data_shelx _audit_creation_method 'SHELXL-2017/1' _shelx_SHELXL_version_number '2017/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C2 Ca Co0.33 Mg O6' _chemical_formula_weight 204.05 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ca' 'Ca' 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mg' 'Mg' 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Co' 'Co' 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system trigonal _space_group_IT_number 148 _space_group_name_H-M_alt 'R -3 :H' _space_group_name_Hall '-R 3' _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, x, -z' 'y, -x+y, -z' 'x+2/3, y+1/3, z+1/3' 'x-y+2/3, x+1/3, -z+1/3' 'y+2/3, -x+y+1/3, -z+1/3' 'x+1/3, y+2/3, z+2/3' 'x-y+1/3, x+2/3, -z+2/3' 'y+1/3, -x+y+2/3, -z+2/3' '-x, -y, -z' '-x+y, -x, z' '-y, x-y, z' '-x+2/3, -y+1/3, -z+1/3' '-x+y+2/3, -x+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+1/3, -y+2/3, -z+2/3' '-x+y+1/3, -x+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' _cell_length_a 4.8123(3) _cell_length_b 4.8123(3) _cell_length_c 16.0326(10) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 321.54(4) _cell_formula_units_Z 3 _cell_measurement_temperature 295(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 3.161 _exptl_crystal_F_000 303 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_absorpt_coefficient_mu 2.808 _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 295(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 926 _diffrn_reflns_av_unetI/netI 0.0322 _diffrn_reflns_av_R_equivalents 0.0486 _diffrn_reflns_limit_h_min -6 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_k_min -4 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 5.054 _diffrn_reflns_theta_max 36.765 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.890 _diffrn_measured_fraction_theta_full 0.970 _diffrn_reflns_Laue_measured_fraction_max 0.890 _diffrn_reflns_Laue_measured_fraction_full 0.970 _diffrn_reflns_point_group_measured_fraction_max 0.890 _diffrn_reflns_point_group_measured_fraction_full 0.970 _reflns_number_total 314 _reflns_number_gt 305 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _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-2017/1 (Sheldrick, 2017)' _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^)+(0.0481P)^2^+1.7706P] 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_number_reflns 314 _refine_ls_number_parameters 19 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0389 _refine_ls_R_factor_gt 0.0379 _refine_ls_wR_factor_ref 0.1025 _refine_ls_wR_factor_gt 0.1017 _refine_ls_goodness_of_fit_ref 1.124 _refine_ls_restrained_S_all 1.124 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 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 Ca1 Ca 0.000000 0.000000 0.000000 0.0110(2) Uani 1 6 d S T P . . Mg1 Mg 0.000000 0.000000 0.500000 0.0086(4) Uani 0.747(9) 6 d S T P . . Co1 Co 0.000000 0.000000 0.500000 0.0086(4) Uani 0.253(9) 6 d S T P . . C1 C 0.000000 0.000000 0.24298(18) 0.0094(5) Uani 1 3 d S T P . . O1 O 0.2488(4) -0.0331(4) 0.24401(9) 0.0130(3) Uani 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 