####################################################################### # # This file contains crystal structure data downloaded from the # Cambridge Structural Database (CSD) hosted by the Cambridge # Crystallographic Data Centre (CCDC). # # Full information about CCDC data access policies and citation # guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 # # Audit and citation data items may have been added by the CCDC. # Please retain this information to preserve the provenance of # this file and to allow appropriate attribution of the data. # ####################################################################### data_b_120k _database_code_depnum_ccdc_archive 'CCDC 2302390' loop_ _audit_author_name _audit_author_address 'Masanori Wakizaka' ;Chitose Institute of Science and Technology Japan ; _audit_update_record ; 2023-10-20 deposited with the CCDC. 2023-10-20 downloaded from the CCDC. ; # start Validation Reply Form _vrf_PLAT972_b_120k ; PROBLEM: Check Calcd Resid. Dens. 2.42Ang From N2 -4.02 eA-3 RESPONSE: Due to hevey atoms (Pt and I). ; _vrf_PLAT974_b_120k ; PROBLEM: Check Calcd Negative Resid. Density on Pt1 -4.55 eA-3 RESPONSE: Due to hevey atoms (Pt and I). ; _vrf_PLAT972_b_120k_2 ; PROBLEM: Check Calcd Resid. Dens. 1.33Ang From I1 -3.02 eA-3 RESPONSE: Due to hevey atoms (Pt and I). ; _vrf_PLAT972_b_120k_3 ; PROBLEM: Check Calcd Resid. Dens. 0.11Ang From I2 -2.97 eA-3 RESPONSE: Due to hevey atoms (Pt and I). ; _vrf_PLAT972_b_120k_4 ; PROBLEM: Check Calcd Resid. Dens. 0.15Ang From I1 -2.77 eA-3 RESPONSE: Due to hevey atoms (Pt and I). ; # Added during the CSD deposition process: Friday 20 October 2023 09:25 AM # end Validation Reply Form _audit_creation_date 2021-12-12 _audit_creation_method ; Olex2 1.3-ac4 (compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739) ; _shelx_SHELXL_version_number 2018/3 _audit_contact_author_address ? _audit_contact_author_email ? _audit_contact_author_phone ? _publ_contact_author_id_orcid ? _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8. Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8. ; _chemical_name_common ? _chemical_name_systematic '[Pt(en)2I2]I2.2H2O' _chemical_formula_moiety 'C4 H16 I2 N4 Pt, 2(I), 2(H2 O)' _chemical_formula_sum 'C4 H20 I4 N4 O2 Pt' _chemical_formula_weight 858.93 _chemical_melting_point ? _chemical_oxdiff_formula 'Pt I3 N4 C4 H16 O' 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' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 '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' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _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. ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 7.0858(3) _cell_length_b 7.6608(3) _cell_length_c 8.2660(4) _cell_angle_alpha 68.185(4) _cell_angle_beta 84.185(4) _cell_angle_gamma 89.502(4) _cell_volume 414.22(3) _cell_formula_units_Z 1 _cell_measurement_reflns_used 6094 _cell_measurement_temperature 120 _cell_measurement_theta_max 31.7820 _cell_measurement_theta_min 3.0810 _shelx_estimated_absorpt_T_max 0.299 _shelx_estimated_absorpt_T_min 0.143 _exptl_absorpt_coefficient_mu 15.915 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.30664 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.61a (Rigaku Oxford Diffraction, 2019) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour 'clear dark red' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier dark _exptl_crystal_colour_primary red _exptl_crystal_density_diffrn 