data_raydemarkite _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H2 Mo O4' _chemical_formula_weight 161.96 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' 'Mo' 'Mo' -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' _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 7.3750(2) _cell_length_b 3.70920(10) _cell_length_c 6.6833(2) _cell_angle_alpha 108.1080(10) _cell_angle_beta 112.779(2) _cell_angle_gamma 91.7420(10) _cell_volume 157.828(8) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 3276 _cell_measurement_theta_min 3.041 _cell_measurement_theta_max 33.175 _exptl_crystal_description Prismatic _exptl_crystal_colour colorless _exptl_crystal_density_meas 3.44 _exptl_crystal_density_method floating _exptl_crystal_density_diffrn 3.408 _exptl_crystal_F_000 152 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.060 _exptl_crystal_size_mid 0.040 _exptl_crystal_size_min 0.030 _exptl_absorpt_coefficient_mu 3.968 _shelx_estimated_absorpt_T_min 0.797 _shelx_estimated_absorpt_T_max 0.890 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.78 _exptl_absorpt_correction_T_max 0.90 _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 Bruker-APEX2 _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 1184 _diffrn_reflns_av_unetI/netI 0.0221 _diffrn_reflns_av_R_equivalents 0.0203 _diffrn_reflns_limit_h_min ? _diffrn_reflns_limit_h_max ? _diffrn_reflns_limit_k_min ? _diffrn_reflns_limit_k_max ? _diffrn_reflns_limit_l_min ? _diffrn_reflns_limit_l_max ? _diffrn_reflns_theta_min 3.530 _diffrn_reflns_theta_max 33.204 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.980 _diffrn_measured_fraction_theta_full 0.982 _diffrn_reflns_Laue_measured_fraction_max 0.980 _diffrn_reflns_Laue_measured_fraction_full 0.982 _diffrn_reflns_point_group_measured_fraction_max 0.980 _diffrn_reflns_point_group_measured_fraction_full 0.982 _reflns_number_total 1184 _reflns_number_gt 1116 _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-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _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^)+(0.0218P)^2^+0.0278P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens difmap _refine_ls_hydrogen_treatment refall _refine_ls_extinction_method 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_extinction_coef 0.021(2) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 1184 _refine_ls_number_parameters 55 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0189 _refine_ls_R_factor_gt 0.0170 _refine_ls_wR_factor_ref 0.0401 _refine_ls_wR_factor_gt 0.0394 _refine_ls_goodness_of_fit_ref 1.085 _refine_ls_restrained_S_all 