Ca1 0.0098(3) 0.0098(3) 0.0135(4) 0.000 0.000 0.00491(14) Mg1 0.0068(4) 0.0068(4) 0.0121(6) 0.000 0.000 0.0034(2) Co1 0.0068(4) 0.0068(4) 0.0121(6) 0.000 0.000 0.0034(2) C1 0.0086(7) 0.0086(7) 0.0111(12) 0.000 0.000 0.0043(4) O1 0.0096(6) 0.0133(6) 0.0185(6) -0.0031(5) -0.0023(5) 0.0075(5) _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 Ca1 O1 2.3788(15) 17_554 ? Ca1 O1 2.3788(15) 5_445 ? Ca1 O1 2.3788(15) 13 ? Ca1 O1 2.3788(15) 7_444 ? Ca1 O1 2.3788(15) 18_544 ? Ca1 O1 2.3788(15) 6_455 ? Ca1 C1 3.1333(13) 13 ? Ca1 C1 3.1333(13) 7_444 ? Ca1 C1 3.1333(13) 13_445 ? Ca1 C1 3.1333(13) 7_554 ? Ca1 C1 3.1334(13) 7_544 ? Ca1 C1 3.1334(13) 13_455 ? Mg1 O1 2.0925(15) 14 ? Mg1 O1 2.0925(15) 8_445 ? Mg1 O1 2.0925(15) 15_445 ? Mg1 O1 2.0925(15) 9 ? Mg1 O1 2.0926(15) 16_545 ? Mg1 O1 2.0926(15) 4_455 ? C1 O1 1.2843(15) . ? C1 O1 1.2843(15) 11 ? C1 O1 1.2843(15) 12 ? 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 O1 Ca1 O1 180.00(7) 17_554 5_445 ? O1 Ca1 O1 92.50(5) 17_554 13 ? O1 Ca1 O1 87.50(5) 5_445 13 ? O1 Ca1 O1 87.50(5) 17_554 7_444 ? O1 Ca1 O1 92.50(5) 5_445 7_444 ? O1 Ca1 O1 180.00(6) 13 7_444 ? O1 Ca1 O1 87.50(5) 17_554 18_544 ? O1 Ca1 O1 92.50(5) 5_445 18_544 ? O1 Ca1 O1 92.50(5) 13 18_544 ? O1 Ca1 O1 87.50(5) 7_444 18_544 ? O1 Ca1 O1 92.50(5) 17_554 6_455 ? O1 Ca1 O1 87.50(5) 5_445 6_455 ? O1 Ca1 O1 87.50(5) 13 6_455 ? O1 Ca1 O1 92.50(5) 7_444 6_455 ? O1 Ca1 O1 180.00(12) 18_544 6_455 ? O1 Ca1 C1 101.44(4) 17_554 13 ? O1 Ca1 C1 78.56(4) 5_445 13 ? O1 Ca1 C1 21.95(4) 13 13 ? O1 Ca1 C1 158.05(4) 7_444 13 ? O1 Ca1 C1 73.09(5) 18_544 13 ? O1 Ca1 C1 106.91(5) 6_455 13 ? O1 Ca1 C1 78.56(4) 17_554 7_444 ? O1 Ca1 C1 101.44(4) 5_445 7_444 ? O1 Ca1 C1 158.05(4) 13 7_444 ? O1 Ca1 C1 21.95(4) 7_444 7_444 ? O1 Ca1 C1 106.91(5) 18_544 7_444 ? O1 Ca1 C1 73.09(5) 6_455 7_444 ? C1 Ca1 C1 180.00(9) 13 7_444 ? O1 Ca1 C1 158.05(4) 17_554 13_445 ? O1 Ca1 C1 21.95(4) 5_445 13_445 ? O1 Ca1 C1 106.91(5) 13 13_445 ? O1 Ca1 C1 73.09(5) 7_444 13_445 ? O1 Ca1 C1 101.44(4) 18_544 13_445 ? O1 Ca1 C1 78.56(4) 6_455 13_445 ? C1 Ca1 C1 100.33(6) 13 13_445 ? C1 Ca1 C1 79.67(6) 7_444 13_445 ? O1 Ca1 C1 21.95(4) 17_554 7_554 ? O1 Ca1 C1 158.05(4) 5_445 7_554 ? O1 Ca1 C1 73.09(5) 13 7_554 ? O1 Ca1 C1 106.91(5) 7_444 7_554 ? O1 Ca1 C1 78.56(4) 18_544 7_554 ? O1 Ca1 C1 101.44(4) 6_455 7_554 ? C1 Ca1 C1 79.67(6) 13 7_554 ? C1 Ca1 C1 100.33(6) 7_444 7_554 ? C1 Ca1 C1 180.00(9) 13_445 7_554 ? O1 Ca1 C1 106.91(5) 17_554 7_544 ? O1 Ca1 C1 73.09(5) 5_445 7_544 ? O1 Ca1 C1 101.44(4) 13 7_544 ? O1 Ca1 C1 78.56(4) 7_444 7_544 ? O1 Ca1 C1 21.95(4) 18_544 7_544 ? O1 Ca1 C1 158.05(4) 6_455 7_544 ? C1 Ca1 C1 79.67(6) 13 7_544 ? C1 Ca1 C1 100.33(6) 7_444 7_544 ? C1 Ca1 C1 79.67(6) 13_445 7_544 ? C1 Ca1 C1 100.33(6) 7_554 7_544 ? O1 Ca1 C1 73.09(5) 17_554 13_455 ? O1 Ca1 C1 106.91(5) 5_445 13_455 ? O1 Ca1 C1 78.56(4) 13 13_455 ? O1 Ca1 C1 101.44(4) 7_444 13_455 ? O1 Ca1 C1 158.05(4) 18_544 13_455 ? O1 Ca1 C1 21.95(4) 6_455 13_455 ? C1 Ca1 C1 100.33(6) 13 13_455 ? C1 Ca1 C1 79.67(6) 7_444 13_455 ? C1 Ca1 C1 100.33(6) 13_445 13_455 ? C1 Ca1 C1 79.67(6) 7_554 13_455 ? C1 Ca1 C1 180.00(9) 7_544 