3.443 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description plate _exptl_crystal_F_000 378 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0534 _diffrn_reflns_av_unetI/netI 0.0389 _diffrn_reflns_Laue_measured_fraction_full 0.975 _diffrn_reflns_Laue_measured_fraction_max 0.829 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_number 6597 _diffrn_reflns_point_group_measured_fraction_full 0.975 _diffrn_reflns_point_group_measured_fraction_max 0.829 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 31.823 _diffrn_reflns_theta_min 3.104 _diffrn_ambient_temperature 120 _diffrn_detector 'Rigaku HyPix-6000 area detector' _diffrn_detector_area_resol_mean 10.0 _diffrn_detector_type 'HPC area detector' _diffrn_measured_fraction_theta_full 0.975 _diffrn_measured_fraction_theta_max 0.829 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -71.00 85.00 0.50 1.00 -- 0.00 45.00 150.00 312 2 \w -89.00 62.00 0.50 1.00 -- 0.00 45.00 60.00 302 3 \w -46.00 -10.00 0.50 1.00 -- 0.00 45.00 0.00 72 ; _diffrn_measurement_device 'three-circle diffractometer' _diffrn_measurement_device_type 'Rigaku AFC HyPix-6000' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0091403000 _diffrn_orient_matrix_UB_12 -0.0569680000 _diffrn_orient_matrix_UB_13 0.0886542000 _diffrn_orient_matrix_UB_21 0.0604698000 _diffrn_orient_matrix_UB_22 0.0700265000 _diffrn_orient_matrix_UB_23 0.0062441000 _diffrn_orient_matrix_UB_31 -0.0799629000 _diffrn_orient_matrix_UB_32 0.0425056000 _diffrn_orient_matrix_UB_33 0.0272201000 _diffrn_oxdiff_digest_frames ; 011e9352b53b50d2ff197395fb422d0439000336be2 ; _diffrn_oxdiff_digest_hkl ; 01bf3059ed21c717fe3ecbc8c1625e67f6796b ; _diffrn_radiation_monochromator 'multi-layer mirror optics' _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_source 'rotating anode X-ray generator' _diffrn_source_type micromax007 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 2341 _reflns_number_total 2354 _reflns_odcompleteness_completeness 97.92 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 27.04 _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. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)' _computing_data_collection 'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)' _computing_data_reduction 'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _refine_diff_density_max 2.776 _refine_diff_density_min -4.973 _refine_diff_density_rms 0.432 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.129 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 73 _refine_ls_number_reflns 2354 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0341 _refine_ls_R_factor_gt 0.0330 _refine_ls_restrained_S_all 1.129 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0514P)^2^+1.7687P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0865 _refine_ls_wR_factor_ref 0.0868 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H,H) groups, All N(H,H) groups At 1.5 times of: All O(H,H) groups 2.a Free rotating group: O1(H1E,H1F) 2.b Secondary CH2 refined with riding coordinates: N2(H2A,H2B), N1(H1A,H1B), C2(H2C,H2D), C1(H1C,H1D) ; _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _atom_sites_solution_secondary ? 