data_6034 _audit_creation_method 'SHELXL-2014/7' _shelx_SHELXL_version_number '2014/7' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Ba0.50 O9 V3.50' _chemical_formula_weight 390.96 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ba' 'Ba' -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'V' 'V' 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 3 _space_group_name_H-M_alt 'P 2' _space_group_name_Hall 'P 2y' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z' _cell_length_a 6.1537(16) _cell_length_b 6.1534(18) _cell_length_c 21.356(7) _cell_angle_alpha 90 _cell_angle_beta 90.058(9) _cell_angle_gamma 90 _cell_volume 808.7(4) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 3.211 _exptl_crystal_F_000 722 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_absorpt_coefficient_mu 6.340 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_absorpt_special_details ? _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 7344 _diffrn_reflns_av_unetI/netI 0.0333 _diffrn_reflns_av_R_equivalents 0.0235 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 2.861 _diffrn_reflns_theta_max 27.552 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measured_fraction_theta_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_point_group_measured_fraction_full 0.999 _reflns_number_total 3711 _reflns_number_gt 3652 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.833 _reflns_Friedel_fraction_max 0.999 _reflns_Friedel_fraction_full 1.000 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refined as a 2-component twin. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0498P)^2^+17.2496P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens . _refine_ls_hydrogen_treatment undef _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_abs_structure_details ; Flack x determined using 1569 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.030(19) _chemical_absolute_configuration ? _refine_ls_number_reflns 3711 _refine_ls_number_parameters 189 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0586 _refine_ls_R_factor_gt 0.0573 _refine_ls_wR_factor_ref 0.1464 _refine_ls_wR_factor_gt 0.1455 _refine_ls_goodness_of_fit_ref 1.097 _refine_ls_restrained_S_all 1.097 _refine_ls_shift/su_max 0.301 _refine_ls_shift/su_mean 0.004 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Ba1 Ba 0.5000 0.8022(11) 0.0000 0.027(2) Uani 0.300(10) 2 d S T P . . Ba2 Ba 0.5000 0.6404(12) 0.0000 0.022(3) Uani 0.246(11) 2 d S T P . . Ba3 Ba 0.2493(10) 0.5916(10) 0.4965(3) 0.0369(19) Uani 0.267(7) 1 d . . P . . Ba4 Ba 0.0821(8) 0.2447(13) 0.5015(4) 0.0301(14) Uani 0.250(5) 1 d . . P . . Ba5 Ba 0.145(3) 0.4976(18) -0.0068(5) 0.065(5) Uani 0.177(8) 1 d . . P . . Ba6 Ba 0.1535(16) 0.998(2) 0.0026(5) 0.033(3) Uani 0.156(7) 1 d . . P . . V1 V 0.5108(6) 0.2444(7) 0.25019(11) 0.0086(5) Uani 1 1 d . . . . . V2 V 0.0857(5) 0.9687(5) 0.31442(19) 0.0104(7) Uani 1 1 d . . . . . V3 V -0.0598(5) 0.5222(5) 0.31388(19) 0.0125(7) Uani 1 1 d . . . . . V4 V 0.7867(5) 0.8174(6) 0.18590(17) 0.0114(7) Uani 1 1 d . . . . . V5 V 0.2381(6) 0.6710(5) 0.18574(19) 0.0125(7) Uani 1 1 d . . . . . V6 V 1.0097(7) 0.2447(6) 0.18141(12) 0.0114(5) Uani 1 1 d . . . . . V7 V 0.5125(6) 0.7467(6) 0.31852(13) 0.0108(5) Uani 1 1 d . . . . . O1 O 0.402(2) 0.045(3) 0.3006(6) 0.012(3) Uiso 1 1 d . . . . . O2 O 0.721(2) 0.133(2) 0.1962(6) 0.014(3) Uiso 1 1 d . . . . . O3 O 0.314(2) 0.360(3) 0.2007(6) 0.011(3) Uiso 1 1 d . . . . . O4 O 0.634(2) 0.444(2) 0.3038(6) 0.011(3) Uiso 1 1 d . . . . . O5 O 0.203(2) 0.664(2) 0.2995(6) 0.005(3) Uiso 1 1 d . . . . . O6 O -0.184(3) 0.813(3) 0.2959(8) 0.023(4) Uiso 1 1 d . . . . . O7 O 0.081(2) 0.944(2) 0.2055(6) 0.010(3) Uiso 1 1 d . . . . . O8 O 0.938(2) 0.553(3) 0.1993(7) 0.019(4) Uiso 1 1 d . . . . . O9 O 0.019(2) 1.249(2) 0.2881(4) 0.008(2) Uiso 1 1 d . . . . . O10 O 0.504(3) 0.742(3) 0.2132(5) 0.015(2) Uiso 1 1 d . . . . . O11 O -0.037(3) 0.503(3) 0.3890(7) 0.020(3) Uiso 1 1 d . . . . . O12 O 0.078(2) 0.997(2) 0.3888(6) 0.014(3) Uiso 1 1 d . . . . . O13 O 0.264(3) 0.678(3) 0.1113(7) 0.019(3) Uiso 1 1 d . . . . . O14 O 0.994(4) 0.243(3) 0.1063(5) 0.024(2) Uiso 1 1 d . . . . . O15 O 0.771(3) 0.795(3) 0.1109(8) 0.024(3) Uiso 1 1 d . . . . . O16 O 0.524(3) 0.747(3) 0.3944(5) 0.022(3) Uiso 1 1 d . . . . . OW1 O 0.463(5) 0.214(4) 0.5732(11) 0.068(7) Uiso 1 1 d . . . . . OW2 O 0.508(6) 0.187(4) -0.0708(11) 0.073(7) Uiso 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ba1 0.045(4) 0.014(4) 0.024(3) 0.000 0.004(3) 0.000 Ba2 0.036(5) 0.014(5) 0.017(4) 0.000 0.010(3) 0.000 Ba3 0.037(3) 0.049(4) 0.025(3) 0.005(3) 0.002(3) -0.011(3) Ba4 0.043(2) 0.026(2) 