13_455 ? O1 Mg1 O1 180.0 14 8_445 ? O1 Mg1 O1 88.47(6) 14 15_445 ? O1 Mg1 O1 91.53(6) 8_445 15_445 ? O1 Mg1 O1 91.53(6) 14 9 ? O1 Mg1 O1 88.47(6) 8_445 9 ? O1 Mg1 O1 180.0 15_445 9 ? O1 Mg1 O1 91.53(6) 14 16_545 ? O1 Mg1 O1 88.47(6) 8_445 16_545 ? O1 Mg1 O1 91.53(6) 15_445 16_545 ? O1 Mg1 O1 88.47(6) 9 16_545 ? O1 Mg1 O1 88.47(6) 14 4_455 ? O1 Mg1 O1 91.53(6) 8_445 4_455 ? O1 Mg1 O1 88.47(6) 15_445 4_455 ? O1 Mg1 O1 91.53(6) 9 4_455 ? O1 Mg1 O1 180.00(6) 16_545 4_455 ? O1 Mg1 Ca1 122.15(4) 14 4_445 ? O1 Mg1 Ca1 57.85(4) 8_445 4_445 ? O1 Mg1 Ca1 81.86(4) 15_445 4_445 ? O1 Mg1 Ca1 98.14(4) 9 4_445 ? O1 Mg1 Ca1 32.67(4) 16_545 4_445 ? O1 Mg1 Ca1 147.33(4) 4_455 4_445 ? O1 Mg1 Ca1 57.85(4) 14 7 ? O1 Mg1 Ca1 122.15(4) 8_445 7 ? O1 Mg1 Ca1 98.14(4) 15_445 7 ? O1 Mg1 Ca1 81.86(4) 9 7 ? O1 Mg1 Ca1 147.33(4) 16_545 7 ? O1 Mg1 Ca1 32.67(4) 4_455 7 ? Ca1 Mg1 Ca1 180.0 4_445 7 ? O1 Mg1 Ca1 81.86(4) 14 4 ? O1 Mg1 Ca1 98.14(4) 8_445 4 ? O1 Mg1 Ca1 147.33(4) 15_445 4 ? O1 Mg1 Ca1 32.67(4) 9 4 ? O1 Mg1 Ca1 57.85(4) 16_545 4 ? O1 Mg1 Ca1 122.15(4) 4_455 4 ? Ca1 Mg1 Ca1 77.247(4) 4_445 4 ? Ca1 Mg1 Ca1 102.753(4) 7 4 ? O1 Mg1 Ca1 98.14(4) 14 7_445 ? O1 Mg1 Ca1 81.86(4) 8_445 7_445 ? O1 Mg1 Ca1 32.67(4) 15_445 7_445 ? O1 Mg1 Ca1 147.33(4) 9 7_445 ? O1 Mg1 Ca1 122.15(4) 16_545 7_445 ? O1 Mg1 Ca1 57.85(4) 4_455 7_445 ? Ca1 Mg1 Ca1 102.753(4) 4_445 7_445 ? Ca1 Mg1 Ca1 77.247(4) 7 7_445 ? Ca1 Mg1 Ca1 180.0 4 7_445 ? O1 Mg1 Ca1 147.33(4) 14 4_455 ? O1 Mg1 Ca1 32.67(4) 8_445 4_455 ? O1 Mg1 Ca1 122.15(4) 15_445 4_455 ? O1 Mg1 Ca1 57.85(4) 9 4_455 ? O1 Mg1 Ca1 98.14(4) 16_545 4_455 ? O1 Mg1 Ca1 81.86(4) 4_455 4_455 ? Ca1 Mg1 Ca1 77.247(4) 4_445 4_455 ? Ca1 Mg1 Ca1 102.753(4) 7 4_455 ? Ca1 Mg1 Ca1 77.247(4) 4 4_455 ? Ca1 Mg1 Ca1 102.753(4) 7_445 4_455 ? O1 Mg1 Ca1 32.67(4) 14 7_545 ? O1 Mg1 Ca1 147.33(4) 8_445 7_545 ? O1 Mg1 Ca1 57.85(4) 15_445 7_545 ? O1 Mg1 Ca1 122.15(4) 9 7_545 ? O1 Mg1 Ca1 81.86(4) 16_545 7_545 ? O1 Mg1 Ca1 98.14(4) 4_455 7_545 ? Ca1 Mg1 Ca1 102.753(4) 4_445 7_545 ? Ca1 Mg1 Ca1 77.247(4) 7 7_545 ? Ca1 Mg1 Ca1 102.753(4) 4 7_545 ? Ca1 Mg1 Ca1 77.247(4) 7_445 7_545 ? Ca1 Mg1 Ca1 180.0 4_455 7_545 ? O1 C1 O1 119.984(7) . 11 ? O1 C1 O1 119.983(8) . 12 ? O1 C1 O1 119.984(7) 11 12 ? O1 C1 Ca1 43.80(9) . 4 ? O1 C1 Ca1 143.62(16) 11 4 ? O1 C1 Ca1 84.19(9) 12 4 ? O1 C1 Ca1 84.19(9) . 4_445 ? O1 C1 Ca1 43.80(9) 11 4_445 ? O1 C1 Ca1 143.62(16) 12 4_445 ? Ca1 C1 Ca1 100.33(6) 4 4_445 ? O1 C1 Ca1 143.62(16) . 4_455 ? O1 C1 Ca1 84.19(9) 11 4_455 ? O1 C1 Ca1 43.80(9) 12 4_455 ? Ca1 C1 Ca1 100.33(6) 4 4_455 ? Ca1 C1 Ca1 100.33(6) 4_445 4_455 ? C1 O1 Mg1 126.38(14) . 7_544 ? C1 O1 Ca1 114.25(13) . 4 ? Mg1 O1 Ca1 118.97(6) 7_544 4 ? _refine_diff_density_max 0.967 _refine_diff_density_min -1.043 _refine_diff_density_rms 0.225 _shelx_res_file ; TITL CD5 shelx.res created by SHELXL-2017/1 at 14:07:16 on 15-Jan-2018 CELL 0.71073 4.81230 4.81230 16.03256 90.000 90.000 120.000 ZERR 3.00 0.00029 0.00029 0.00103 0.000 0.000 0.000 LATT 3 SYMM + X - Y, + X, - Z SYMM + Y, - X + Y, - Z SFAC C Ca Mg O Co UNIT 6 3 3 18 1 L.S. 10 FMAP 2 PLAN 10 ACTA BOND $H TEMP 22.00 EXYZ MG1 CO1 EADP MG1 CO1 