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 Pt1 Pt 0.500000 0.500000 1.000000 0.00516(9) Uani 1 2 d S T P . . I1 I 0.76710(4) 0.33879(4) 0.85491(4) 0.00923(10) Uani 1 1 d . . . . . I2 I 0.19385(5) 1.15498(5) 0.63506(4) 0.01171(10) Uani 1 1 d . . . . . N2 N 0.5221(6) 0.7388(6) 0.7739(6) 0.0084(7) Uani 1 1 d . . . . . H2A H 0.581811 0.712067 0.683424 0.010 Uiso 1 1 calc R . . . . H2B H 0.404234 0.779541 0.746175 0.010 Uiso 1 1 calc R . . . . N1 N 0.2882(6) 0.3622(6) 0.9357(6) 0.0093(8) Uani 1 1 d . . . . . H1A H 0.195742 0.443770 0.890602 0.011 Uiso 1 1 calc R . . . . H1B H 0.336604 0.317449 0.852900 0.011 Uiso 1 1 calc R . . . . C2 C 0.6320(7) 0.8883(7) 0.8019(7) 0.0106(9) Uani 1 1 d . . . . . H2C H 0.549326 0.949998 0.867335 0.013 Uiso 1 1 calc R . . . . H2D H 0.681637 0.984923 0.687774 0.013 Uiso 1 1 calc R . . . . O1 O 0.2005(7) 0.6554(7) 0.6170(6) 0.0204(9) Uani 1 1 d . . . . . H1E H 0.112909 0.726897 0.569494 0.031 Uiso 1 1 d G . . . . H1F H 0.208541 0.574876 0.568579 0.031 Uiso 1 1 d G . . . . C1 C 0.2064(7) 0.2035(7) 1.0951(7) 0.0114(9) Uani 1 1 d . . . . . H1C H 0.139141 0.111459 1.061478 0.014 Uiso 1 1 calc R . . . . H1D H 0.114782 0.250826 1.166648 0.014 Uiso 1 1 calc R . . . . 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 Pt1 0.00630(14) 0.00635(14) 0.00262(14) -0.00127(9) -0.00108(9) -0.00031(8) I1 0.00961(16) 0.01018(16) 0.00805(16) -0.00394(12) 0.00045(11) 0.00101(11) I2 0.01423(17) 0.01408(17) 0.00671(17) -0.00352(12) -0.00206(12) 0.00124(11) N2 0.0142(19) 0.0068(18) 0.0028(17) 0.0000(14) -0.0014(14) -0.0020(14) N1 0.0101(18) 0.0097(19) 0.0079(19) -0.0024(15) -0.0037(14) -0.0010(14) C2 0.013(2) 0.010(2) 0.009(2) -0.0027(17) -0.0030(17) -0.0032(16) O1 0.023(2) 0.022(2) 0.016(2) -0.0044(17) -0.0103(17) 0.0009(16) C1 0.012(2) 0.012(2) 0.008(2) -0.0014(17) -0.0006(17) -0.0042(16) _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 Pt1 I1 2.6732(3) . ? Pt1 I1 2.6731(3) 2_667 ? Pt1 N2 2.066(4) 2_667 ? Pt1 N2 2.066(4) . ? Pt1 N1 2.063(4) 2_667 ? Pt1 N1 2.063(4) . ? N2 C2 1.490(6) . ? N1 C1 1.489(7) . ? C2 C1 1.506(7) 2_667 ? 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 I1 Pt1 I1 180.0 2_667 . ? N2 Pt1 I1 90.29(13) 2_667 2_667 ? N2 Pt1 I1 89.71(13) 2_667 . ? N2 Pt1 I1 90.29(13) . . ? N2 Pt1 I1 89.71(13) . 2_667 ? N2 Pt1 N2 180.0(2) 2_667 . ? N1 Pt1 I1 91.09(13) . . ? N1 Pt1 I1 88.91(13) . 2_667 ? N1 Pt1 I1 91.09(13) 2_667 2_667 ? N1 Pt1 I1 88.91(13) 2_667 . ? N1 Pt1 N2 82.59(17) 2_667 . ? N1 Pt1 N2 82.59(17) . 2_667 ? N1 Pt1 N2 97.41(17) . . ? N1 Pt1 N2 97.41(17) 2_667 2_667 ? N1 Pt1 N1 180.0 . 2_667 ? C2 N2 Pt1 109.3(3) . . ? C1 N1 Pt1 109.6(3) . . ? N2 C2 C1 107.8(4) . 2_667 ? N1 C1 C2 107.6(4) . 2_667 ? _shelx_res_file ; TITL b_120k_a.res in P-1 b_120k.res created by SHELXL-2018/3 at 15:30:00 on 12-Dec-2021 REM Old TITL b_120k_a.res in P1 REM SHELXT solution in P-1: R1 0.064, Rweak 0.011, Alpha 0.090 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: I4 N2 O7 Pt CELL 0.71073 7.0858 7.6608 8.266 68.185 84.185 89.502 ZERR 1 0.0003 0.0003 0.0004 0.004 0.004 0.004 LATT 1 SFAC C H I N O Pt UNIT 4 20 4 4 2 1 L.S. 10 PLAN 6 SIZE 0.2 0.2 0.1 TEMP -153.15 BOND LIST 6 fmap 2 ACTA OMIT 0 10 3 OMIT -1 10 4 OMIT 1 10 2 REM REM REM WGHT 0.051400 1.768700 FVAR 0.60379 PT1 6 0.500000 0.500000 1.000000 10.50000 0.00630 0.00635 = 0.00262 -0.00127 -0.00108 -0.00031 I1 3 0.767099 0.338792 0.854910 11.00000 0.00961 0.01018 = 0.00805 -0.00394 0.00045 0.00101 I2 3 0.193851 1.154976 0.635060 11.00000 0.01423 0.01408 = 0.00671 -0.00352 -0.00206 0.00124 N2 4 0.522066 0.738780 0.773869 11.00000 0.01422 0.00677 = 0.00283 -0.00002 -0.00136 -0.00199 AFIX 23 H2A 2 0.581811 0.712067 0.683424 11.00000 -1.20000 H2B 2 0.404234 0.779541 0.746175 11.00000 -1.20000 AFIX 0 N1 4 0.288240 