0.021(2) -0.003(2) 0.005(3) 0.016(3) Ba5 0.145(14) 0.032(6) 0.018(5) -0.013(5) -0.002(6) -0.017(6) Ba6 0.021(4) 0.058(7) 0.020(5) 0.000(6) 0.000(4) -0.002(4) V1 0.0047(10) 0.0059(9) 0.0151(10) 0.0010(14) 0.0007(15) 0.0004(9) V2 0.0068(14) 0.0038(15) 0.0207(17) -0.0017(14) -0.0004(13) -0.0060(11) V3 0.0084(15) 0.0133(17) 0.0158(16) 0.0019(15) -0.0019(13) 0.0010(11) V4 0.0040(13) 0.0176(17) 0.0126(14) 0.0016(15) 0.0004(13) 0.0001(12) V5 0.0098(15) 0.0014(14) 0.0263(18) 0.0037(15) 0.0038(16) -0.0023(11) V6 0.0091(11) 0.0095(9) 0.0156(11) 0.0026(16) 0.0010(18) -0.0014(9) V7 0.0066(11) 0.0070(9) 0.0189(11) -0.0005(17) -0.0002(16) -0.0030(9) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ba1 Ba2 0.996(10) . ? Ba1 Ba6 2.449(11) 2_655 ? Ba1 Ba6 2.449(11) . ? Ba1 OW2 2.81(2) 2_665 ? Ba1 OW2 2.81(2) 1_565 ? Ba1 Ba5 2.884(16) . ? Ba1 Ba5 2.884(16) 2_655 ? Ba1 O13 2.890(16) . ? Ba1 O13 2.890(16) 2_655 ? Ba1 O15 2.896(17) 2_655 ? Ba1 O15 2.896(17) . ? Ba1 Ba6 4.198(10) 1_655 ? Ba2 Ba5 2.361(17) . ? Ba2 Ba5 2.361(17) 2_655 ? Ba2 O13 2.796(16) . ? Ba2 O13 2.796(16) 2_655 ? Ba2 O15 3.047(17) 2_655 ? Ba2 O15 3.047(17) . ? Ba2 Ba6 3.064(13) 2_655 ? Ba2 Ba6 3.064(13) . ? Ba2 OW2 3.17(3) 2_655 ? Ba2 OW2 3.17(3) . ? Ba2 Ba5 4.065(19) 2 ? Ba3 Ba4 2.372(10) . ? Ba3 O11 2.826(16) 2_556 ? Ba3 O16 2.877(16) 2_656 ? Ba3 O16 2.922(16) . ? Ba3 O11 2.945(17) . ? Ba3 Ba4 2.952(9) 2_556 ? Ba3 Ba3 3.072(12) 2_556 ? Ba3 Ba3 3.089(12) 2_656 ? Ba3 OW1 3.13(3) . ? Ba3 OW1 3.28(3) 2_656 ? Ba3 Ba4 4.150(10) 1_565 ? Ba3 Ba4 4.507(11) 2_566 ? Ba4 Ba4 1.012(10) 2_556 ? Ba4 OW1 2.80(3) . ? Ba4 O11 2.839(18) 2_556 ? Ba4 O12 2.849(17) 1_545 ? Ba4 Ba3 2.952(9) 2_556 ? Ba4 O12 2.964(16) 2_546 ? Ba4 O11 2.971(17) . ? Ba4 OW1 3.23(3) 2_656 ? Ba4 Ba3 4.150(10) 1_545 ? Ba4 Ba3 4.507(11) 2_546 ? Ba4 Ba3 4.635(9) 2_656 ? Ba5 Ba5 1.80(4) 2 ? Ba5 O14 2.77(2) 2_655 ? Ba5 O13 2.85(2) . ? Ba5 O15 2.93(2) 2_655 ? Ba5 O14 3.02(2) 1_455 ? Ba5 Ba6 3.082(12) 1_545 ? Ba5 Ba6 3.085(12) . ? Ba5 OW2 3.24(3) . ? Ba5 OW2 3.31(3) 2_655 ? Ba5 Ba6 3.582(13) 2_545 ? Ba6 Ba6 1.893(19) 2 ? Ba6 O15 2.77(2) 2_655 ? Ba6 OW2 2.79(3) 2_665 ? Ba6 O14 2.85(2) 1_465 ? Ba6 O14 2.92(2) 2_665 ? Ba6 OW2 2.93(3) 1_565 ? Ba6 Ba5 3.082(12) 1_565 ? Ba6 O13 3.12(2) . ? Ba6 Ba5 3.582(13) 2_565 ? V1 O3 1.760(14) . ? V1 O1 1.765(16) . ? V1 O4 1.843(15) . ? V1 O2 1.865(14) . ? V2 O12 1.600(14) . ? V2 O9 1.861(15) . ? V2 O6 1.957(19) . ? V2 O1 2.026(15) 1_565 ? V2 O5 2.034(15) . ? V2 O7 2.330(14) . ? V2 V3 2.890(3) . ? V2 V7 2.962(5) . ? V3 O11 1.615(15) . ? V3 O9 1.834(15) 1_545 ? V3 O5 1.865(14) . ? V3 O4 1.953(14) 1_455 ? V3 O6 1.98(2) . ? V3 O8 2.455(16) 1_455 ? V3 V7 2.974(5) 1_455 ? V4 O15 1.610(16) . ? V4 O10 1.89(2) . ? V4 O8 1.896(18) . ? V4 O2 1.994(16) 1_565 ? V4 O7 2.014(15) 1_655 ? V4 O6 2.357(17) 1_655 ? V4 V5 2.920(4) 1_655 ? V4 V6 2.967(5) 1_565 ? V5 O13 1.598(15) . ? V5 O10 1.79(2) . ? V5 O7 1.986(15) . ? V5 O3 1.994(16) . ? V5 O8 2.009(16) 1_455 ? V5 O5 2.439(13) . ? V5 V4 2.920(4) 1_455 ? V5 V6 2.978(5) 1_455 ? V6 O14 1.607(12) . ? V6 O2 1.930(16) . ? V6 O7 1.969(16) 1_645 ? V6 O8 1.984(18) . ? V6 O3 2.041(15) 1_655 ? V6 O9 2.279(10) 1_645 ? V6 V4 2.967(5) 1_545 ? V6 V5 2.978(5) 1_655 ? V7 O16 1.622(12) . ? V7 O6 1.970(19) 1_655 ? V7 O1 1.991(16) 1_565 ? V7 O5 2.011(14) . ? V7 O4 2.032(15) . ? V7 O10 2.251(11) . ? V7 V3 2.974(5) 1_655 ? O1 V7 1.991(16) 1_545 ? O1 V2 2.026(15) 1_545 ? O2 V4 1.994(16) 1_545 ? O3 V6 2.041(15) 1_455 ? O4 V3 1.953(14) 1_655 ? O6 V7 1.970(19) 1_455 ? O6 V4 2.357(17) 1_455 ? O7 V6 1.969(16) 1_465 ? O7 V4 2.014(15) 1_455 ? O8 V5 2.009(16) 1_655 ? O8 V3 2.455(16) 1_655 ? O9 V3 1.834(15) 1_565 ? O9 V6 2.279(10) 1_465 ? O11 Ba3 2.826(16) 2_556 ? O11 Ba4 2.839(18) 2_556 ? O12 Ba4 2.849(17) 1_565 ? O12 Ba4 2.964(16) 2_566 ? O14 Ba5 2.77(2) 2_655 ? O14 Ba6 2.85(2) 1_645 ? O14 Ba6 2.92(2) 2_645 ? O14 Ba5 3.02(2) 1_655 ? O15 Ba6 2.77(2) 2_655 ? O15 Ba5 2.93(2) 2_655 ? O16 Ba3 2.877(16) 2_656 ? OW1 Ba4 3.23(3) 2_656 ? OW1 Ba3 3.28(3) 2_656 ? OW2 Ba6 2.79(3) 2_645 ? OW2 Ba1 2.81(2) 1_545 ? OW2 Ba6 2.93(3) 1_545 ? OW2 Ba5 3.31(3) 2_655 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Ba2 Ba1 Ba6 119.4(3) . 2_655 ? Ba2 Ba1 Ba6 119.4(3) . . ? Ba6 Ba1 Ba6 121.1(6) 2_655 . ? Ba2 Ba1 OW2 147.4(5) . 2_665 ? Ba6 Ba1 OW2 67.3(8) 2_655 2_665 ? Ba6 Ba1 OW2 63.8(8) . 2_665 ? Ba2 Ba1 OW2 147.4(5) . 1_565 ? Ba6 Ba1 OW2 63.8(8) 2_655 1_565 ? Ba6 Ba1 OW2 67.3(8) . 1_565 ? OW2 Ba1 OW2 65.2(10) 2_665 1_565 ? Ba2 Ba1 Ba5 49.5(3) . . ? Ba6 Ba1 Ba5 168.1(5) 2_655 . ? Ba6 Ba1 Ba5 70.2(3) . . ? OW2 Ba1 Ba5 124.1(8) 2_665 . ? OW2 Ba1 Ba5 122.3(7) 1_565 . ? Ba2 Ba1 Ba5 49.5(3) . 