REM SUMP 1.0 0.0001 1.0 3 1.0 5 TWIN 1 0 0 -1 -1 0 0 0 -1 WGHT 0.048100 1.770600 BASF 0.91216 FVAR 0.74687 0.74722 CA1 2 0.000000 0.000000 0.000000 10.16667 0.00982 0.00982 = 0.01348 0.00000 0.00000 0.00491 MG1 3 10.000000 10.000000 10.500000 20.16666 0.00677 0.00677 = 0.01213 0.00000 0.00000 0.00338 CO1 5 10.000000 10.000000 10.500000 -20.16660 0.00677 0.00677 = 0.01213 0.00000 0.00000 0.00338 C1 1 0.000000 0.000000 0.242980 10.33333 0.00862 0.00862 = 0.01110 0.00000 0.00000 0.00431 O1 4 0.248769 -0.033102 0.244009 11.00000 0.00956 0.01326 = 0.01846 -0.00314 -0.00228 0.00749 HKLF 4 REM CD5 REM R1 = 0.0379 for 305 Fo > 4sig(Fo) and 0.0389 for all 314 data REM 19 parameters refined using 0 restraints END WGHT 0.0478 1.7642 REM Highest difference peak 0.967, deepest hole -1.043, 1-sigma level 0.225 Q1 1 -0.0367 0.0618 0.0286 11.00000 0.05 0.97 Q2 1 0.0983 -0.1454 0.0436 11.00000 0.05 0.77 Q3 1 0.3414 -0.2066 0.2923 11.00000 0.05 0.61 Q4 1 0.4855 0.0611 0.2100 11.00000 0.05 0.58 Q5 1 0.0199 -0.1788 0.4925 11.00000 0.05 0.55 Q6 1 0.2092 -0.1217 0.2727 11.00000 0.05 0.55 Q7 1 0.0000 0.0000 0.1292 10.33333 0.05 0.54 Q8 1 0.0045 0.1742 0.0017 11.00000 0.05 0.54 Q9 1 -0.0280 0.2229 0.0503 11.00000 0.05 0.53 Q10 1 0.4723 0.2113 0.2001 11.00000 0.05 0.50 ; _shelx_res_checksum 10717 _shelx_hkl_file ; 1 -1 -1 9.16152 1.29581 3 -1 1 1 8.28731 1.00180 3 -1 1 1 10.4163 1.0661 1 2 1 -2 1630.90 67.97 1 2 1 -2 1627.51 67.45 3 2 1 -2 1618.33 49.73 4 2 1 -2 1569.49 61.10 2 -2 -1 2 1588.36 49.80 4 -2 -1 2 1614.14 65.46 3 -2 0 1 469.588 19.247 3 2 0 -1 461.760 21.389 3 -1 1 -2 436.579 26.207 3 0 2 -2 3585.32 111.58 4 0 2 1 483.333 18.884 2 0 2 1 495.668 20.834 1 0 2 1 495.238 15.362 4 -2 2 -1 422.396 17.228 3 2 -2 1 411.892 17.450 3 1 2 -1 903.071 28.068 4 1 2 -1 874.930 37.937 1 1 2 -1 909.625 34.575 2 1 2 -1 921.056 36.860 3 0 1 2 605.933 24.797 1 0 1 2 571.462 24.074 3 -2 -1 -1 630.135 25.730 3 2 1 1 633.404 24.141 2 2 1 1 640.707 26.541 1 2 1 1 607.986 26.369 3 2 -2 -2 3721.41 154.33 3 -2 2 2 3831.47 157.88 1 -2 2 2 3705.72 154.19 3 -2 0 -2 3780.11 146.84 3 2 0 2 3411.52 146.74 3 2 0 2 3562.28 156.06 1 1 2 2 2625.40 110.43 3 1 2 2 2659.63 84.20 4 1 2 2 2800.80 114.65 1 1 2 2 2712.89 103.12 2 -3 1 2 2653.53 106.90 3 3 -1 -2 2607.34 107.67 3 2 -3 -1 820.122 34.902 3 -2 3 1 848.636 35.948 1 -2 3 1 894.250 26.560 4 -2 3 1 847.173 34.943 3 3 2 -2 679.567 26.535 2 -3 2 1 599.002 24.936 3 -3 2 1 585.740 25.343 1 3 -2 -1 628.153 26.135 3 1 1 -3 2610.54 83.31 4 1 1 -3 2667.37 109.82 3 1 1 -3 2731.00 101.91 2 -1 -1 3 2699.20 109.06 3 -1 -1 3 2640.69 82.55 4 -3 -1 1 21.2988 1.9885 3 3 1 -1 21.5244 2.1745 3 3 1 -1 20.9243 2.1259 2 -2 1 -3 2074.77 76.43 3 -1 3 2 1738.66 70.12 2 -1 3 2 1595.24 75.00 3 -1 3 2 1680.97 77.30 1 2 -1 3 2137.34 89.40 3 2 -1 3 2038.91 78.29 1 -1 3 2 1733.77 58.78 4 -3 0 0 4340.52 179.06 3 0 3 0 4558.07 135.06 4 3 0 0 4177.82 185.00 2 0 3 0 4557.73 182.89 1 0 3 0 4248.33 166.24 2 3 0 0 4146.70 177.33 3 2 -1 -3 1888.09 79.46 3 -2 1 3 2012.22 81.03 1 -2 1 3 1883.25 78.78 3 -3 1 -1 848.542 35.887 3 3 -1 1 873.517 35.306 3 3 2 1 89.9724 4.4867 2 -3 2 -2 1380.63 