0.362216 0.935679 11.00000 0.01008 0.00971 = 0.00786 -0.00240 -0.00368 -0.00104 AFIX 23 H1A 2 0.195742 0.443770 0.890602 11.00000 -1.20000 H1B 2 0.336604 0.317449 0.852900 11.00000 -1.20000 AFIX 0 C2 1 0.631957 0.888277 0.801895 11.00000 0.01299 0.00971 = 0.00894 -0.00266 -0.00302 -0.00322 AFIX 23 H2C 2 0.549326 0.949998 0.867335 11.00000 -1.20000 H2D 2 0.681637 0.984923 0.687774 11.00000 -1.20000 AFIX 6 O1 5 0.200485 0.655424 0.616971 11.00000 0.02268 0.02150 = 0.01648 -0.00437 -0.01027 0.00088 H1E 2 0.112909 0.726897 0.569494 11.00000 -1.50000 H1F 2 0.208541 0.574876 0.568579 11.00000 -1.50000 AFIX 0 C1 1 0.206413 0.203499 1.095114 11.00000 0.01195 0.01187 = 0.00842 -0.00142 -0.00059 -0.00420 AFIX 23 H1C 2 0.139141 0.111459 1.061478 11.00000 -1.20000 H1D 2 0.114782 0.250826 1.166648 11.00000 -1.20000 AFIX 0 HKLF 4 REM b_120k_a.res in P-1 REM wR2 = 0.0868, GooF = S = 1.129, Restrained GooF = 1.129 for all data REM R1 = 0.0330 for 2341 Fo > 4sig(Fo) and 0.0341 for all 2354 data REM 73 parameters refined using 0 restraints END WGHT 0.0514 1.7689 REM Highest difference peak 2.776, deepest hole -4.973, 1-sigma level 0.432 Q1 1 0.3891 0.5681 1.0374 11.00000 0.05 2.78 Q2 1 0.6487 0.4064 0.8970 11.00000 0.05 2.70 Q3 1 0.3001 1.0964 0.5950 11.00000 0.05 2.25 Q4 1 0.8490 0.2758 0.8219 11.00000 0.05 2.24 Q5 1 0.4231 0.4311 0.9975 11.00000 0.05 1.98 Q6 1 0.4807 0.4704 1.1296 11.00000 0.05 1.96 ; _shelx_res_checksum 27077 _shelx_hkl_file ; -9 -2 -4 246.59 16.98 -9 -1 -5 124.70 12.25 -9 -1 -4 89.24 10.23 -9 0 -6 415.87 21.02 -9 0 -5 16.87 5.84 -9 0 -4 860.47 29.65 -9 1 -6 10.17 5.10 -9 1 -5 956.12 30.47 -8 -5 -4 -0.02 0.22 -8 -5 -4 38.68 4.08 -8 -5 -3 820.65 18.91 -8 -5 -3 124.23 6.44 -8 -5 -2 2450.22 45.64 -8 -5 -1 144.00 10.98 -8 -5 0 267.63 16.74 -8 -5 1 52.26 8.54 -8 -4 -5 137.50 13.34 -8 -4 -4 1014.15 35.20 -8 -4 -3 2917.90 63.35 -8 -4 -2 43.59 3.88 -8 -4 -1 178.96 9.47 -8 -4 0 60.17 6.67 -8 -4 1 150.19 11.02 -8 -4 2 1382.09 37.24 -8 -3 -6 180.06 15.21 -8 -3 -5 934.81 33.82 -8 -3 -4 3047.35 64.84 -8 -3 -3 91.20 10.47 -8 -3 0 50.08 4.46 -8 -3 1 1365.74 29.69 -8 -3 2 1362.56 32.98 -8 -3 3 455.82 19.67 -8 -3 4 1159.67 34.49 -8 -2 -7 323.22 20.12 -8 -2 -6 639.18 27.61 -8 -2 -5 2962.80 63.94 -8 -2 -4 43.08 7.51 -8 -2 -3 98.90 10.57 -8 -2 1 2375.79 36.19 -8 -2 2 546.49 17.05 -8 -2 3 1162.85 29.88 -8 -2 4 69.74 8.03 -8 -1 -7 899.93 32.62 -8 -1 -6 2937.70 62.89 -8 -1 -5 54.21 8.11 -8 -1 -4 27.55 6.05 -8 -1 -3 252.53 15.80 -8 -1 2 1359.75 25.75 -8 -1 3 12.89 3.47 -8 -1 4 107.09 8.96 -8 -1 5 571.16 22.40 -8 0 -7 2281.61 52.14 -8 0 -6 74.73 9.33 -8 0 -5 24.84 5.98 -8 0 -4 458.98 20.82 -8 0 -3 67.97 8.17 -8 0 4 1108.95 27.24 -8 0 5 334.90 15.90 -8 1 -7 35.60 6.78 -8 1 -6 26.66 5.93 -8 1 -5 317.44 16.58 -8 1 -4 10.07 4.31 -8 2 -6 481.51 19.39 -8 2 -5 13.55 4.55 -8 2 -4 1174.03 30.61 -7 -8 -4 863.03 31.02 -7 -8 -3 1938.92 48.94 -7 -8 -2 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3295.18 60.88 0 4 10 3083.27 74.82 0 4 11 17.71 5.23 0 5 -7 1078.73 31.62 0 5 -6 390.60 24.07 0 5 -6 529.34 20.53 0 5 -5 3279.01 76.49 0 5 -5 4243.61 66.58 0 5 -4 721.36 21.85 0 5 -4 747.27 22.01 0 5 -3 211.01 10.59 0 5 -3 196.84 14.44 0 5 -2 401.39 12.47 0 5 -2 379.66 11.94 0 5 -1 254.75 8.11 0 5 -1 232.28 8.52 0 5 0 1360.95 23.67 0 5 2 840.34 20.66 0 5 3 1829.72 36.47 0 5 4 420.11 17.65 0 5 5 722.05 26.05 0 5 6 1737.63 45.35 0 5 6 1635.75 25.23 0 5 7 1121.12 38.16 0 5 7 960.87 20.58 0 5 8 1032.29 37.71 0 5 8 848.90 21.34 0 5 9 4238.02 85.14 0 5 