2_655 ? Ba6 Ba1 Ba5 70.2(3) 2_655 2_655 ? Ba6 Ba1 Ba5 168.1(5) . 2_655 ? OW2 Ba1 Ba5 122.3(7) 2_665 2_655 ? OW2 Ba1 Ba5 124.1(8) 1_565 2_655 ? Ba5 Ba1 Ba5 98.9(6) . 2_655 ? Ba2 Ba1 O13 74.6(4) . . ? Ba6 Ba1 O13 126.0(4) 2_655 . ? Ba6 Ba1 O13 70.9(4) . . ? OW2 Ba1 O13 76.8(7) 2_665 . ? OW2 Ba1 O13 132.5(7) 1_565 . ? Ba5 Ba1 O13 59.2(4) . . ? Ba5 Ba1 O13 99.7(5) 2_655 . ? Ba2 Ba1 O13 74.6(4) . 2_655 ? Ba6 Ba1 O13 70.9(4) 2_655 2_655 ? Ba6 Ba1 O13 126.0(4) . 2_655 ? OW2 Ba1 O13 132.5(7) 2_665 2_655 ? OW2 Ba1 O13 76.8(7) 1_565 2_655 ? Ba5 Ba1 O13 99.7(5) . 2_655 ? Ba5 Ba1 O13 59.2(4) 2_655 2_655 ? O13 Ba1 O13 149.2(7) . 2_655 ? Ba2 Ba1 O15 89.1(4) . 2_655 ? Ba6 Ba1 O15 119.3(5) 2_655 2_655 ? Ba6 Ba1 O15 61.7(5) . 2_655 ? OW2 Ba1 O15 116.3(7) 2_665 2_655 ? OW2 Ba1 O15 65.4(7) 1_565 2_655 ? Ba5 Ba1 O15 60.8(4) . 2_655 ? Ba5 Ba1 O15 117.8(5) 2_655 2_655 ? O13 Ba1 O15 112.3(4) . 2_655 ? O13 Ba1 O15 67.2(4) 2_655 2_655 ? Ba2 Ba1 O15 89.1(4) . . ? Ba6 Ba1 O15 61.7(5) 2_655 . ? Ba6 Ba1 O15 119.3(5) . . ? OW2 Ba1 O15 65.4(7) 2_665 . ? OW2 Ba1 O15 116.3(7) 1_565 . ? Ba5 Ba1 O15 117.8(5) . . ? Ba5 Ba1 O15 60.8(4) 2_655 . ? O13 Ba1 O15 67.2(4) . . ? O13 Ba1 O15 112.3(4) 2_655 . ? O15 Ba1 O15 178.1(8) 2_655 . ? Ba2 Ba1 Ba6 106.7(2) . 1_655 ? Ba6 Ba1 Ba6 12.95(19) 2_655 1_655 ? Ba6 Ba1 Ba6 133.8(5) . 1_655 ? OW2 Ba1 Ba6 76.6(8) 2_665 1_655 ? OW2 Ba1 Ba6 75.4(8) 1_565 1_655 ? Ba5 Ba1 Ba6 156.0(4) . 1_655 ? Ba5 Ba1 Ba6 57.3(3) 2_655 1_655 ? O13 Ba1 Ba6 123.2(4) . 1_655 ? O13 Ba1 Ba6 66.7(4) 2_655 1_655 ? O15 Ba1 Ba6 124.5(4) 2_655 1_655 ? O15 Ba1 Ba6 56.1(4) . 1_655 ? Ba1 Ba2 Ba5 111.8(4) . . ? Ba1 Ba2 Ba5 111.9(4) . 2_655 ? Ba5 Ba2 Ba5 136.3(7) . 2_655 ? Ba1 Ba2 O13 85.3(4) . . ? Ba5 Ba2 O13 66.5(4) . . ? Ba5 Ba2 O13 117.4(5) 2_655 . ? Ba1 Ba2 O13 85.3(4) . 2_655 ? Ba5 Ba2 O13 117.4(5) . 2_655 ? Ba5 Ba2 O13 66.5(4) 2_655 2_655 ? O13 Ba2 O13 170.6(8) . 2_655 ? Ba1 Ba2 O15 71.9(4) . 2_655 ? Ba5 Ba2 O15 64.0(5) . 2_655 ? Ba5 Ba2 O15 132.0(4) 2_655 2_655 ? O13 Ba2 O15 110.6(4) . 2_655 ? O13 Ba2 O15 66.3(4) 2_655 2_655 ? Ba1 Ba2 O15 71.9(4) . . ? Ba5 Ba2 O15 132.0(4) . . ? Ba5 Ba2 O15 64.0(5) 2_655 . ? O13 Ba2 O15 66.3(4) . . ? O13 Ba2 O15 110.6(4) 2_655 . ? O15 Ba2 O15 143.7(7) 2_655 . ? Ba1 Ba2 Ba6 44.1(2) . 2_655 ? Ba5 Ba2 Ba6 155.6(5) . 2_655 ? Ba5 Ba2 Ba6 67.9(3) 2_655 2_655 ? O13 Ba2 Ba6 108.6(5) . 2_655 ? O13 Ba2 Ba6 64.1(4) 2_655 2_655 ? O15 Ba2 Ba6 98.2(4) 2_655 2_655 ? O15 Ba2 Ba6 53.9(4) . 2_655 ? Ba1 Ba2 Ba6 44.1(2) . . ? Ba5 Ba2 Ba6 67.9(3) . . ? Ba5 Ba2 Ba6 155.6(5) 2_655 . ? O13 Ba2 Ba6 64.1(4) . . ? O13 Ba2 Ba6 108.6(5) 2_655 . ? O15 Ba2 Ba6 53.9(4) 2_655 . ? O15 Ba2 Ba6 98.2(4) . . ? Ba6 Ba2 Ba6 88.2(5) 2_655 . ? Ba1 Ba2 OW2 151.5(4) . 2_655 ? Ba5 Ba2 OW2 71.8(7) . 2_655 ? Ba5 Ba2 OW2 70.0(8) 2_655 2_655 ? O13 Ba2 OW2 70.0(6) . 2_655 ? O13 Ba2 OW2 119.0(7) 2_655 2_655 ? O15 Ba2 OW2 129.4(7) 2_655 2_655 ? O15 Ba2 OW2 84.9(6) . 2_655 ? Ba6 Ba2 OW2 130.6(7) 2_655 2_655 ? Ba6 Ba2 OW2 127.7(7) . 2_655 ? Ba1 Ba2 OW2 151.5(4) . . ? Ba5 Ba2 OW2 70.0(8) . . ? Ba5 Ba2 OW2 71.8(7) 2_655 . ? O13 Ba2 OW2 119.0(7) . . ? O13 Ba2 OW2 70.0(6) 2_655 . ? O15 Ba2 OW2 84.9(6) 2_655 . ? O15 Ba2 OW2 129.4(7) . . ? Ba6 Ba2 OW2 127.7(7) 2_655 . ? Ba6 Ba2 OW2 130.6(7) . . ? OW2 Ba2 OW2 56.9(9) 2_655 . ? Ba1 Ba2 Ba5 102.48(19) . 2 ? Ba5 Ba2 Ba5 10.9(3) . 2 ? Ba5 Ba2 Ba5 145.2(5) 2_655 2 ? O13 Ba2 Ba5 58.7(4) . 2 ? O13 Ba2 Ba5 123.7(4) 2_655 2 ? O15 Ba2 Ba5 64.0(4) 2_655 2 ? O15 Ba2 Ba5 124.9(4) . 2 ? Ba6 Ba2 Ba5 146.6(4) 2_655 2 ? Ba6 Ba2 Ba5 58.4(2) . 2 ? OW2 Ba2 Ba5 77.1(7) 2_655 2 ? OW2 Ba2 Ba5 80.9(7) . 2 ? Ba4 Ba3 O11 65.5(4) . 2_556 ? Ba4 Ba3 O16 118.2(5) . 2_656 ? O11 Ba3 O16 65.7(5) 2_556 2_656 ? Ba4 Ba3 O16 125.4(5) . . ? O11 Ba3 O16 167.7(5) 2_556 . ? O16 Ba3 O16 102.4(5) 2_656 . ? Ba4 Ba3 O11 66.9(4) . . ? O11 Ba3 O11 111.2(4) 2_556 . ? O16 Ba3 O11 169.2(6) 2_656 . ? O16 Ba3 O11 79.9(4) . . ? Ba4 Ba3 Ba4 18.0(2) . 2_556 ? O11 Ba3 Ba4 61.8(4) 2_556 2_556 ? O16 Ba3 Ba4 124.3(4) 2_656 2_556 ? O16 Ba3 Ba4 130.4(5) . 2_556 ? O11 Ba3 Ba4 57.6(4) . 2_556 ? Ba4 Ba3 Ba3 64.2(2) . 2_556 ? O11 Ba3 Ba3 59.7(4) 2_556 2_556 ? O16 Ba3 Ba3 116.4(4) 2_656 2_556 ? O16 Ba3 Ba3 127.9(4) . 2_556 ? O11 Ba3 Ba3 56.0(4) . 2_556 ? Ba4 Ba3 Ba3 46.32(19) 2_556 2_556 ? Ba4 Ba3 Ba3 115.6(2) . 2_656 ? O11 Ba3 Ba3 114.9(4) 2_556 2_656 ? O16 Ba3 Ba3 58.5(4) 2_656 2_656 ? O16 Ba3 Ba3 57.1(4) . 2_656 ? O11 Ba3 Ba3 129.4(4) . 2_656 ? Ba4 Ba3 Ba3 133.57(19) 2_556 2_656 ? Ba3 Ba3 Ba3 174.5(5) 2_556 2_656 ? Ba4 Ba3 OW1 59.4(6) . . ? O11 Ba3 OW1 66.2(6) 2_556 . ? O16 Ba3 OW1 67.7(6) 2_656 . ? O16 Ba3 OW1 113.0(7) . . ? O11 Ba3 OW1 121.4(6) . . ? Ba4 Ba3 OW1 75.3(6) 2_556 . ? Ba3 Ba3 OW1 113.2(6) 2_556 . ? Ba3 Ba3 OW1 63.7(5) 2_656 . ? Ba4 Ba3 OW1 67.6(6) . 