1.085 _refine_ls_shift/su_max 0.001 _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 Mo Mo 0.20562(2) 0.78601(3) 0.54105(2) 0.00961(6) Uani 1 1 d . . . . . O1 O 0.4561(2) 0.8796(4) 0.6990(3) 0.0223(3) Uani 1 1 d . . . . . O2 O 0.12787(19) 0.2909(3) 0.5582(2) 0.0130(3) Uani 1 1 d . . . . . O3 O 0.1807(2) 0.6367(4) 0.2637(3) 0.0208(3) Uani 1 1 d . . . . . O4 O 0.1884(3) 0.9900(5) 0.8987(3) 0.0219(3) Uani 1 1 d . . . . . H1 H 0.266(5) 0.986(8) 0.990(5) 0.026(8) Uiso 1 1 d . . . . . H2 H 0.129(5) 1.122(9) 0.932(6) 0.036(9) 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 Mo 0.00951(9) 0.00749(8) 0.01199(9) 0.00430(6) 0.00391(6) 0.00223(5) O1 0.0131(7) 0.0242(7) 0.0272(8) 0.0108(6) 0.0044(6) 0.0029(5) O2 0.0122(6) 0.0086(5) 0.0192(7) 0.0070(5) 0.0057(5) 0.0034(4) O3 0.0282(8) 0.0203(6) 0.0173(7) 0.0061(6) 0.0135(7) 0.0049(6) O4 0.0235(8) 0.0265(8) 0.0125(8) 0.0055(6) 0.0047(7) 0.0093(7) _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 Mo O3 1.6935(15) . ? Mo O1 1.6945(15) . ? Mo O2 1.9575(11) . ? Mo O2 1.9575(11) 1_565 ? Mo O2 2.2687(13) 2_566 ? Mo O4 2.3278(17) . ? 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 O3 Mo O1 103.56(8) . . ? O3 Mo O2 99.57(6) . . ? O1 Mo O2 102.61(6) . . ? O3 Mo O2 97.76(7) . 1_565 ? O1 Mo O2 105.06(7) . 1_565 ? O2 Mo O2 142.68(7) . 1_565 ? O3 Mo O2 94.39(6) . 2_566 ? O1 Mo O2 162.01(7) . 2_566 ? O2 Mo O2 72.85(5) . 2_566 ? O2 Mo O2 73.08(5) 1_565 2_566 ? O3 Mo O4 171.40(7) . . ? O1 Mo O4 84.96(8) . . ? O2 Mo O4 79.42(6) . . ? O2 Mo O4 78.59(6) 1_565 . ? O2 Mo O4 77.11(6) 2_566 . ? Mo O2 Mo 142.68(7) . 1_545 ? Mo O2 Mo 107.15(5) . 2_566 ? Mo O2 Mo 106.92(5) 1_545 2_566 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag O4 H1 O1 0.66(3) 2.18(3) 2.827(2) 165(3) 2_677 yes O4 H2 O3 0.71(3) 2.32(3) 2.861(2) 135(3) 1_566 yes O4 H2 O3 0.71(3) 2.50(3) 3.063(3) 137(3) 2_576 yes _refine_diff_density_max 0.571 _refine_diff_density_min -0.787 _refine_diff_density_rms 0.138 _shelx_res_file ; TITL Raydemarkite in P-1 ray.res created by SHELXL-2018/3 at 06:54:28 on 22-Jan-2022 CELL 0.71073 7.3750 3.7092 6.6833 108.108 112.779 91.742 ZERR 2.000 0.0002 0.0001 0.0002 0.001 0.002 0.001 LATT 1 SFAC O MO H UNIT 8 2 4 L.S. 8 BOND FMAP 2 PLAN 20 EQIV $4 -x+1, -y+2, -z+2 HTAB O4 O1_$4 EQIV $5 x, y+1, z+1 HTAB O4 O3_$5 EQIV $6 -x, -y+2, -z+1 HTAB O4 O3_$6 ACTA OMIT 1 0 0 WGHT 0.021800 0.027800 EXTI 0.020928 FVAR 0.37828 MO 2 0.205616 0.786014 0.541055 11.00000 0.00951 0.00749 = 0.01199 0.00430 0.00391 0.00223 O1 1 0.456139 0.879623 0.699014 11.00000 0.01311 0.02417 = 0.02715 0.01081 0.00438 0.00286 O2 1 0.127873 0.290909 0.558178 11.00000 0.01218 