9 3485.16 57.95 0 5 10 51.92 9.98 0 5 10 49.35 6.16 0 6 -6 1976.47 44.12 0 6 -6 2077.67 42.75 0 6 -5 363.99 16.00 0 6 -5 375.33 15.70 0 6 -4 266.08 12.38 0 6 -4 259.33 12.36 0 6 -3 707.66 19.48 0 6 -3 698.82 18.69 0 6 -2 13.89 2.82 0 6 -2 15.20 2.79 0 6 -2 13.44 4.54 0 6 -1 787.94 18.00 0 6 -1 812.71 27.07 0 6 0 6311.19 93.42 0 6 0 6269.10 79.25 0 6 1 585.61 15.34 0 6 2 1796.75 34.00 0 6 3 324.35 13.92 0 6 4 1553.42 36.50 0 6 5 1622.82 40.69 0 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2021.65 45.66 0 9 6 50.63 7.61 0 9 7 142.50 13.26 0 9 8 464.84 24.29 0 9 9 75.91 10.85 0 10 3 0.04 0.33 0 10 4 1281.70 30.00 0 10 5 26.39 5.40 0 10 6 146.80 11.91 0 10 7 413.55 20.78 0 10 8 74.28 10.00 0 10 9 1069.16 38.09 1 -10 -9 113.17 12.68 1 -10 -8 2234.55 53.24 1 -10 -7 728.55 25.51 1 -10 -6 75.12 6.96 1 -10 -5 344.81 11.84 1 -9 -9 2417.91 64.60 1 -9 -8 747.71 31.87 1 -9 -7 43.11 7.10 1 -9 -6 394.50 17.55 1 -9 -6 413.59 20.71 1 -9 -6 398.77 20.38 1 -9 -5 231.67 11.32 1 -9 -5 254.61 15.90 1 -9 -4 181.91 13.31 1 -9 -4 174.88 7.70 1 -9 -3 2707.60 57.91 1 -9 -2 810.57 28.74 1 -9 -1 2422.76 54.94 1 -9 0 538.96 24.70 1 -8 -9 1021.92 40.86 1 -8 -8 11.04 5.73 1 -8 -7 329.18 19.74 1 -8 -6 304.45 17.03 1 -8 -5 192.23 13.25 1 -8 -5 184.81 11.04 1 -8 -4 4547.04 64.23 1 -8 -4 4329.29 75.26 1 -8 -3 742.16 15.53 1 -8 -3 718.45 24.72 1 -8 -2 2467.31 51.87 1 -8 -1 859.32 28.34 1 -8 0 387.31 18.76 1 -8 1 596.89 24.98 1 -8 2 193.21 13.03 1 -8 2 170.63 13.63 1 -8 3 247.03 16.22 1 -8 4 2290.84 56.17 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483.41 29.06 1 4 -7 513.26 22.45 1 4 -6 701.27 25.96 1 4 -5 701.77 24.23 1 4 -4 1644.05 35.71 1 4 -3 752.61 20.33 1 4 -3 748.64 21.69 1 4 -2 8594.94 108.99 1 4 -1 344.85 11.60 1 4 -1 354.02 14.00 1 4 0 188.41 8.07 1 4 0 179.20 8.16 1 4 1 1155.56 19.80 1 4 1 994.04 21.53 1 4 2 918.03 20.99 1 4 2 873.34 21.27 1 4 3 3458.67 54.75 1 4 5 664.56 23.94 1 4 6 2911.25 49.71 1 4 6 3069.74 62.36 1 4 7 20.17 6.13 1 4 7 30.47 4.88 1 4 8 547.79 27.50 1 4 8 523.89 19.93 1 4 9 1535.79 38.27 1 4 10 267.15 15.98 1 4 11 831.10 29.43 1 4 12 1769.51 45.58 1 5 -7 432.48 21.71 1 5 -7 434.71 20.04 1 5 -6 313.30 16.58 1 5 -6 276.82 20.99 1 5 -6 307.69 17.58 1 5 -5 1208.94 32.45 1 5 -5 1302.94 35.48 1 5 -4 906.41 25.63 1 5 -4 989.22 28.29 1 5 -3 5442.12 77.12 1 5 -3 5691.02 81.45 1 5 -2 325.32 13.14 1 5 -2 321.45 11.89 1 5 -1 186.69 9.01 1 5 0 956.43 23.70 1 5 0 982.71 22.28 1 5 1 18.76 3.31 1 5 1 19.70 2.89 1 5 2 2626.79 35.16 1 5 2 2497.07 43.63 1 5 3 5675.54 80.81 1 5 4 541.20 20.69 1 5 5 2075.87 46.08 1 5 6 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3955.81 60.55 1 7 2 278.55 12.79 1 7 2 304.80 15.33 1 7 3 733.58 23.08 1 7 4 131.45 10.46 1 7 5 587.48 23.23 1 7 6 1294.77 38.09 1 7 7 1316.23 41.01 1 7 8 940.94 37.10 1 7 9 2578.44 66.87 1 7 10 56.17 10.20 1 8 -3 390.01 14.22 1 8 -3 207.73 11.29 1 8 -2 39.49 4.66 1 8 -2 51.60 5.71 1 8 -1 722.59 18.30 1 8 -1 831.90 22.50 1 8 0 3855.12 59.94 1 8 0 3909.36 54.40 1 8 1 132.65 8.86 1 8 2 251.21 12.41 1 8 3 88.53 8.25 1 8 4 573.73 22.00 1 8 5 1597.65 40.70 1 8 6 1556.92 43.06 1 8 7 871.00 33.14 1 8 8 2792.97 68.22 1 8 9 8.42 6.21 1 9 -1 1808.42 24.75 1 9 -1 -0.04 0.47 1 9 0 149.68 7.36 1 9 0 152.61 8.60 1 9 1 152.28 9.06 1 9 2 109.78 8.47 1 9 3 272.02 14.09 1 9 4 1086.06 30.47 1 9 5 1637.03 41.74 1 9 6 587.98 25.26 1 9 7 1805.36 50.15 1 9 8 13.11 6.19 1 9 9 18.02 6.89 1 10 2 0.10 0.43 1 10 3 951.63 25.91 1 10 4 1363.59 34.38 1 10 5 513.14 21.69 1 10 6 1707.38 