57.77 3 1 -2 -3 2671.32 111.53 3 -1 2 3 2676.04 84.96 4 -1 2 3 2766.65 115.34 1 -1 2 3 2756.87 111.61 3 3 1 2 106.796 4.863 2 3 -3 -3 27.2293 3.4398 3 -3 3 3 26.5199 3.1924 1 -3 3 3 23.6259 1.9481 3 3 3 3 17.0990 2.3285 2 2 3 -4 477.043 15.595 4 -3 4 2 698.985 29.792 1 4 2 -4 453.714 18.425 2 1 2 -4 1856.61 57.36 4 1 2 -4 1845.86 75.42 3 1 2 -4 1851.66 70.39 2 -2 4 0 1255.66 52.84 3 -2 4 0 1318.36 40.21 4 -2 4 0 1306.26 54.49 1 -2 2 -4 1309.56 55.46 3 -2 4 3 43.2935 3.5327 4 -2 4 3 43.8105 2.5566 3 -2 4 3 43.8579 5.8405 1 -4 4 1 15.1595 1.7271 1 3 1 -4 3423.67 107.91 4 3 1 -4 3558.10 131.45 2 -3 -1 4 3418.99 107.14 4 0 -1 4 9999.99 430.85 1 -1 4 1 22.4902 1.9622 4 -1 4 1 22.9011 3.0183 3 -1 4 1 31.0091 2.6541 1 4 2 -1 102.792 5.357 2 -3 1 -4 1498.14 59.60 3 3 -1 4 1448.34 60.26 3 3 -1 4 1353.47 59.78 1 0 4 -4 3503.84 110.75 4 2 0 -4 1503.73 63.01 3 2 0 -4 1584.95 48.35 4 -2 0 4 1568.10 63.01 3 -2 0 4 1520.31 47.96 4 0 4 -1 19.8580 1.9612 4 0 4 -1 16.7601 3.2096 1 -1 0 -4 6628.75 315.69 3 1 0 4 8665.35 334.16 1 0 4 2 13.9738 1.3623 4 0 4 2 11.1646 1.7853 1 1 -1 -4 9531.89 404.64 3 -1 1 4 9999.44 417.90 1 -1 1 4 9358.18 398.95 3 1 4 0 869.048 38.859 1 1 4 0 952.754 28.636 4 -2 -1 -4 1822.33 77.06 3 2 1 4 1933.65 80.61 1 2 1 4 1900.95 71.69 2 1 4 3 25.9766 2.2444 2 1 4 3 22.1927 2.3582 1 1 4 3 21.8927 1.7100 4 3 -2 -4 2035.79 81.93 3 -3 2 4 1951.21 84.56 1 -3 2 4 2038.44 81.81 3 2 4 -2 390.262 12.667 4 4 -1 2 700.523 31.276 3 0 2 4 1524.66 62.01 3 0 2 4 1451.44 47.47 4 0 2 4 1503.08 59.20 2 0 2 4 1564.32 63.40 1 2 4 1 5.33221 1.37699 4 4 2 2 576.549 27.926 2 3 2 4 892.558 34.429 2 2 -3 -4 1659.90 69.88 3 -2 3 4 1760.56 70.97 3 -2 3 4 1665.84 53.15 4 -2 3 4 1778.28 71.93 1 1 3 4 1759.81 66.15 2 1 3 4 1714.76 72.92 1 -4 4 4 3191.10 133.32 1 -1 4 4 3578.51 153.56 1 -1 4 4 3505.22 109.43 4 4 0 4 3695.85 142.32 2 2 4 4 519.967 23.200 2 4 3 4 533.998 21.543 2 2 4 -5 66.6847 3.4035 4 5 0 -4 634.063 26.797 2 -4 5 0 726.151 29.203 1 -1 4 -5 59.5709 2.7314 4 -4 5 3 1.91646 2.37482 1 1 3 -5 154.865 5.609 4 -3 5 1 395.189 17.434 1 -2 3 -5 615.038 27.463 3 -3 5 4 406.950 12.894 4 -3 5 4 389.240 17.602 1 3 2 -5 109.677 4.157 4 3 2 -5 116.286 5.505 2 -2 5 -1 103.316 4.008 4 0 2 -5 159.293 5.327 4 5 1 -2 532.200 21.506 2 -2 5 2 663.293 29.071 1 -2 5 2 673.522 21.172 4 5 1 -5 13.8796 2.3816 2 -1 5 -3 11.8298 2.2749 1 -1 5 -3 9.84055 1.48100 4 2 1 -5 326.836 13.015 2 -2 -1 5 329.298 10.565 4 -2 -1 5 332.530 15.609 3 -1 5 0 1601.11 50.75 4 -1 5 0 1655.30 68.97 1 1 -1 5 317.585 13.629 1 -1 5 3 19.0121 1.8506 4 -1 5 3 15.4240 2.1814 1 -4 1 -5 121.029 8.752 3 4 -1 5 111.189 5.195 3 0 5 -5 28.3615 3.4725 4 0 5 -5 24.9571 3.4235 1 4 0 -5 45.7322 2.9347 2 0 5 -2 465.540 20.697 1 0 5 -2 457.006 15.025 4 1 0 -5 342.483 16.447 3 -1 0 5 338.982 14.177 3 -1 0 5 343.678 14.430 1 -1 0 5 330.322 10.711 4 0 5 1 119.375 6.529 1 0 5 1 121.664 4.927 4 -2 0 -5 133.566 6.414 3 2 0 5 132.640 5.913 1 2 0 5 132.945 5.192 2 0 5 4 536.204 23.903 1 0 5 4 552.564 17.867 4 1 5 -4 483.978 15.911 4 3 -1 -5 740.618 30.112 3 3 -1 -5 719.074 23.037 4 -3 1 5 731.749 33.916 3 -3 1 5 725.805 22.810 4 1 5 -1 