0.00864 = 0.01917 0.00701 0.00572 0.00343 O3 1 0.180689 0.636728 0.263714 11.00000 0.02823 0.02029 = 0.01735 0.00606 0.01353 0.00486 O4 1 0.188425 0.989950 0.898718 11.00000 0.02347 0.02646 = 0.01247 0.00549 0.00471 0.00934 H1 3 0.265680 0.985785 0.990448 11.00000 0.02621 H2 3 0.128931 1.122170 0.932334 11.00000 0.03581 HKLF 4 REM Raydemarkite in P-1 REM wR2 = 0.0401, GooF = S = 1.085, Restrained GooF = 1.085 for all data REM R1 = 0.0170 for 1116 Fo > 4sig(Fo) and 0.0189 for all 1184 data REM 55 parameters refined using 0 restraints END WGHT 0.0218 0.0278 REM Highest difference peak 0.571, deepest hole -0.787, 1-sigma level 0.138 Q1 1 0.1860 0.7017 0.3838 11.00000 0.05 0.57 Q2 1 0.0387 0.2732 0.5379 11.00000 0.05 0.51 Q3 1 0.3973 0.7623 0.5839 11.00000 0.05 0.50 Q4 1 0.0982 0.5893 0.2815 11.00000 0.05 0.46 Q5 1 0.3657 0.8708 0.7721 11.00000 0.05 0.45 Q6 1 -0.0236 0.4560 0.2097 11.00000 0.05 0.42 Q7 1 0.3769 0.9644 0.5881 11.00000 0.05 0.41 Q8 1 0.3628 0.7985 0.4340 11.00000 0.05 0.41 Q9 1 0.0893 0.8206 1.0347 11.00000 0.05 0.40 Q10 1 0.2075 0.8701 0.6378 11.00000 0.05 0.40 Q11 1 0.1053 0.4434 0.5597 11.00000 0.05 0.40 Q12 1 0.1056 0.7813 0.5393 11.00000 0.05 0.40 Q13 1 0.1612 0.6061 0.1593 11.00000 0.05 0.40 Q14 1 0.3427 0.9394 0.6800 11.00000 0.05 0.39 Q15 1 0.5044 0.6513 0.6236 11.00000 0.05 0.39 Q16 1 0.1965 0.2085 0.3911 11.00000 0.05 0.38 Q17 1 0.5594 0.6982 0.4625 11.00000 0.05 0.37 Q18 1 0.1703 1.2544 0.9368 11.00000 0.05 0.37 Q19 1 0.2889 0.5445 0.3532 11.00000 0.05 0.36 Q20 1 0.1973 1.5545 1.0346 11.00000 0.05 0.36 ; _shelx_res_checksum 75353 _shelx_hkl_file ; 0 -1 1 13.07 0.34 0 -2 2 576.43 5.00 0 -3 3 2.25 0.10 0 -4 4 137.19 3.01 0 -5 5 1.84 0.27 0 5 -6 11.83 0.66 0 4 -5 121.33 1.61 0 3 -4 21.99 0.39 0 2 -3 242.68 2.17 0 1 -2 13.87 0.17 0 0 -1 741.46 6.29 0 -1 0 108.31 0.92 0 -2 1 1000.00 8.61 0 -3 2 8.60 0.15 0 5 -7 11.39 0.83 0 4 -6 70.65 1.41 0 3 -5 57.14 0.84 0 2 -4 204.55 1.65 0 1 -3 96.79 0.77 0 0 -2 315.73 2.49 0 -1 -1 21.71 0.24 0 -2 0 316.04 2.52 0 -3 1 58.13 0.66 0 -4 2 238.02 2.91 0 4 -7 43.53 1.16 0 3 -6 30.52 0.66 0 2 -5 97.20 0.98 0 1 -4 157.01 1.24 0 0 -3 167.78 1.50 0 -1 -2 171.46 1.33 0 -2 -1 156.25 1.15 0 -3 0 40.15 0.55 0 -4 1 93.50 1.12 0 -5 2 30.97 0.93 0 4 -8 9.01 1.10 0 3 -7 61.35 1.78 0 2 -6 64.46 1.22 0 1 -5 56.26 0.70 0 0 -4 90.96 0.99 0 -1 -3 166.46 1.41 0 -2 -2 58.34 0.62 0 -3 -1 111.41 1.27 0 -4 0 47.21 0.78 0 -5 1 29.61 1.05 0 3 -8 74.10 2.85 0 2 -7 0.66 0.46 0 1 -6 128.06 1.83 0 0 -5 50.54 0.87 0 -1 -4 89.23 1.07 0 -2 -3 39.21 0.60 0 -3 -2 101.83 1.29 0 -4 -1 12.35 0.54 0 -5 0 56.90 1.33 0 3 -9 55.32 2.63 0 2 -8 2.71 0.78 0 