45.05 1 10 7 14.81 6.11 1 10 8 134.74 13.72 2 -9 -9 226.88 19.09 2 -9 -8 198.07 16.08 2 -9 -7 2748.17 62.80 2 -9 -7 2809.04 60.79 2 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47.88 6.72 3 6 5 3077.97 60.44 3 6 6 3681.05 71.96 3 6 7 155.85 13.52 3 6 8 1152.97 39.43 3 6 9 14.68 6.03 3 6 10 53.73 10.02 3 6 10 57.13 7.62 3 6 11 1559.05 39.63 3 7 -4 746.59 25.00 3 7 -4 767.55 28.86 3 7 -3 1016.84 27.81 3 7 -3 1098.92 34.15 3 7 -2 690.85 21.47 3 7 -2 712.87 26.26 3 7 -1 2764.99 54.59 3 7 -1 2866.48 57.34 3 7 0 20.63 5.32 3 7 0 10.67 3.85 3 7 0 14.29 4.77 3 7 1 100.92 9.21 3 7 1 97.23 9.25 3 7 1 109.10 8.13 3 7 2 598.41 17.55 3 7 2 584.68 21.51 3 7 2 565.27 22.39 3 7 3 38.49 4.22 3 7 3 37.40 6.34 3 7 4 2325.72 51.76 3 7 4 2363.29 36.46 3 7 5 3074.49 61.83 3 7 6 96.21 10.71 3 7 7 616.96 27.46 3 7 8 7.72 5.09 3 7 9 79.92 7.52 3 7 9 72.28 10.79 3 7 10 1605.91 35.66 3 8 -3 271.15 14.06 3 8 -3 342.13 19.26 3 8 -2 1315.39 31.65 3 8 -2 1563.59 41.46 3 8 -1 10.92 3.83 3 8 -1 14.65 5.39 3 8 -1 9.50 4.56 3 8 0 107.16 11.06 3 8 0 111.30 10.25 3 8 1 725.20 23.40 3 8 1 758.30 27.45 3 8 1 772.14 28.64 3 8 2 83.78 7.03 3 8 2 92.21 9.68 3 8 2 91.05 9.42 3 8 3 2289.15 39.22 3 8 3 2341.61 53.08 3 8 4 3424.87 48.74 3 8 4 3200.40 64.95 3 8 5 37.25 3.41 3 8 5 32.68 6.77 3 8 6 410.64 10.17 3 8 6 424.12 23.13 3 8 7 5.92 4.76 3 8 8 63.39 4.84 3 8 8 62.46 9.98 3 8 9 1600.84 50.33 3 9 -1 74.42 9.05 3 9 -1 68.53 6.78 3 9 0 531.60 23.01 3 9 1 176.38 14.59 3 9 1 173.11 13.13 3 9 2 1340.37 38.84 3 9 2 1303.69 37.99 3 9 3 2065.28 48.94 3 9 4 58.64 8.33 3 9 5 324.42 19.60 3 9 6 33.12 7.56 3 9 7 67.88 10.20 3 9 8 1315.01 44.56 3 10 2 1895.42 45.65 3 10 3 15.64 5.14 3 10 4 73.51 9.66 3 10 5 15.80 6.33 3 10 6 27.39 6.92 3 10 7 1510.00 46.30 4 -9 -7 269.51 16.29 4 -9 -6 273.58 13.69 4 -9 -5 288.51 18.01 4 -9 -5 298.55 16.48 4 -9 -4 813.97 27.42 4 -9 -3 2840.88 57.53 4 -9 -2 63.60 3.63 4 -9 -2 122.58 10.77 4 -9 -1 63.45 6.04 4 -9 -1 58.52 8.10 4 -9 0 102.00 9.03 4 -9 0 127.18 11.71 4 -8 -9 215.87 19.64 4 -8 -8 324.82 22.60 4 -8 -7 324.11 20.00 4 -8 -7 321.65 18.17 4 -8 -7 299.12 19.49 4 -8 -6 261.32 15.75 4 -8 -6 296.38 18.19 4 -8 -6 280.12 16.81 4 -8 -5 540.13 24.01 4 -8 -5 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1620.87 46.44 4 4 -5 1608.79 51.59 4 4 -4 4311.04 71.66 4 4 -4 4339.79 75.25 4 4 -4 4361.15 80.21 4 4 -4 4162.55 84.51 4 4 -3 168.28 13.40 4 4 -3 183.65 12.19 4 4 -3 184.11 11.62 4 4 -3 193.85 13.64 4 4 -2 1136.75 33.32 4 4 -2 1240.59 30.92 4 4 -2 1188.23 33.25 4 4 -1 17.38 3.87 4 4 -1 18.55 4.00 4 4 -1 17.02 4.31 4 4 0 786.64 23.94 4 4 0 713.05 20.31 4 4 1 3137.74 49.49 4 4 1 3452.41 59.63 4 4 2 818.81 24.45 4 4 2 772.96 18.56 4 4 3 2333.63 47.55 4 4 4 5591.44 86.67 4 4 8 38.12 7.45 4 4 9 3269.11 72.97 4 4 10 1562.42 49.93 4 4 11 213.38 17.03 4 5 -5 2202.30 62.90 4 5 -5 2316.66 50.18 4 5 -5 2345.02 55.89 4 5 -5 2365.05 58.32 4 5 -4 243.94 18.86 4 5 -4 270.16 15.02 4 5 -4 265.24 16.80 4 5 -4 265.81 17.58 4 5 -3 956.98 34.70 4 5 -3 997.37 30.50 4 5 -3 1048.52 29.00 4 5 -3 1045.37 33.39 4 5 -2 19.84 5.24 4 5 -2 16.00 4.85 4 5 -1 629.60 20.94 4 5 -1 620.74 22.89 4 5 0 1837.73 36.47 4 5 0 1845.25 41.31 4 5 1 1331.02 30.20 4 5 1 1454.78 36.00 4 5 2 2047.28 37.91 4 5 2 2119.02 45.03 4 5 3 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1 90.59 9.12 5 4 2 463.21 19.32 5 4 2 428.39 13.14 5 4 3 2955.11 57.76 5 4 7 130.86 12.31 5 4 8 205.09 15.69 5 4 9 177.29 15.46 5 5 -4 1369.30 44.76 5 5 -4 1353.17 36.61 5 5 -4 1417.60 39.91 5 