103.814 6.294 1 1 5 -1 113.922 4.552 4 0 -1 -5 330.105 13.496 3 0 1 5 330.885 10.294 4 0 1 5 319.283 13.590 3 0 1 5 331.149 14.090 1 0 1 5 328.433 12.722 2 5 1 1 72.5545 5.2801 2 1 5 2 498.295 22.177 1 1 5 2 502.528 16.022 4 3 1 5 53.3338 2.8562 2 2 5 -3 23.1576 2.1178 4 2 -2 -5 142.868 6.288 3 -2 2 5 140.437 4.806 4 -2 2 5 149.019 6.501 1 -2 2 5 143.794 6.317 3 5 0 2 455.738 18.220 2 1 2 5 733.682 28.123 2 1 2 5 732.419 34.165 1 5 3 2 188.062 9.072 2 4 2 5 171.830 8.074 2 -1 3 5 319.274 11.067 4 -1 3 5 323.596 12.876 2 -1 3 5 334.252 15.104 3 2 3 5 237.471 10.960 1 2 3 5 247.964 10.026 2 -3 4 5 128.421 6.227 1 -3 4 5 124.974 4.760 4 0 4 5 44.1540 2.3850 4 0 4 5 39.8351 2.9782 1 0 4 5 42.6155 2.7560 2 5 1 4 326.385 13.638 2 3 4 5 35.5804 5.5276 2 -2 5 5 85.8267 5.5546 1 -2 5 5 99.2341 3.7423 4 5 0 5 24.4013 2.4850 2 1 5 5 162.325 11.193 1 6 -1 -5 165.580 7.555 2 1 4 -6 602.632 20.454 4 1 4 -6 545.956 24.888 1 6 1 -4 603.090 24.573 2 -4 6 2 330.706 15.043 1 -4 6 5 37.8398 3.1539 1 0 3 -6 196.135 6.790 4 0 3 -6 207.154 9.940 3 -3 6 3 2.10791 1.33670 4 -3 6 3 2.96590 1.64062 1 2 2 -6 1123.83 44.10 2 2 2 -6 1174.93 36.18 4 6 -1 -2 509.399 20.314 2 -2 6 1 101.422 5.744 1 -2 6 1 88.0569 4.1698 4 -2 6 4 421.611 13.621 4 -2 6 4 413.889 18.933 1 -1 6 -4 354.388 24.046 1 -1 6 -4 335.285 11.568 4 6 1 -1 4.27515 2.09798 2 -2 1 -6 2074.59 96.05 3 2 -1 6 2575.89 97.19 1 6 0 -6 376.486 15.137 2 0 6 -6 360.317 12.454 4 0 6 -6 346.419 17.067 1 3 0 -6 214.621 26.572 2 3 0 -6 199.066 6.350 4 0 6 -3 166.928 9.834 1 0 6 -3 184.351 8.736 4 -3 0 6 200.721 6.381 4 0 6 0 306.295 15.224 1 0 6 0 315.869 10.972 4 6 0 0 315.150 13.604 2 -3 0 -6 178.507 7.957 3 3 0 6 185.717 7.421 2 3 0 6 183.553 8.136 1 1 6 -5 6.65324 2.16016 4 2 -1 -6 4287.37 170.65 3 -2 1 6 4194.12 174.03 1 -2 1 6 4052.05 170.93 3 -2 1 6 4032.47 128.95 4 6 -1 1 105.532 5.291 2 1 1 6 4122.59 172.33 1 1 1 6 4067.45 154.93 2 4 1 6 210.400 8.808 2 1 -2 -6 2878.85 116.09 3 -1 2 6 2862.39 107.81 2 -1 2 6 2834.94 120.52 1 -1 2 6 2782.05 87.81 4 -1 2 6 2781.62 127.35 3 6 1 2 90.4807 5.5310 2 2 2 6 849.795 36.380 1 2 2 6 868.890 32.999 2 5 2 6 353.297 14.834 2 -3 3 6 180.787 8.025 1 -3 3 6 175.209 6.019 4 0 3 6 192.797 6.323 4 0 3 6 203.240 7.995 2 0 3 6 197.301 8.859 1 6 0 3 179.504 8.886 2 3 3 6 318.709 13.079 2 2 -4 -6 946.186 40.215 3 -2 4 6 1015.82 41.70 1 -2 4 6 986.489 30.690 4 6 -1 4 483.917 19.383 2 1 4 6 419.902 19.157 2 1 4 6 445.092 19.161 1 -4 5 6 483.582 21.095 1 -1 5 6 146.659 5.081 4 -1 5 6 136.734 7.176 1 6 1 5 28.1128 6.0471 2 -3 6 6 346.064 11.588 4 -3 6 6 358.033 16.011 1 6 0 6 355.879 15.114 2 0 6 6 357.741 20.935 1 0 6 6 374.734 13.242 4 7 -2 -6 51.3034 8.6463 2 -1 6 -7 43.7239 4.5889 1 -5 7 -3 7.46817 2.30151 1 1 5 -7 200.578 7.975 4 -5 7 0 655.256 28.663 1 -4 7 -5 26.8618 3.4702 1 3 4 -7 4.51342 1.62145 4 -4 7 -2 10.9633 2.1826 1 7 -1 -4 251.499 11.537 2 0 4 -7 34.8933 2.5358 4 -4 7 1 10.6968 5.3046 1 -4 7 4 956.634 41.379 1 -3 7 -1 76.0879 5.9645 1 -3 7 2 128.631 5.129 4 -3 7 2 132.425 8.892 1 -3 7 5 8.85491 1.51717 4 -3 7 5 5.79537 1.95121 1 1 2 -7 688.245 29.669 3 1 2 -7 744.960 22.572 4 -2 7 