2_656 ? O11 Ba3 OW1 120.4(6) 2_556 2_656 ? O16 Ba3 OW1 110.0(6) 2_656 2_656 ? O16 Ba3 OW1 65.1(6) . 2_656 ? O11 Ba3 OW1 80.7(6) . 2_656 ? Ba4 Ba3 OW1 82.4(6) 2_556 2_656 ? Ba3 Ba3 OW1 124.2(6) 2_556 2_656 ? Ba3 Ba3 OW1 58.8(5) 2_656 2_656 ? OW1 Ba3 OW1 59.1(8) . 2_656 ? Ba4 Ba3 Ba4 139.7(3) . 1_565 ? O11 Ba3 Ba4 92.9(4) 2_556 1_565 ? O16 Ba3 Ba4 77.1(4) 2_656 1_565 ? O16 Ba3 Ba4 81.1(4) . 1_565 ? O11 Ba3 Ba4 93.0(4) . 1_565 ? Ba4 Ba3 Ba4 121.9(2) 2_556 1_565 ? Ba3 Ba3 Ba4 75.58(11) 2_556 1_565 ? Ba3 Ba3 Ba4 104.27(12) 2_656 1_565 ? OW1 Ba3 Ba4 144.0(5) . 1_565 ? OW1 Ba3 Ba4 146.2(5) 2_656 1_565 ? Ba4 Ba3 Ba4 127.3(2) . 2_566 ? O11 Ba3 Ba4 87.4(4) 2_556 2_566 ? O16 Ba3 Ba4 85.1(4) 2_656 2_566 ? O16 Ba3 Ba4 88.7(4) . 2_566 ? O11 Ba3 Ba4 84.4(4) . 2_566 ? Ba4 Ba3 Ba4 109.4(2) 2_556 2_566 ? Ba3 Ba3 Ba4 63.10(10) 2_556 2_566 ? Ba3 Ba3 Ba4 116.84(10) 2_656 2_566 ? OW1 Ba3 Ba4 147.8(5) . 2_566 ? OW1 Ba3 Ba4 151.7(5) 2_656 2_566 ? Ba4 Ba3 Ba4 12.57(13) 1_565 2_566 ? Ba4 Ba4 Ba3 115.5(2) 2_556 . ? Ba4 Ba4 OW1 150.3(13) 2_556 . ? Ba3 Ba4 OW1 73.9(6) . . ? Ba4 Ba4 O11 87.5(9) 2_556 2_556 ? Ba3 Ba4 O11 65.0(4) . 2_556 ? OW1 Ba4 O11 70.7(7) . 2_556 ? Ba4 Ba4 O12 86.5(10) 2_556 1_545 ? Ba3 Ba4 O12 116.5(5) . 1_545 ? OW1 Ba4 O12 115.6(6) . 1_545 ? O11 Ba4 O12 173.7(4) 2_556 1_545 ? Ba4 Ba4 Ba3 46.5(2) 2_556 2_556 ? Ba3 Ba4 Ba3 69.5(3) . 2_556 ? OW1 Ba4 Ba3 128.1(6) . 2_556 ? O11 Ba4 Ba3 61.1(4) 2_556 2_556 ? O12 Ba4 Ba3 113.2(4) 1_545 2_556 ? Ba4 Ba4 O12 73.6(9) 2_556 2_546 ? Ba3 Ba4 O12 130.1(5) . 2_546 ? OW1 Ba4 O12 79.2(6) . 2_546 ? O11 Ba4 O12 66.7(4) 2_556 2_546 ? O12 Ba4 O12 112.9(6) 1_545 2_546 ? Ba3 Ba4 O12 97.5(4) 2_556 2_546 ? Ba4 Ba4 O11 72.7(9) 2_556 . ? Ba3 Ba4 O11 65.8(4) . . ? OW1 Ba4 O11 133.1(7) . . ? O11 Ba4 O11 110.1(6) 2_556 . ? O12 Ba4 O11 66.5(4) 1_545 . ? Ba3 Ba4 O11 57.0(3) 2_556 . ? O12 Ba4 O11 146.2(4) 2_546 . ? Ba4 Ba4 OW1 146.5(13) 2_556 2_656 ? Ba3 Ba4 OW1 69.7(5) . 2_656 ? OW1 Ba4 OW1 62.7(8) . 2_656 ? O11 Ba4 OW1 121.6(6) 2_556 2_656 ? O12 Ba4 OW1 63.8(6) 1_545 2_656 ? Ba3 Ba4 OW1 130.4(6) 2_556 2_656 ? O12 Ba4 OW1 130.5(6) 2_546 2_656 ? O11 Ba4 OW1 81.1(6) . 2_656 ? Ba4 Ba4 Ba3 104.23(13) 2_556 1_545 ? Ba3 Ba4 Ba3 139.7(3) . 1_545 ? OW1 Ba4 Ba3 75.1(6) . 1_545 ? O11 Ba4 Ba3 125.9(4) 2_556 1_545 ? O12 Ba4 Ba3 57.4(3) 1_545 1_545 ? Ba3 Ba4 Ba3 150.7(2) 2_556 1_545 ? O12 Ba4 Ba3 66.7(3) 2_546 1_545 ? O11 Ba4 Ba3 123.9(4) . 1_545 ? OW1 Ba4 Ba3 73.5(5) 2_656 1_545 ? Ba4 Ba4 Ba3 63.20(11) 2_556 2_546 ? Ba3 Ba4 Ba3 177.6(3) . 2_546 ? OW1 Ba4 Ba3 108.3(6) . 2_546 ? O11 Ba4 Ba3 116.5(4) 2_556 2_546 ? O12 Ba4 Ba3 61.8(3) 1_545 2_546 ? Ba3 Ba4 Ba3 109.4(2) 2_556 2_546 ? O12 Ba4 Ba3 51.9(3) 2_546 2_546 ? O11 Ba4 Ba3 111.9(4) . 2_546 ? OW1 Ba4 Ba3 110.2(5) 2_656 2_546 ? Ba3 Ba4 Ba3 41.31(18) 1_545 2_546 ? Ba4 Ba4 Ba3 152.42(18) 2_556 2_656 ? Ba3 Ba4 Ba3 36.95(19) . 2_656 ? OW1 Ba4 Ba3 44.3(5) . 2_656 ? O11 Ba4 Ba3 79.8(4) 2_556 2_656 ? O12 Ba4 Ba3 105.1(4) 1_545 2_656 ? Ba3 Ba4 Ba3 106.3(3) 2_556 2_656 ? O12 Ba4 Ba3 121.8(4) 2_546 2_656 ? O11 Ba4 Ba3 88.8(4) . 2_656 ? OW1 Ba4 Ba3 42.4(5) 2_656 2_656 ? Ba3 Ba4 Ba3 103.06(13) 1_545 2_656 ? Ba3 Ba4 Ba3 144.3(2) 2_546 2_656 ? Ba5 Ba5 Ba2 154.7(5) 2 . ? Ba5 Ba5 O14 79.7(9) 2 2_655 ? Ba2 Ba5 O14 122.8(8) . 2_655 ? Ba5 Ba5 O13 96.4(8) 2 . ? Ba2 Ba5 O13 64.1(5) . . ? O14 Ba5 O13 167.5(7) 2_655 . ? Ba5 Ba5 Ba1 137.8(4) 2 . ? Ba2 Ba5 Ba1 18.7(2) . . ? O14 Ba5 Ba1 129.6(7) 2_655 . ? O13 Ba5 Ba1 60.5(4) . . ? Ba5 Ba5 O15 107.3(8) 2 2_655 ? Ba2 Ba5 O15 69.4(5) . 2_655 ? O14 Ba5 O15 79.9(6) 2_655 2_655 ? O13 Ba5 O15 112.6(7) . 2_655 ? Ba1 Ba5 O15 59.8(4) . 2_655 ? Ba5 Ba5 O14 64.4(7) 2 1_455 ? Ba2 Ba5 O14 115.4(6) . 1_455 ? O14 Ba5 O14 103.0(8) 2_655 1_455 ? O13 Ba5 O14 64.8(5) . 1_455 ? Ba1 Ba5 O14 122.0(6) . 1_455 ? O15 Ba5 O14 170.2(8) 2_655 1_455 ? Ba5 Ba5 Ba6 90.4(4) 2 1_545 ? Ba2 Ba5 Ba6 110.5(7) . 1_545 ? O14 Ba5 Ba6 59.5(5) 2_655 1_545 ? O13 Ba5 Ba6 109.0(5) . 1_545 ? Ba1 Ba5 Ba6 129.2(7) . 1_545 ? O15 Ba5 Ba6 132.0(5) 2_655 1_545 ? O14 Ba5 Ba6 55.7(5) 1_455 1_545 ? Ba5 Ba5 Ba6 90.4(4) 2 . ? Ba2 Ba5 Ba6 66.9(4) . . ? O14 Ba5 Ba6 128.2(6) 2_655 . ? O13 Ba5 Ba6 63.3(4) . . ? Ba1 Ba5 Ba6 48.3(3) . . ? O15 Ba5 Ba6 54.8(5) 2_655 . ? O14 Ba5 Ba6 118.1(5) 1_455 . ? Ba6 Ba5 Ba6 172.2(5) 1_545 . ? Ba5 Ba5 OW2 138.4(8) 2 . ? Ba2 Ba5 OW2 66.8(7) . . ? O14 Ba5 OW2 63.6(8) 2_655 . ? O13 Ba5 OW2 115.1(9) . . ? Ba1 Ba5 OW2 83.2(8) . . ? O15 Ba5 OW2 85.7(7) 2_655 . ? O14 Ba5 OW2 104.1(7) 1_455 . ? Ba6 Ba5 OW2 55.1(6) 1_545 . ? Ba6 Ba5 OW2 127.1(8) . . ? Ba5 Ba5 OW2 123.8(8) 2 2_655 ? Ba2 Ba5 OW2 65.6(7) . 2_655 ? O14 Ba5 OW2 104.8(7) 2_655 2_655 ? O13 Ba5 OW2 67.4(6) . 