5 -4 1441.87 43.98 5 5 -3 2724.30 56.24 5 5 -3 2717.23 53.71 5 5 -3 2717.69 60.83 5 5 -2 217.54 13.74 5 5 -2 229.86 15.08 5 5 -1 840.97 25.77 5 5 -1 798.96 28.15 5 5 0 37.76 5.54 5 5 0 34.56 6.48 5 5 0 25.39 4.58 5 5 1 128.34 11.01 5 5 1 126.66 8.30 5 5 2 2810.88 46.44 5 5 2 2903.55 57.36 5 5 3 1320.13 37.20 5 5 4 1969.51 47.30 5 5 5 2846.13 60.86 5 5 6 122.60 11.53 5 6 -4 1769.74 49.97 5 6 -3 31.82 6.72 5 6 -3 35.95 6.46 5 6 -3 52.09 8.60 5 6 -3 36.58 7.64 5 6 -2 448.27 20.62 5 6 -2 467.52 23.00 5 6 -2 425.79 21.20 5 6 -1 11.95 4.45 5 6 -1 13.65 4.42 5 6 -1 14.23 5.48 5 6 0 138.44 10.62 5 6 0 150.12 10.66 5 6 0 165.79 13.79 5 6 1 2955.03 51.86 5 6 1 2924.89 60.41 5 6 2 1411.59 38.87 5 6 2 1308.07 30.81 5 6 3 1796.08 46.20 5 6 4 2754.61 58.93 5 6 5 209.20 15.28 5 6 6 38.83 7.40 5 6 7 344.52 20.76 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548.05 19.60 7 -2 5 43.94 6.38 7 -2 6 19.40 5.37 7 -2 6 19.27 3.68 7 -2 7 2506.28 55.04 7 -1 -7 1601.26 52.80 7 -1 -6 507.97 26.25 7 -1 -6 542.53 22.91 7 -1 -6 567.95 27.18 7 -1 -5 1722.78 47.98 7 -1 -5 1746.92 49.68 7 -1 -5 1863.29 42.71 7 -1 -5 1898.52 49.33 7 -1 -4 60.04 8.36 7 -1 -4 62.62 8.57 7 -1 -4 58.90 8.32 7 -1 -3 60.06 8.18 7 -1 -3 84.77 7.94 7 -1 -3 60.44 7.81 7 -1 -2 1179.83 25.01 7 -1 -2 1184.14 31.91 7 -1 -1 241.72 4.58 7 -1 -1 205.22 4.62 7 -1 0 3308.67 56.73 7 -1 1 2919.63 52.34 7 -1 2 32.26 5.00 7 -1 3 332.98 15.34 7 -1 4 19.36 4.63 7 -1 5 33.63 6.05 7 -1 6 2294.24 49.81 7 -1 7 879.17 29.79 7 -1 8 960.67 32.89 7 0 -7 379.89 25.03 7 0 -6 1203.80 42.71 7 0 -5 42.38 7.71 7 0 -5 49.28 7.21 7 0 -5 56.45 8.83 7 0 -5 52.73 8.59 7 0 -4 122.07 11.76 7 0 -4 135.93 10.66 7 0 -4 141.80 12.71 7 0 -4 140.78 11.95 7 0 -3 1308.07 37.26 7 0 -3 1302.90 32.62 7 0 -2 206.72 13.22 7 0 -2 200.59 9.29 7 0 -1 2714.14 34.89 7 0 -1 2876.86 52.82 7 0 0 3987.07 66.40 7 0 1 61.47 7.02 7 0 2 324.23 15.46 7 0 3 18.03 4.60 7 0 4 38.59 6.31 7 0 5 3916.38 68.44 7 0 6 943.68 30.57 7 0 7 549.61 23.45 7 0 8 1010.38 34.17 7 1 -6 30.15 7.89 7 1 -5 121.26 11.03 7 1 -5 114.21 12.08 7 1 -4 1151.35 32.95 7 1 -4 1171.80 37.72 7 1 -4 1056.67 32.34 7 1 -3 398.64 19.77 7 1 -3 467.64 21.96 7 1 -3 441.96 18.20 7 1 -2 2333.63 50.39 7 1 -2 2206.57 38.85 7 1 -1 2046.86 31.14 7 1 -1 2385.25 47.61 7 1 0 129.19 10.21 7 1 1 236.02 13.95 7 1 2 86.68 8.52 7 1 3 52.21 7.08 7 1 4 3441.52 62.73 7 1 5 1630.59 40.42 7 1 6 761.55 27.25 7 1 7 1189.58 36.87 7 1 8 204.50 15.21 7 2 -6 60.04 9.99 7 2 -5 1035.84 36.78 7 2 -4 346.58 18.74 7 2 -3 1596.98 37.62 7 2 -2 2892.93 49.62 7 2 -1 95.77 9.56 7 2 -1 79.90 5.48 7 2 0 87.61 4.33 7 2 0 76.82 8.39 7 2 1 66.05 8.09 7 2 2 25.82 5.52 7 2 3 4944.74 82.68 7 2 4 1893.12 45.05 7 2 5 409.35 20.12 7 2 6 1240.15 36.18 7 2 7 186.07 14.43 7 2 8 105.65 11.27 7 3 -5 444.22 23.68 7 3 -4 1194.91 37.03 7 3 -3 1750.06 41.81 7 3 -3 1737.11 44.66 7 3 -3 1757.30 42.86 7 3 -3 1600.00 46.36 7 3 -2 71.29 8.02 7 3 -2 71.67 8.97 7 3 -1 105.35 7.19 7 3 0 333.87 11.09 7 3 2 3904.90 70.70 7 3 3 1924.37 45.54 7 3 4 299.21 17.20 7 3 5 918.90 31.64 7 3 6 227.37 15.34 7 3 7 16.36 5.71 7 3 8 1304.72 41.00 7 4 -4 1395.57 41.87 7 4 -3 58.81 7.73 7 4 -2 18.41 5.25 7 4 -2 21.01 6.20 7 4 -1 275.28 17.63 7 4 -1 262.24 12.51 7 4 0 31.71 4.33 7 4 0 48.73 7.97 7 4 1 3811.60 73.30 7 4 1 3785.79 53.61 7 4 5 243.39 16.26 7 4 6 9.85 4.96 7 4 7 1466.34 42.45 7 5 -3 23.40 5.85 7 5 -2 306.21 16.27 7 5 -1 79.32 7.73 7 5 -1 82.90 9.25 7 5 -1 79.85 10.58 7 5 0 2343.32 43.97 7 5 0 2743.78 62.78 7 5 1 1678.91 45.75 7 5 1 