1 -7 101.83 3.77 0 0 -6 4.16 0.47 0 -1 -5 137.23 2.40 0 -2 -4 8.04 0.70 0 -3 -3 82.23 2.03 0 -4 -2 6.15 0.90 0 -5 -1 43.64 1.93 0 2 -9 3.01 0.93 0 1 -8 84.28 3.73 0 0 -7 13.44 0.81 0 -1 -6 83.42 1.98 0 -2 -5 14.13 1.39 0 -3 -4 83.30 3.07 0 -4 -3 0.22 0.49 0 1 -9 37.08 2.78 0 0 -8 17.15 1.91 0 -1 -7 65.14 3.43 0 -2 -6 19.76 1.83 0 -3 -5 41.58 2.28 0 -4 -4 18.84 1.81 0 -1 -8 29.08 2.61 0 -2 -7 20.23 2.01 1 3 5 2.27 0.82 1 2 6 61.74 2.92 1 1 7 0.00 1.28 1 0 8 65.87 3.39 1 4 3 71.71 2.87 1 3 4 0.03 0.48 1 2 5 106.80 3.67 1 1 6 1.67 0.80 1 0 7 75.40 2.34 1 -1 8 1.42 1.39 1 -2 9 53.17 2.81 1 4 2 74.84 2.71 1 3 3 23.19 1.45 1 2 4 126.58 2.79 1 1 5 6.47 0.63 1 0 6 161.77 3.01 1 -1 7 0.12 1.16 1 -2 8 75.63 3.12 1 5 0 24.04 0.84 1 4 1 88.51 1.53 1 3 2 49.15 0.92 1 2 3 125.37 1.63 1 1 4 78.42 1.09 1 0 5 125.14 2.04 1 -1 6 30.99 0.87 1 -2 7 131.00 4.06 1 -3 8 5.98 1.01 1 5 -1 32.87 1.13 1 4 0 32.24 0.63 1 3 1 95.69 1.16 1 2 2 155.39 1.34 1 1 3 143.19 1.33 1 0 4 124.46 1.36 1 -1 5 106.72 1.14 1 -2 6 69.59 1.84 1 -3 7 39.15 1.90 1 -4 8 56.30 2.44 1 5 -2 54.18 1.33 1 4 -1 9.51 0.30 1 3 0 72.36 0.85 1 2 1 18.28 0.25 1 1 2 219.62 1.68 1 0 3 142.35 1.40 1 -1 4 222.99 1.78 1 -2 5 63.74 0.77 1 -3 6 81.96 1.44 1 -4 7 23.96 1.42 1 4 -2 3.54 0.33 1 3 -1 165.76 1.79 1 2 0 2.68 0.14 1 1 1 55.99 0.50 1 0 2 0.27 0.06 1 -1 3 225.37 1.62 1 -2 4 30.15 0.40 1 -3 5 152.60 1.84 1 -4 6 14.61 0.57 1 2 -1 1.57 0.07 1 1 0 432.28 2.78 1 0 1 0.13 0.05 1 -1 2 48.46 0.43 1 -2 3 2.07 0.09 1 -3 4 125.16 1.46 1 -4 5 1.46 0.20 1 -5 6 68.92 1.91 1 1 -1 814.83 6.47 1 0 0 38.48 1.25 1 -1 1 578.39 3.70 1 -2 2 11.17 0.20 1 -3 3 85.74 0.85 1 -4 4 5.09 0.25 1 -5 5 52.24 2.06 1 5 -6 45.07 1.23 1 4 -5 102.53 1.84 1 3 -4 139.08 1.54 1 2 -3 131.43 1.26 1 1 -2 325.34 1.83 1 0 -1 227.56 1.88 1 -1 0 663.42 4.26 1 -2 1 173.63 1.50 1 -3 2 233.01 2.21 1 -4 3 24.81 0.43 1 -5 4 45.26 1.74 1 5 -7 25.27 1.02 1 4 -6 98.61 1.69 1 3 -5 55.30 0.78 1 2 -4 418.97 3.14 1 1 -3 205.64 1.36 1 0 -2 389.83 3.15 1 -1 -1 299.54 2.01 1 -2 0 198.25 1.53 1 -3 1 183.90 1.58 1 -4 2 98.68 1.14 1 -5 3 64.75 1.54 1 4 -7 65.18 1.41 1 3 -6 35.21 0.67 1 2 -5 227.73 1.88 1 1 -4 23.89 0.34 1 0 -3 863.45 6.60 1 -1 -2 86.14 0.76 1 -2 -1 328.02 2.22 1 -3 0 88.43 0.90 1 -4 1 105.28 1.26 1 -5 2 40.46 1.17 1 4 -8 69.37 2.52 1 3 -7 12.21 0.63 1 2 -6 125.61 1.63 1 1 -5 45.79 0.54 1 0 -4 296.87 2.61 1 -1 -3 2.55 0.15 1 -2 -2 454.31 3.27 1 -3 -1 13.34 0.35 1 -4 0 155.29 1.83 1 -5 1 19.16 0.65 1 3 -8 0.87 0.51 1 2 -7 120.85 3.58 1 1 -6 4.12 0.28 1 0 -5 186.30 2.15 1 -1 -4 25.38 0.45 1 -2 -3 198.67 1.66 1 -3 -2 0.14 0.12 1 -4 -1 155.46 1.94 1 -5 0 0.47 0.24 1 3 -9 2.28 0.73 