0 346.600 11.736 4 -2 2 -7 65.1272 3.1629 3 2 -2 7 62.8426 3.2754 1 2 -2 7 62.2087 2.5929 2 -2 7 3 106.971 4.526 4 -2 7 6 179.738 6.518 4 -1 7 -5 28.0761 3.5717 4 3 1 -7 43.5066 2.1489 4 3 1 -7 41.3798 2.8313 2 -3 -1 7 38.4946 2.2949 4 -1 7 -2 96.5423 5.2610 4 7 -1 -1 31.7396 3.2873 2 0 1 -7 8.12691 2.53097 3 0 -1 7 6.45691 1.23413 1 -1 7 1 5.39322 1.78740 4 -3 1 -7 585.025 24.132 3 3 -1 7 586.259 24.812 1 -1 7 4 506.165 16.457 4 6 -1 7 210.478 9.009 2 5 0 -7 38.7343 4.3347 2 1 0 7 6.71555 1.19316 1 1 0 7 5.87178 0.86101 2 4 0 7 29.0040 2.0200 2 7 -1 -7 5.21737 1.96155 2 4 -1 -7 40.7335 1.7264 4 1 -1 -7 6.50219 1.64536 3 -1 1 7 8.97783 1.02127 4 -1 1 7 5.33845 2.03585 1 -1 1 7 8.21020 1.63119 3 2 1 7 295.822 13.263 1 2 1 7 312.364 11.902 2 5 1 7 8.42277 2.18826 2 -3 2 7 311.350 13.375 1 -3 2 7 313.914 10.070 4 7 -1 2 236.071 10.446 2 0 -2 -7 66.8684 3.0488 3 0 2 7 67.5008 3.1804 2 0 2 7 72.6661 3.6245 1 0 2 7 66.5373 3.1949 3 0 2 7 67.5585 2.5323 4 3 2 7 69.9726 3.6597 2 2 -3 -7 619.823 26.666 3 -2 3 7 650.046 26.578 3 -2 3 7 666.424 28.222 1 -2 3 7 643.070 20.250 4 1 3 7 41.6525 2.5618 2 1 3 7 47.7818 22.3445 1 4 3 7 27.7759 2.8066 2 -4 4 7 28.1951 2.9291 1 -1 4 7 33.8626 2.6811 1 -1 4 7 35.9127 2.0202 4 2 4 7 31.2725 2.5299 2 -3 5 7 170.609 6.036 4 -3 5 7 172.378 8.306 1 7 -1 5 4.47926 1.94287 2 0 5 7 32.4443 4.6552 1 0 5 7 29.0030 2.7963 4 -2 6 7 149.711 5.487 4 -2 6 7 149.299 7.740 1 -4 7 7 3.60018 1.56433 1 -1 7 7 3.62056 2.30333 4 0 5 -8 786.223 25.244 4 2 4 -8 578.602 18.772 4 1 3 -8 1625.82 50.69 4 3 2 -8 729.528 23.081 4 0 2 -8 1767.33 75.91 3 3 -2 8 1656.45 69.36 1 2 1 -8 2060.86 64.96 4 2 1 -8 2017.65 77.22 2 -2 -1 8 2016.68 62.93 4 1 -1 8 5097.17 212.31 1 7 -1 8 376.752 15.624 2 4 0 -8 2289.88 72.15 4 4 0 -8 2359.13 88.88 2 -4 0 8 2351.83 75.05 4 1 0 -8 5370.04 220.65 3 -1 0 8 5486.10 166.41 4 -1 0 8 5228.44 219.22 3 -1 0 8 5386.82 225.26 1 -2 0 -8 1393.61 59.57 3 2 0 8 1451.86 55.31 2 2 0 8 1491.92 63.29 1 5 0 8 747.028 29.002 2 6 -1 -8 169.327 7.848 2 -3 1 8 825.453 25.840 4 0 -1 -8 5298.80 208.03 3 0 1 8 4978.13 214.92 1 0 1 8 5033.52 194.27 2 3 1 8 2696.12 144.25 1 3 1 8 2540.69 100.67 2 2 -2 -8 1560.36 64.92 3 -2 2 8 1587.42 49.32 4 -2 2 8 1575.95 65.07 3 -2 2 8 1637.97 66.64 1 1 2 8 729.157 27.017 2 1 2 8 676.794 29.899 1 4 2 8 228.927 9.728 2 -4 3 8 2706.49 83.80 4 1 -3 -8 1940.05 78.70 3 -1 3 8 1933.63 72.90 2 -1 3 8 1941.84 83.78 1 -1 3 8 1854.27 60.90 4 2 3 8 521.747 20.569 2 2 3 8 527.837 22.911 1 -3 4 8 1173.97 50.69 1 -3 4 8 1228.75 39.28 4 0 4 8 2119.37 66.62 4 0 4 8 2052.37 94.51 1 0 4 8 2166.49 80.58 2 3 4 8 727.049 28.588 2 -2 5 8 566.569 25.427 1 -2 5 8 596.680 18.516 4 1 5 8 159.810 14.506 1 -4 6 8 447.372 20.016 1 -4 6 8 441.234 14.583 4 -1 6 8 303.577 16.257 1 -1 6 8 313.968 10.343 4 -3 7 8 444.737 14.803 4 0 6 -9 42.5121 6.3479 4 2 5 -9 25.8845 2.8153 4 1 4 -9 66.8219 3.6759 4 3 3 -9 32.0432 2.8256 4 0 3 -9 41.0674 2.4161 4 2 2 -9 53.3801 2.6766 4 1 -2 9 732.183 31.039 1 4 -2 9 41.9935 2.5533 1 7 -2 9 17.5713 2.1804 2 4 1 -9 13.2645 1.4226 4 -4 -1 9 12.9408 1.6463 4 1 1 -9 748.742 30.895 3 -1 -1 9 746.906 31.600 1 -2 