2_655 ? Ba1 Ba5 OW2 82.0(7) . 2_655 ? O15 Ba5 OW2 128.7(8) 2_655 2_655 ? O14 Ba5 OW2 60.0(7) 1_455 2_655 ? Ba6 Ba5 OW2 51.7(6) 1_545 2_655 ? Ba6 Ba5 OW2 122.1(7) . 2_655 ? OW2 Ba5 OW2 55.0(8) . 2_655 ? Ba5 Ba5 Ba6 59.4(3) 2 2_545 ? Ba2 Ba5 Ba6 142.4(5) . 2_545 ? O14 Ba5 Ba6 51.5(5) 2_655 2_545 ? O13 Ba5 Ba6 116.3(6) . 2_545 ? Ba1 Ba5 Ba6 160.9(5) . 2_545 ? O15 Ba5 Ba6 130.3(6) 2_655 2_545 ? O14 Ba5 Ba6 51.5(5) 1_455 2_545 ? Ba6 Ba5 Ba6 31.9(4) 1_545 2_545 ? Ba6 Ba5 Ba6 149.8(6) . 2_545 ? OW2 Ba5 Ba6 81.8(6) . 2_545 ? OW2 Ba5 Ba6 79.8(6) 2_655 2_545 ? Ba6 Ba6 Ba1 150.2(3) 2 . ? Ba6 Ba6 O15 96.7(8) 2 2_655 ? Ba1 Ba6 O15 67.1(5) . 2_655 ? Ba6 Ba6 OW2 140.8(9) 2 2_665 ? Ba1 Ba6 OW2 64.4(7) . 2_665 ? O15 Ba6 OW2 121.3(8) 2_655 2_665 ? Ba6 Ba6 O14 72.7(8) 2 1_465 ? Ba1 Ba6 O14 125.3(6) . 1_465 ? O15 Ba6 O14 167.6(7) 2_655 1_465 ? OW2 Ba6 O14 68.5(8) 2_665 1_465 ? Ba6 Ba6 O14 69.1(7) 2 2_665 ? Ba1 Ba6 O14 120.4(6) . 2_665 ? O15 Ba6 O14 65.6(6) 2_655 2_665 ? OW2 Ba6 O14 115.6(7) 2_665 2_665 ? O14 Ba6 O14 103.8(7) 1_465 2_665 ? Ba6 Ba6 OW2 135.4(9) 2 1_565 ? Ba1 Ba6 OW2 62.2(6) . 1_565 ? O15 Ba6 OW2 65.5(7) 2_655 1_565 ? OW2 Ba6 OW2 63.8(9) 2_665 1_565 ? O14 Ba6 OW2 117.5(8) 1_465 1_565 ? O14 Ba6 OW2 66.3(8) 2_665 1_565 ? Ba6 Ba6 Ba2 133.9(2) 2 . ? Ba1 Ba6 Ba2 16.44(19) . . ? O15 Ba6 Ba2 62.7(4) 2_655 . ? OW2 Ba6 Ba2 77.9(7) 2_665 . ? O14 Ba6 Ba2 129.3(6) 1_465 . ? O14 Ba6 Ba2 124.9(5) 2_665 . ? OW2 Ba6 Ba2 75.9(6) 1_565 . ? Ba6 Ba6 Ba5 88.8(5) 2 1_565 ? Ba1 Ba6 Ba5 120.3(6) . 1_565 ? O15 Ba6 Ba5 113.4(5) 2_655 1_565 ? OW2 Ba6 Ba5 68.4(7) 2_665 1_565 ? O14 Ba6 Ba5 61.1(5) 1_465 1_565 ? O14 Ba6 Ba5 55.0(5) 2_665 1_565 ? OW2 Ba6 Ba5 65.3(7) 1_565 1_565 ? Ba2 Ba6 Ba5 136.7(6) . 1_565 ? Ba6 Ba6 Ba5 88.8(5) 2 . ? Ba1 Ba6 Ba5 61.6(5) . . ? O15 Ba6 Ba5 59.7(5) 2_655 . ? OW2 Ba6 Ba5 117.6(8) 2_665 . ? O14 Ba6 Ba5 124.9(6) 1_465 . ? O14 Ba6 Ba5 117.3(5) 2_665 . ? OW2 Ba6 Ba5 112.0(7) 1_565 . ? Ba2 Ba6 Ba5 45.2(4) . . ? Ba5 Ba6 Ba5 172.2(5) 1_565 . ? Ba6 Ba6 O13 105.1(7) 2 . ? Ba1 Ba6 O13 61.1(4) . . ? O15 Ba6 O13 109.2(7) 2_655 . ? OW2 Ba6 O13 73.4(6) 2_665 . ? O14 Ba6 O13 80.3(5) 1_465 . ? O14 Ba6 O13 171.0(7) 2_665 . ? OW2 Ba6 O13 119.2(7) 1_565 . ? Ba2 Ba6 O13 53.8(4) . . ? Ba5 Ba6 O13 133.1(5) 1_565 . ? Ba5 Ba6 O13 54.7(4) . . ? Ba6 Ba6 Ba5 59.3(3) 2 2_565 ? Ba1 Ba6 Ba5 150.3(4) . 2_565 ? O15 Ba6 Ba5 119.7(6) 2_655 2_565 ? OW2 Ba6 Ba5 90.6(7) 2_665 2_565 ? O14 Ba6 Ba5 49.5(5) 1_465 2_565 ? O14 Ba6 Ba5 54.3(5) 2_665 2_565 ? OW2 Ba6 Ba5 93.1(7) 1_565 2_565 ? Ba2 Ba6 Ba5 166.7(4) . 2_565 ? Ba5 Ba6 Ba5 30.2(6) 1_565 2_565 ? Ba5 Ba6 Ba5 148.1(4) . 2_565 ? O13 Ba6 Ba5 129.4(6) . 2_565 ? O3 V1 O1 112.8(7) . . ? O3 V1 O4 112.8(8) . . ? O1 V1 O4 103.9(5) . . ? O3 V1 O2 104.9(5) . . ? O1 V1 O2 112.5(7) . . ? O4 V1 O2 110.1(7) . . ? O12 V2 O9 101.1(6) . . ? O12 V2 O6 103.2(7) . . ? O9 V2 O6 102.0(7) . . ? O12 V2 O1 98.5(7) . 1_565 ? O9 V2 O1 87.3(7) . 1_565 ? O6 V2 O1 154.1(7) . 1_565 ? O12 V2 O5 105.4(7) . . ? O9 V2 O5 152.3(5) . . ? O6 V2 O5 79.6(7) . . ? O1 V2 O5 81.2(6) 1_565 . ? O12 V2 O7 176.6(7) . . ? O9 V2 O7 75.9(5) . . ? O6 V2 O7 75.9(6) . . ? O1 V2 O7 83.2(5) 1_565 . ? O5 V2 O7 77.8(5) . . ? O12 V2 V3 95.6(6) . . ? O9 V2 V3 144.4(5) . . ? O6 V2 V3 43.2(6) . . ? O1 V2 V3 121.1(5) 1_565 . ? O5 V2 V3 40.0(4) . . ? O7 V2 V3 86.0(4) . . ? O12 V2 V7 92.7(5) . . ? O9 V2 V7 129.1(5) . . ? O6 V2 V7 122.2(6) . . ? O1 V2 V7 42.1(5) 1_565 . ? O5 V2 V7 42.6(4) . . ? O7 V2 V7 90.6(4) . . ? V3 V2 V7 80.58(12) . . ? O11 V3 O9 102.0(7) . 1_545 ? O11 V3 O5 97.2(7) . . ? O9 V3 O5 98.6(6) 1_545 . ? O11 V3 O4 100.0(7) . 1_455 ? O9 V3 O4 89.8(7) 1_545 1_455 ? O5 V3 O4 158.9(6) . 1_455 ? O11 V3 O6 107.0(8) . . ? O9 V3 O6 150.6(6) 1_545 . ? O5 V3 O6 83.1(7) . . ? O4 V3 O6 80.2(7) 1_455 . ? O11 V3 O8 175.4(7) . 1_455 ? O9 V3 O8 76.8(5) 1_545 1_455 ? O5 V3 O8 78.7(6) . 1_455 ? O4 V3 O8 84.5(6) 1_455 1_455 ? O6 V3 O8 74.7(6) . 1_455 ? O11 V3 V2 92.3(6) . . ? O9 V3 V2 142.2(5) 1_545 . ? O5 V3 V2 44.5(4) . . ? O4 V3 V2 122.2(5) 1_455 . ? O6 V3 V2 42.5(6) . . ? O8 V3 V2 86.2(4) 1_455 . ? O11 V3 V7 94.4(6) . 1_455 ? O9 V3 V7 132.1(5) 1_545 1_455 ? O5 V3 V7 123.8(5) . 1_455 ? O4 V3 V7 42.8(4) 1_455 1_455 ? O6 V3 V7 41.1(5) . 1_455 ? O8 V3 V7 89.6(4) 1_455 1_455 ? V2 V3 V7 80.36(12) . 1_455 ? O15 V4 O10 103.3(7) . . ? O15 V4 O8 95.9(8) . . ? O10 V4 O8 101.2(8) . . ? O15 V4 O2 100.6(8) . 1_565 ? O10 V4 O2 91.0(7) . 1_565 ? O8 V4 O2 156.6(7) . 1_565 ? O15 V4 O7 107.1(8) . 1_655 ? O10 V4 O7 148.9(6) . 1_655 ? O8 V4 O7 82.0(6) . 1_655 ? O2 V4 O7 77.4(6) 1_565 1_655 ? O15 V4 O6 174.3(8) . 1_655 ? O10 V4 O6 76.1(6) . 1_655 ? O8 V4 O6 78.7(6) . 1_655 ? O2 V4 O6 85.2(6) 1_565 1_655 ? O7 V4 O6 74.3(6) 1_655 1_655 ? O15 V4 V5 91.6(7) . 