1 2 -8 78.03 2.98 1 1 -7 11.89 0.89 1 0 -6 122.79 2.36 1 -1 -5 0.74 0.23 1 -2 -4 138.48 2.84 1 -3 -3 1.79 0.28 1 -4 -2 91.85 1.81 1 -5 -1 0.22 0.33 1 2 -9 68.23 3.00 1 1 -8 8.50 1.63 1 0 -7 78.54 1.87 1 -1 -6 23.84 0.99 1 -2 -5 76.86 2.08 1 -3 -4 8.65 1.12 1 -4 -3 64.96 1.85 1 1 -9 27.33 2.43 1 0 -8 57.39 2.04 1 -1 -7 26.21 1.44 1 -2 -6 51.20 2.52 1 -3 -5 21.37 1.85 1 -4 -4 29.88 1.34 1 0 -9 3.52 1.08 1 -1 -8 40.44 2.85 1 -2 -7 29.11 2.47 1 -3 -6 27.64 2.35 2 2 6 1.74 0.87 2 1 7 41.46 2.93 2 0 8 4.77 1.23 2 4 3 12.46 1.43 2 3 4 46.68 2.35 2 2 5 6.58 1.09 2 1 6 52.48 3.03 2 0 7 8.43 0.97 2 -1 8 38.41 2.84 2 4 2 37.08 1.89 2 3 3 38.34 1.97 2 2 4 49.21 2.24 2 1 5 65.73 1.66 2 0 6 22.01 0.98 2 -1 7 61.57 3.13 2 -2 8 15.51 1.69 2 5 0 27.88 0.95 2 4 1 91.09 1.87 2 3 2 64.66 1.24 2 2 3 103.36 2.32 2 1 4 40.63 0.94 2 0 5 87.98 1.91 2 -1 6 49.97 1.59 2 -2 7 38.66 2.09 2 -3 8 33.25 2.02 2 5 -1 5.90 0.58 2 4 0 125.94 1.84 2 3 1 37.10 0.66 2 2 2 279.63 2.37 2 1 3 92.92 1.00 2 0 4 198.38 2.12 2 -1 5 25.76 0.76 2 -2 6 93.55 3.14 2 -3 7 18.75 1.64 2 5 -2 0.80 0.24 2 4 -1 112.35 1.54 2 3 0 0.53 0.11 2 2 1 287.64 2.17 2 1 2 21.40 0.36 2 0 3 552.71 4.47 2 -1 4 52.70 0.65 2 -2 5 206.98 2.66 2 -3 6 8.80 1.00 2 -4 7 60.82 2.47 2 4 -2 158.30 3.42 2 3 -1 2.23 0.15 2 2 0 209.86 1.52 2 1 1 7.97 0.17 2 0 2 364.02 2.89 2 -1 3 0.20 0.08 2 -2 4 402.71 3.21 2 -3 5 5.58 0.34 2 -4 6 122.65 2.75 2 3 -2 20.21 0.31 2 2 -1 374.27 2.96 2 1 0 26.50 0.27 2 0 1 259.48 1.97 2 -1 2 16.56 0.25 2 -2 3 204.47 1.43 2 -3 4 7.26 0.31 2 -4 5 163.42 2.30 2 -5 6 0.27 0.31 2 3 -3 13.31 0.31 2 2 -2 202.45 1.69 2 1 -1 94.82 0.65 2 0 0 547.88 3.77 2 -1 1 92.74 0.72 2 -2 2 177.74 1.22 2 -3 3 22.11 0.42 2 -4 4 83.80 1.28 2 -5 5 9.35 0.67 2 4 -5 36.27 1.06 2 3 -4 93.26 1.08 2 2 -3 153.55 1.46 2 1 -2 4.05 0.09 2 0 -1 238.31 1.72 2 -1 0 141.76 0.94 2 -2 1 206.77 1.60 2 -3 2 86.36 0.95 2 -4 3 69.79 1.06 2 -5 4 20.04 0.69 2 5 -7 56.67 1.55 2 4 -6 6.91 0.39 2 3 -5 208.51 2.17 2 2 -4 24.03 0.38 2 1 -3 325.14 1.99 2 0 -2 219.80 1.68 2 -1 -1 34.85 0.35 2 -2 0 110.12 0.80 2 -3 1 109.28 1.07 2 -4 2 46.19 0.72 2 -5 3 50.96 1.16 2 4 -7 0.35 0.20 2 3 -6 140.39 1.68 2 2 -5 0.05 0.06 2 1 -4 478.77 3.21 2 0 -3 3.87 0.15 2 -1 -2 468.78 2.99 2 -2 -1 50.14 0.49 2 -3 0 97.00 1.01 2 -4 1 22.47 0.49 2 -5 2 57.72 1.20 2 4 -8 7.66 0.58 2 3 -7 105.21 1.98 2 2 -6 1.19 0.17 2 1 -5 251.17 1.94 2 0 -4 15.12 0.31 2 -1 -3 441.17 3.41 2 -2 -2 24.28 0.35 2 -3 -1 239.29 2.37 2 -4 0 1.43 0.19 2 -5 1 66.29 1.40 2 4 -9 12.79 1.28 2 3 -8 59.52 2.33 2 2 -7 39.81 1.27 2 1 -6 152.88 1.28 2 0 -5 17.09 0.39 2 -1 -4 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