1 -9 686.021 28.037 3 2 -1 9 675.898 28.874 1 5 -1 9 56.3749 3.0106 2 3 0 -9 165.590 7.034 2 3 0 -9 165.448 5.669 4 -3 0 9 165.076 5.973 4 0 0 -9 639.742 26.522 3 0 0 9 651.877 27.298 1 3 0 9 32.0476 2.2739 1 3 0 9 32.0921 1.7097 2 6 0 9 37.1336 5.1040 2 5 -1 -9 2.5908 10.5817 2 2 -1 -9 753.529 31.185 3 -2 1 9 750.640 23.638 4 -2 1 9 771.021 31.871 1 -2 1 9 751.124 31.193 3 -1 -1 -9 733.808 29.325 3 1 1 9 727.210 30.283 1 1 1 9 680.739 27.239 2 4 1 9 72.8581 3.6505 2 -4 2 9 17.5061 1.9143 4 1 -2 -9 712.443 29.154 3 -1 2 9 719.318 30.182 1 -1 2 9 685.795 22.176 4 -1 2 9 729.148 30.703 3 2 2 9 19.4979 2.5780 2 2 2 9 13.2629 1.7414 1 5 2 9 92.6819 5.0565 2 -3 3 9 32.1760 2.3773 1 -3 3 9 32.8672 2.6591 4 0 3 9 156.655 5.130 4 0 3 9 153.906 11.696 1 0 3 9 158.394 6.650 2 3 3 9 2.91701 1.36302 2 -2 4 9 51.2165 3.8022 1 -2 4 9 51.5267 3.0006 4 1 4 9 1.79193 1.19729 1 1 4 9 0.29330 1.18838 2 -4 5 9 46.5996 4.1760 4 -4 5 9 45.2044 3.6314 1 -1 5 9 12.7801 3.3942 1 -1 5 9 11.7266 2.5919 4 -3 6 9 25.8029 2.9641 4 -3 6 9 26.0842 4.7480 1 -2 7 9 30.5981 4.0305 4 1 5 -10 304.869 12.741 4 2 3 -10 1042.15 35.32 4 4 2 -10 258.878 8.899 4 1 2 -10 1078.26 33.72 4 2 -2 10 1695.58 71.07 1 3 1 -10 70.9070 3.7847 4 -3 -1 10 61.9965 2.9436 4 0 1 -10 495.581 20.417 3 0 -1 10 482.872 20.919 1 -3 1 -10 904.787 37.166 3 3 -1 10 854.762 37.192 1 6 -1 10 275.799 11.533 2 -2 0 10 1919.09 61.54 4 -2 0 10 2013.53 82.21 1 -1 0 -10 434.441 19.193 3 1 0 10 437.364 17.284 2 1 0 10 452.478 18.968 1 4 0 10 24.4120 2.1272 2 4 -1 -10 312.067 10.811 4 -4 1 10 333.964 10.668 4 1 -1 -10 481.588 20.023 3 -1 1 10 476.015 15.149 4 -1 1 10 501.414 20.079 3 -1 1 10 473.011 20.623 1 2 1 10 1003.55 39.36 2 2 1 10 1015.26 42.69 1 5 1 10 435.174 17.431 2 -3 2 10 1088.85 34.49 4 -3 2 10 1124.57 48.11 1 0 2 10 1750.39 67.27 2 0 2 10 1791.24 74.30 1 3 2 10 326.187 13.084 2 5 -3 -10 329.371 10.492 4 2 -3 -10 914.881 37.068 3 -2 3 10 893.546 38.280 1 -2 3 10 891.039 40.620 3 -2 3 10 910.026 28.217 4 1 3 10 315.853 12.959 2 1 3 10 331.981 14.484 1 4 3 10 142.230 6.642 2 -4 4 10 24.1240 2.4512 4 -1 4 10 56.2551 4.2109 4 -1 4 10 68.6295 3.4761 2 -1 4 10 34.5555 13.3483 1 2 4 10 193.338 9.325 1 2 4 10 193.097 8.445 2 -3 5 10 918.350 30.206 4 -3 5 10 888.298 38.643 1 0 5 10 320.698 22.096 1 -2 6 10 245.415 10.474 4 -2 6 10 238.145 11.561 1 -4 7 10 13.8251 3.4630 4 2 4 -11 6.14034 1.92012 4 4 3 -11 22.8469 1.9730 4 1 3 -11 41.2079 3.4166 4 3 -2 11 99.0921 4.8999 1 -5 -1 11 30.1476 2.3783 4 -2 -1 11 108.797 4.103 4 1 -1 11 65.9755 3.5892 1 4 -1 11 36.7859 2.5468 1 4 0 -11 30.0831 2.1645 4 -4 0 11 32.2289 2.2695 4 1 0 -11 67.0513 6.9812 3 -1 0 11 67.8431 3.5820 1 -1 0 11 70.1068 2.5844 4 -2 0 -11 106.473 4.827 3 2 0 11 112.080 5.346 1 2 0 11 108.152 4.563 2 5 0 11 50.7430 3.3339 2 -3 1 11 169.315 5.967 4 0 -1 -11 63.5846 5.4130 3 0 1 11 64.6047 3.5478 1 3 1 11 28.8123 2.0313 2 3 1 11 30.5704 2.4148 1 5 -2 -11 200.479 6.552 4 2 -2 -11 119.358 5.847 3 -2 2 11 122.097 5.704 1 -2 2 11 117.854 4.204 4 -2 2 11 110.440 6.054 3 1 2 11 168.738 9.771 1 1 2 11 164.912 6.918 2 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