1_655 ? O10 V4 V5 143.1(6) . 1_655 ? O8 V4 V5 43.1(5) . 1_655 ? O2 V4 V5 119.5(5) 1_565 1_655 ? O7 V4 V5 42.7(4) 1_655 1_655 ? O6 V4 V5 85.8(5) 1_655 1_655 ? O15 V4 V6 94.2(7) . 1_565 ? O10 V4 V6 130.7(6) . 1_565 ? O8 V4 V6 122.7(5) . 1_565 ? O2 V4 V6 40.1(4) 1_565 1_565 ? O7 V4 V6 41.3(4) 1_655 1_565 ? O6 V4 V6 90.4(5) 1_655 1_565 ? V5 V4 V6 80.41(11) 1_655 1_565 ? O13 V5 O10 103.1(8) . . ? O13 V5 O7 103.8(8) . . ? O10 V5 O7 99.7(8) . . ? O13 V5 O3 99.2(7) . . ? O10 V5 O3 88.3(7) . . ? O7 V5 O3 153.1(6) . . ? O13 V5 O8 104.2(8) . 1_455 ? O10 V5 O8 151.9(6) . 1_455 ? O7 V5 O8 80.0(6) . 1_455 ? O3 V5 O8 81.0(7) . 1_455 ? O13 V5 O5 179.2(7) . . ? O10 V5 O5 76.1(5) . . ? O7 V5 O5 76.1(5) . . ? O3 V5 O5 81.1(5) . . ? O8 V5 O5 76.6(5) 1_455 . ? O13 V5 V4 95.1(6) . 1_455 ? O10 V5 V4 142.4(6) . 1_455 ? O7 V5 V4 43.5(4) . 1_455 ? O3 V5 V4 121.1(4) . 1_455 ? O8 V5 V4 40.1(5) 1_455 1_455 ? O5 V5 V4 85.4(3) . 1_455 ? O13 V5 V6 92.3(6) . 1_455 ? O10 V5 V6 131.0(6) . 1_455 ? O7 V5 V6 121.5(5) . 1_455 ? O3 V5 V6 43.1(4) . 1_455 ? O8 V5 V6 41.5(5) 1_455 1_455 ? O5 V5 V6 88.5(4) . 1_455 ? V4 V5 V6 79.79(13) 1_455 1_455 ? O14 V6 O2 96.1(10) . . ? O14 V6 O7 105.6(9) . 1_645 ? O2 V6 O7 80.0(6) . 1_645 ? O14 V6 O8 100.7(9) . . ? O2 V6 O8 95.9(6) . . ? O7 V6 O8 153.8(5) 1_645 . ? O14 V6 O3 104.9(10) . 1_655 ? O2 V6 O3 158.9(4) . 1_655 ? O7 V6 O3 94.1(6) 1_645 1_655 ? O8 V6 O3 80.4(6) . 1_655 ? O14 V6 O9 178.0(10) . 1_645 ? O2 V6 O9 82.1(6) . 1_645 ? O7 V6 O9 75.2(6) 1_645 1_645 ? O8 V6 O9 78.6(6) . 1_645 ? O3 V6 O9 76.8(5) 1_655 1_645 ? O14 V6 V4 89.9(8) . 1_545 ? O2 V6 V4 41.7(5) . 1_545 ? O7 V6 V4 42.4(4) 1_645 1_545 ? O8 V6 V4 137.5(5) . 1_545 ? O3 V6 V4 136.5(5) 1_655 1_545 ? O9 V6 V4 89.4(4) 1_645 1_545 ? O14 V6 V5 93.7(8) . 1_655 ? O2 V6 V5 138.0(5) . 1_655 ? O7 V6 V5 135.6(4) 1_645 1_655 ? O8 V6 V5 42.1(5) . 1_655 ? O3 V6 V5 41.8(5) 1_655 1_655 ? O9 V6 V5 86.9(4) 1_645 1_655 ? V4 V6 V5 176.32(13) 1_545 1_655 ? O16 V7 O6 101.7(8) . 1_655 ? O16 V7 O1 101.8(8) . 1_565 ? O6 V7 O1 94.8(7) 1_655 1_565 ? O16 V7 O5 104.1(7) . . ? O6 V7 O5 154.1(5) 1_655 . ? O1 V7 O5 82.6(6) 1_565 . ? O16 V7 O4 98.0(8) . . ? O6 V7 O4 78.6(7) 1_655 . ? O1 V7 O4 160.0(4) 1_565 . ? O5 V7 O4 95.0(6) . . ? O16 V7 O10 178.7(8) . . ? O6 V7 O10 77.3(7) 1_655 . ? O1 V7 O10 79.1(6) 1_565 . ? O5 V7 O10 76.9(6) . . ? O4 V7 O10 80.9(6) . . ? O16 V7 V2 93.8(7) . . ? O6 V7 V2 137.5(6) 1_655 . ? O1 V7 V2 43.0(4) 1_565 . ? O5 V7 V2 43.2(4) . . ? O4 V7 V2 138.2(4) . . ? O10 V7 V2 87.5(5) . . ? O16 V7 V3 89.8(7) . 1_655 ? O6 V7 V3 41.4(6) 1_655 1_655 ? O1 V7 V3 136.2(5) 1_565 1_655 ? O5 V7 V3 135.5(4) . 1_655 ? O4 V7 V3 40.7(4) . 1_655 ? O10 V7 V3 88.9(5) . 1_655 ? V2 V7 V3 176.39(13) . 1_655 ? V1 O1 V7 129.0(8) . 1_545 ? V1 O1 V2 127.8(8) . 1_545 ? V7 O1 V2 95.0(7) 1_545 1_545 ? V1 O2 V6 127.5(8) . . ? V1 O2 V4 124.6(8) . 1_545 ? V6 O2 V4 98.2(7) . 1_545 ? V1 O3 V5 130.1(8) . . ? V1 O3 V6 127.7(9) . 1_455 ? V5 O3 V6 95.1(6) . 1_455 ? V1 O4 V3 129.0(8) . 1_655 ? V1 O4 V7 123.7(7) . . ? V3 O4 V7 96.5(6) 1_655 . ? V3 O5 V7 155.0(8) . . ? V3 O5 V2 95.6(6) . . ? V7 O5 V2 94.1(6) . . ? V3 O5 V5 104.5(6) . . ? V7 O5 V5 96.5(5) . . ? V2 O5 V5 99.9(6) . . ? V2 O6 V7 148.8(10) . 1_455 ? V2 O6 V3 94.3(8) . . ? V7 O6 V3 97.6(9) 1_455 . ? V2 O6 V4 105.0(8) . 1_455 ? V7 O6 V4 100.1(7) 1_455 1_455 ? V3 O6 V4 103.4(8) . 1_455 ? V6 O7 V5 148.0(8) 1_465 . ? V6 O7 V4 96.3(6) 1_465 1_455 ? V5 O7 V4 93.8(7) . 1_455 ? V6 O7 V2 101.7(6) 1_465 . ? V5 O7 V2 105.2(6) . . ? V4 O7 V2 104.1(6) 1_455 . ? V4 O8 V6 154.3(9) . . ? V4 O8 V5 96.8(8) . 1_655 ? V6 O8 V5 96.5(7) . 1_655 ? V4 O8 V3 102.6(7) . 1_655 ? V6 O8 V3 96.7(7) . 1_655 ? V5 O8 V3 99.6(6) 1_655 1_655 ? V3 O9 V2 144.8(6) 1_565 . ? V3 O9 V6 107.7(6) 1_565 1_465 ? V2 O9 V6 107.2(6) . 1_465 ? V5 O10 V4 143.0(6) . . ? V5 O10 V7 110.5(8) . . ? V4 O10 V7 106.5(8) . . ? V3 O11 Ba3 143.7(9) . 2_556 ? V3 O11 Ba4 148.4(9) . 2_556 ? Ba3 O11 Ba4 49.5(3) 2_556 2_556 ? V3 O11 Ba3 144.3(9) . . ? Ba3 O11 Ba3 64.3(4) 2_556 . ? Ba4 O11 Ba3 61.3(4) 2_556 . ? V3 O11 Ba4 149.8(8) . . ? Ba3 O11 Ba4 61.2(3) 2_556 . ? Ba4 O11 Ba4 19.9(2) 2_556 . ? Ba3 O11 Ba4 47.3(3) . . ? V2 O12 Ba4 153.8(8) . 1_565 ? V2 O12 Ba4 148.2(8) . 2_566 ? Ba4 O12 Ba4 19.9(2) 1_565 2_566 ? V5 O13 Ba2 153.6(9) . . ? V5 O13 Ba5 147.6(10) . . ? Ba2 O13 Ba5 49.4(4) . . ? V5 O13 Ba1 151.1(9) . . ? Ba2 O13 Ba1 20.1(2) . . ? Ba5 O13 Ba1 60.3(4) . . ? V5 O13 Ba6 137.2(9) . . ? Ba2 O13 Ba6 62.1(4) . . ? Ba5 O13 Ba6 62.1(4) . . ? Ba1 O13 Ba6 47.9(3) . . ? V6 O14 Ba5 141.2(12) . 2_655 ? V6 O14 Ba6 139.2(12) . 1_645 ? Ba5 O14 Ba6 79.0(4) 2_655 1_645 ? V6 O14 Ba6 144.9(12) . 2_645 ? Ba5 O14 Ba6 65.5(5) 2_655 2_645 ? Ba6 O14 Ba6 38.3(4) 1_645 2_645 ? V6 O14 Ba5 140.8(12) . 1_655 ? Ba5 O14 Ba5 35.9(7) 2_655 1_655 ? Ba6 O14 Ba5 63.2(4) 1_645 1_655 ? Ba6 O14 Ba5 74.1(3) 2_645 1_655 ? V4 O15 Ba6 145.3(10) . 2_655 ? V4 O15 Ba1 147.8(9) . . ? Ba6 O15 Ba1 51.2(4) 2_655 . ? V4 O15 Ba5 143.1(10) . 2_655 ? Ba6 O15 Ba5 65.6(5) 2_655 2_655 ? Ba1 O15 Ba5 59.4(5) . 2_655 ? V4 O15 Ba2 146.4(9) . . ? Ba6 O15 Ba2 63.4(4) 2_655 . ? Ba1 O15 Ba2 19.1(2) . . ? Ba5 O15 Ba2 46.5(4) 2_655 . ? V7 O16 Ba3 146.0(10) . 2_656 ? V7 O16 Ba3 136.1(9) . . ? Ba3 O16 Ba3 64.4(4) 2_656 . ? Ba4 OW1 Ba3 46.7(5) . . ? Ba4 OW1 Ba4 116.8(7) . 2_656 ? Ba3 OW1 Ba4 93.5(7) . 2_656 ? Ba4 OW1 Ba3 99.0(7) . 2_656 ? Ba3 OW1 Ba3 57.6(5) . 2_656 ? Ba4 OW1 Ba3 42.7(4) 2_656 2_656 ? Ba6 OW2 Ba1 51.8(5) 2_645 1_545 ? Ba6 OW2 Ba6 96.3(8) 2_645 1_545 ? Ba1 OW2 Ba6 50.5(5) 1_545 1_545 ? Ba6 OW2 Ba2 97.5(9) 2_645 . ? Ba1 OW2 Ba2 119.0(8) 1_545 . ? Ba6 OW2 Ba2 94.7(8) 1_545 . ? Ba6 OW2 Ba5 122.7(8) 2_645 . ? Ba1 OW2 Ba5 104.9(9) 1_545 . ? Ba6 OW2 Ba5 59.6(7) 1_545 . ? Ba2 OW2 Ba5 43.2(4) . . ? Ba6 OW2 Ba5 59.9(7) 2_645 2_655 ? Ba1 OW2 Ba5 103.2(9) 1_545 2_655 ? Ba6 OW2 Ba5 116.3(8) 1_545 2_655 ? Ba2 OW2 Ba5 42.6(5) . 2_655 ? Ba5 OW2 Ba5 83.9(8) . 2_655 ? _refine_diff_density_max 1.847 _refine_diff_density_min -1.076 _refine_diff_density_rms 0.278 _shelx_res_file ; 6034.res created by SHELXL-2014/7 TITL p2 in P2 CELL 0.71073 6.1537 6.1534 21.356 90.000 90.058 90.000 ZERR 4.00 0.0016 0.0018 0.007 0.000 0.009 0.000 LATT -1 SYMM -X, Y, -Z SFAC O BA V UNIT 36 2 14 L.S. 20 BOND FMAP 2 PLAN 20 ACTA TWIN -1 0 0 0 -1 0 0 0 1 WGHT 0.049800 17.249607 BASF 0.52073 FVAR 0.33655 0.29991 0.24554 0.26696 0.24972 0.17716 0.15590 BA1 2 0.500000 0.802244 0.000000 20.50000 0.04456 0.01359 = 0.02432 0.00000 0.00440 0.00000 BA2 2 0.500000 0.640417 0.000000 30.50000 0.03583 0.01411 = 0.01707 0.00000 0.01021 0.00000 BA3 2 0.249331 0.591585 0.496528 41.00000 0.03703 0.04875 = 0.02480 0.00494 0.00213 -0.01117 BA4 2 0.082054 0.244746 0.501536 51.00000 0.04324 0.02639 = 0.02065 -0.00313 0.00531 0.01597 BA5 2 0.144576 0.497591 -0.006774 61.00000 0.14482 0.03186 = 0.01779 -0.01337 -0.00204 -0.01744 BA6 2 0.153532 0.997864 0.002642 71.00000 0.02099 0.05822 = 0.02012 -0.00043 -0.00018 -0.00206 V1 3 0.510821 0.244394 0.250186 11.00000 0.00475 0.00592 = 0.01509 0.00103 0.00066 0.00037 V2 3 0.085685 0.968708 0.314417 11.00000 0.00679 0.00377 = 0.02069 -0.00166 -0.00038 -0.00598 V3 3 -0.059849 0.522222 0.313878 11.00000 0.00845 0.01329 = 0.01582 0.00193 -0.00190 0.00102 V4 3 0.786685 0.817365 0.185898 11.00000 0.00404 0.01761 = 0.01257 0.00162 0.00044 0.00008 V5 3 0.238113 0.670970 0.185735 11.00000 0.00982 0.00143 = 0.02631 0.00374 0.00384 -0.00230 V6 3 1.009658 0.244657 0.181414 11.00000 0.00910 0.00948 = 0.01556 0.00257 0.00100 -0.00140 V7 3 0.512526 0.746674 0.318516 11.00000 0.00659 0.00701 = 0.01894 -0.00048 -0.00022 -0.00296 O1 1 0.402447 0.044619 0.300600 11.00000 0.01189 O2 1 0.721197 0.132731 0.196241 11.00000 0.01366 O3 1 0.313502 0.360021 0.200663 11.00000 0.01131 O4 1 0.634465 0.444028 0.303823 11.00000 0.01112 O5 1 0.203184 0.664167 0.299478 11.00000 0.00546 O6 1 -0.184250 0.812983 0.295949 11.00000 0.02273 O7 1 0.080735 0.944147 0.205532 11.00000 0.00980 O8 1 0.937573 0.552695 0.199255 11.00000 0.01948 O9 1 0.019289 1.249212 0.288092 11.00000 0.00769 O10 1 0.503955 0.742147 0.213164 11.00000 0.01464 O11 1 -0.037237 0.502613 0.388994 11.00000 0.02021 O12 1 0.078358 0.996875 0.388849 11.00000 0.01401 O13 1 0.264064 0.677626 0.111304 11.00000 0.01890 O14 1 0.993907 0.242911 0.106288 11.00000 0.02355 O15 1 0.770979 0.794518 0.110917 11.00000 0.02419 O16 1 0.524058 0.747108 0.394417 11.00000 0.02159 OW1 1 0.462602 0.214371 0.573246 11.00000 0.06769 OW2 1 0.507920 0.187047 -0.070803 11.00000 0.07303 HKLF 4 REM p2 in P2 REM R1 = 0.0573 for 3652 Fo > 4sig(Fo) and 0.0586 for all 3711 data REM 189 parameters refined using 1 restraints END WGHT 0.0498 17.2508 REM Highest difference peak 1.847, deepest hole -1.076, 1-sigma level 0.278 Q1 1 0.0000 0.9097 0.0000 10.50000 0.05 1.85 Q2 1 0.1807 0.7609 0.5026 11.00000 0.05 1.71 Q3 1 0.7938 0.8157 0.1420 11.00000 0.05 1.59 Q4 1 0.5415 0.7341 0.3592 11.00000 0.05 1.57 Q5 1 0.2569 0.8971 0.5019 11.00000 0.05 1.49 Q6 1 0.5205 0.7489 0.2743 11.00000 0.05 1.47 Q7 1 0.0000 0.4519 0.0000 10.50000 0.05 1.47 Q8 1 -0.0339 0.5180 0.3563 11.00000 0.05 1.44 Q9 1 0.2511 0.6601 0.1417 11.00000 0.05 1.41 Q10 1 0.1026 0.9632 0.2658 11.00000 0.05 1.38 Q11 1 0.8042 0.8058 0.2275 11.00000 0.05 1.36 Q12 1 1.0174 0.2434 0.2245 11.00000 0.05 1.29 Q13 1 1.0100 0.2432 0.1427 11.00000 0.05 1.29 Q14 1 0.0000 0.5846 0.0000 10.50000 0.05 1.28 Q15 1 0.6320 0.4457 0.2726 11.00000 0.05 1.25 Q16 1 0.1463 0.5407 0.1786 11.00000 0.05 1.19 Q17 1 -0.0556 0.5300 0.2689 11.00000 0.05 1.15 Q18 1 -0.1537 1.0294 0.3147 11.00000 0.05 1.08 Q19 1 0.3169 0.3345 0.2265 11.00000 0.05 1.08 Q20 1 0.1009 0.9784 0.3561 11.00000 0.05 1.05 ; _shelx_res_checksum 42103 _shelx_hkl_file ; -1 0 0 572.61 13.66 1 0 0 578.43 11.61 -2 0 0 1915.46 45.15 2 0 0 1944.28 34.28 -3 0 0 567.01 14.22 3 0 0 581.75 11.17 -4 0 0 2610.90 79.34 4 0 0 2628.69 50.69 -5 0 0 191.69 7.01 5 0 0 188.19 5.20 -6 0 0 22.153 3.827 6 0 0 24.049 2.509 -7 0 0 679.55 24.01 7 0 0 690.16 21.45 0 -1 0 638.62 12.27 0 1 0 612.06 17.30 -1 -1 0 458.43 7.82 1 -1 0 444.35 6.63 1 1 0 441.87 9.24 -2 -1 0 2016.45 34.53 2 -1 0 2072.85 29.45 -2 1 0 2041.65 82.14 2 1 0 1999.53 40.91 -3 -1 0 1853.88 45.49 3 -1 0 1897.44 38.38 -3 1 0 1849.30 43.93 3 1 0 1860.93 37.25 -4 -1 0 327.60 9.53 4 -1 0 337.96 7.28 -4 1 0 324.95 7.96 4 1 0 337.34 7.61 -5 -1 0 22.847 3.198 5 -1 0 25.755 2.159 -5 1 0 23.637 4.138 5 1 0 24.012 2.141 -6 -1 0 161.68 5.47 6 -1 0 157.16 5.86 -6 1 0 158.87 6.94 6 1 0 156.78 5.78 -7 -1 0 357.99 11.02 7 -1 0 345.75 12.48 -7 1 0 330.28 14.48 7 1 0 342.11 12.18 0 -2 0 2161.21 41.02 0 2 0 2133.50 50.37 -1 -2 0 2202.61 50.75 1 -2 0 2190.33 36.41 -1 2 0 2043.50 84.37 1 2 0 2218.23 44.49 -2 -2 0 359.03 6.75 2 -2 0 371.68 5.79 2 2 0 345.65 7.68 -3 -2 0 793.11 14.07 3 -2 0 804.30 11.89 -3 2 0 745.28 22.17 3 2 0 755.69 18.43 -4 -2 0 2821.56 57.44 4 -2 0 2778.11 47.10 -4 2 0 2769.43 57.52 4 2 0 2733.01 63.58 -5 -2 0 32.668 2.889 5 -2 0 41.176 2.608 -5 2 0 35.137 3.295 5 2 0 31.988 2.711 -6 -2 0 717.86 16.43 6 -2 0 736.64 18.31 -6 2 0 680.99 19.21 6 2 0 711.79 17.68 -7 -2 0 24.944 4.476 7 -2 0 26.018 3.750 -7 2 0 21.965 6.489 7 2 0 24.562 4.358 0 -3 0 652.30 13.03 0 3 0 665.29 16.53 -1 -3 0 2033.07 40.01 1 -3 0 1938.76 36.67 -1 3 0 1867.50 39.03 1 3 0 1961.21 45.53 -2 -3 0 817.87 15.65 2 -3 0 798.18 14.06 -2 3 0 737.65 23.58 2 3 0 782.00 16.28 -3 -3 0 322.89 6.27 3 -3 0 316.43 5.41 -3 3 0 280.64 8.74 3 3 0 286.88 6.68 -4 -3 0 51.713 3.174 4 -3 0 55.780 2.018 -4 3 0 50.180 4.736 4 3 0 46.752 2.987 -5 -3 0 88.185 4.255 5 -3 0 105.17 4.46 -5 3 0 84.136 4.332 -6 -3 0 102.76 4.84 6 -3 0 125.01 5.26 -6 3 0 112.33 9.18 6 3 0 86.252 5.505 -7 -3 0 8.1962 3.4585 7 -3 0 11.245 3.584 -7 3 0 0.9369 6.2472 7 3 0 10.087 4.033 0 -4 0 2910.40 61.65 0 4 0 2873.59 68.39 -1 -4 0 313.49 8.99 1 -4 0 346.63 7.20 -1 4 0 305.06 8.36 1 4 0 289.99 8.29 -2 -4 0 2942.17 76.38 2 -4 0 3052.79 55.71 -2 4 0 2903.10 59.05 2 4 0 2858.66 68.71 -3 -4 0 55.178 2.625 3 -4 0 50.227 2.300 -3 4 0 42.765 3.472 3 4 0 46.826 2.501 -4 -4 0 129.28 4.58 4 -4 0 125.19 3.85 -4 4 0 105.89 4.29 4 4 0 122.57 4.77 -5 -4 0 206.58 6.36 5 -4 0 209.51 6.02 -5 4 0 195.21 5.81 5 4 0 193.27 6.51 -6 -4 0 123.22 6.13 6 -4 0 133.47 5.67 -6 4 0 133.34 7.44 6 4 0 110.30 6.39 0 -5 0 202.22 5.82 0 5 0 217.16 6.92 -1 -5 0 21.949 2.336 1 -5 0 22.396 2.590 -1 5 0 14.860 2.409 1 5 0 15.688 2.402 -2 -5 0 41.163 3.548 2 -5 0 45.085 3.750 -2 5 0 20.473 2.648 2 5 0 26.843 2.842 -3 -5 0 87.175 4.050 3 -5 0 99.130 5.653 -3 5 0 75.626 4.938 3 5 0 71.987 4.036 -4 -5 0 197.91 9.18 4 -5 0 209.65 6.99 -4 5 0 199.16 9.34 4 5 0 181.33 7.91 -5 -5 0 376.95 13.92 5 -5 0 331.93 13.03 -5 5 0 345.95 9.54 5 5 0 349.65 12.41 -6 -5 0 80.296 7.323 -6 5 0 71.028 8.579 6 5 0 79.630 6.172 0 -6 0 17.191 2.935 0 6 0 17.688 2.846 -1 -6 0 174.65 5.73 1 -6 0 177.39 6.36 -1 6 0 163.13 8.43 1 6 0 161.07 6.16 -2 -6 0 800.35 21.76 2 -6 0 771.37 20.07 -2 6 0 772.51 26.02 2 6 0 776.49 20.14 -3 -6 0 103.34 5.68 3 -6 0 108.62 6.50 -3 6 0 100.74 7.59 3 6 0 87.014 4.756 -4 -6 0 127.70 7.65 4 -6 0 124.62 6.91 -4 6 0 113.20 7.99 4 6 0 122.08 6.60 -5 -6 0 74.887 7.354 5 -6 0 89.371 9.901 -5 6 0 71.946 6.234 5 6 0 72.658 6.080 0 -7 0 767.92 19.99 0 7 0 799.60 27.21 -1 -7 0 380.74 12.65 1 -7 0 391.92 13.48 -1 7 0 404.44 15.67 1 7 0 398.32 15.41 -2 -7 0 26.128 3.737 2 -7 0 15.581 4.323 -2 7 0 11.860 5.030 2 7 0 15.830 4.639 -3 -7 0 8.8230 4.7893 3 -7 0 7.8070 4.2382 -3 7 0 6.9361 4.2211 3 7 0 4.8441 3.8204 0 -8 0 104.91 6.77 0 8 0 118.19 14.10 7 0 1 195.26 8.49 -7 0 -1 204.24 10.69 6 0 1 126.53 5.05 -6 0 -1 117.58 5.97 5 0 1 112.76 3.91 -5 0 -1 116.66 5.43 4 0 1 181.99 6.29 -4 0 -1 166.45 10.61 3 0 1 51.538 2.162 -3 0 -1 64.057 3.339 2 0 1 151.71 3.61 -2 0 -1 169.77 6.14 1 0 1 26.870 1.201 -1 0 -1 34.919 1.904 -1 0 1 39.421 1.573 1 0 -1 33.437 1.539 -2 0 1 186.32 6.26 2 0 -1 185.91 5.50 -3 0 1 93.690 5.665 3 0 -1 75.240 3.302 -4 0 1 339.44 16.66 4 0 -1 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