1468.62 30.84 7 5 2 63.28 9.20 7 5 3 511.32 24.32 7 5 4 102.82 11.21 7 6 -2 104.57 10.24 7 6 -1 1942.52 44.66 7 6 0 1466.09 38.89 7 6 0 1475.84 45.48 7 6 1 31.15 5.00 7 6 1 21.66 6.61 7 6 2 489.72 24.51 7 6 3 117.33 12.64 7 6 4 92.87 11.23 7 6 5 1842.80 50.84 7 7 0 26.41 5.83 7 7 1 196.11 13.78 7 7 1 167.58 11.52 7 7 2 36.51 6.56 7 8 3 1764.32 42.52 8 -5 -6 65.00 7.75 8 -5 -5 467.16 28.15 8 -5 -5 445.87 18.22 8 -5 -5 415.53 15.58 8 -5 -5 473.62 26.57 8 -5 -4 19.21 6.46 8 -5 -4 16.28 6.71 8 -5 -4 16.83 4.27 8 -5 -4 14.69 3.37 8 -5 -3 83.53 10.86 8 -5 -3 67.80 5.53 8 -5 -3 56.30 6.10 8 -5 -3 65.07 8.96 8 -5 -2 1221.23 37.95 8 -5 -2 1253.79 28.87 8 -5 -2 1318.23 34.51 8 -5 -2 1247.60 24.31 8 -5 -1 692.58 25.88 8 -5 -1 695.51 16.49 8 -5 -1 671.68 20.47 8 -5 0 1164.52 31.04 8 -5 0 1164.57 22.05 8 -5 0 1233.43 25.13 8 -5 1 1026.97 26.37 8 -5 1 1438.14 25.05 8 -4 -6 228.01 14.26 8 -4 -6 212.02 11.94 8 -4 -5 32.96 7.51 8 -4 -5 23.08 4.28 8 -4 -5 27.17 7.96 8 -4 -5 26.88 5.49 8 -4 -5 21.59 5.62 8 -4 -4 99.72 10.76 8 -4 -4 96.35 12.15 8 -4 -4 95.87 6.61 8 -4 -4 95.83 9.23 8 -4 -3 1765.36 38.76 8 -4 -3 1738.93 30.61 8 -4 -3 1824.61 43.77 8 -4 -2 812.87 16.78 8 -4 -2 876.43 30.92 8 -4 -2 817.45 23.44 8 -4 -1 975.14 29.98 8 -4 -1 693.16 13.19 8 -4 -1 993.36 24.70 8 -4 -1 657.00 15.65 8 -4 0 1566.40 38.84 8 -4 0 1729.98 33.80 8 -4 1 87.74 8.11 8 -4 1 110.10 7.68 8 -4 2 71.05 6.22 8 -4 3 319.96 13.09 8 -3 -6 36.01 7.76 8 -3 -5 40.23 7.51 8 -3 -5 36.95 8.95 8 -3 -5 36.42 6.34 8 -3 -5 42.38 7.39 8 -3 -4 1891.35 51.43 8 -3 -4 1866.11 44.63 8 -3 -4 1796.36 32.91 8 -3 -3 1147.49 37.60 8 -3 -3 1095.72 21.40 8 -3 -3 1101.95 30.59 8 -3 -2 880.94 19.47 8 -3 -2 1133.77 34.95 8 -3 -2 904.01 15.90 8 -3 -2 1055.07 27.79 8 -3 -1 1459.91 39.38 8 -3 -1 1630.97 35.77 8 -3 0 226.97 12.08 8 -3 1 9.22 3.70 8 -3 2 379.63 15.31 8 -3 3 91.99 7.85 8 -3 4 2370.66 46.07 8 -3 5 1210.07 31.19 8 -2 -6 45.50 8.80 8 -2 -5 1945.34 53.83 8 -2 -5 1757.66 47.35 8 -2 -5 1924.74 44.38 8 -2 -5 1896.89 48.86 8 -2 -4 1339.52 41.77 8 -2 -4 1315.96 35.82 8 -2 -4 1351.16 38.75 8 -2 -3 803.21 30.88 8 -2 -3 734.03 21.08 8 -2 -3 782.43 26.59 8 -2 -3 733.51 16.70 8 -2 -2 1732.73 43.67 8 -2 -2 1879.71 39.56 8 -2 -2 1367.97 23.42 8 -2 -2 1528.59 21.43 8 -2 -1 234.13 13.12 8 -2 0 25.74 4.83 8 -2 1 671.12 22.05 8 -2 2 71.18 7.40 8 -2 3 2917.82 54.20 8 -2 4 1185.62 30.52 8 -2 5 18.14 4.97 8 -2 6 509.98 20.97 8 -1 -6 1474.89 45.24 8 -1 -5 1124.92 35.73 8 -1 -4 482.70 24.01 8 -1 -4 525.08 20.96 8 -1 -3 1201.04 35.09 8 -1 -3 1123.81 26.72 8 -1 -2 214.56 6.28 8 -1 -2 218.06 15.08 8 -1 -2 216.98 13.69 8 -1 -2 186.19 6.57 8 -1 -1 28.23 5.71 8 -1 0 1004.46 29.63 8 -1 1 217.61 13.00 8 -1 2 2863.39 54.58 8 -1 3 1844.48 41.42 8 -1 4 10.15 4.48 8 -1 5 315.94 16.39 8 -1 6 26.45 5.99 8 -1 7 36.27 7.01 8 0 -6 1109.95 39.10 8 0 -5 362.14 19.61 8 0 -4 1075.26 36.71 8 0 -4 1160.85 33.71 8 0 -4 1163.49 37.86 8 0 -4 1024.17 29.37 8 0 -3 186.72 14.47 8 0 -3 201.60 14.65 8 0 -3 196.97 10.41 8 0 -2 99.98 5.42 8 0 -2 105.52 10.13 8 0 -1 998.41 30.43 8 0 0 299.93 16.36 8 0 1 3314.14 61.50 8 0 2 2072.64 45.13 8 0 3 70.71 8.07 8 0 4 519.47 21.73 8 0 5 26.32 5.82 8 0 6 75.99 9.25 8 0 7 2269.86 51.90 8 1 -5 574.05 24.94 8 1 -4 99.61 9.27 8 1 -3 64.13 8.69 8 1 -3 55.23 8.46 8 1 -2 1218.24 23.92 8 1 -2 1269.17 36.70 8 1 -1 326.15 7.13 8 1 -1 363.51 18.62 8 1 0 2428.24 53.09 8 1 1 2007.99 46.49 8 1 2 24.25 5.65 8 1 3 274.67 16.04 8 1 4 17.43 5.18 8 1 5 51.48 7.68 8 1 6 2731.64 56.98 8 1 7 891.46 31.86 8 2 -5 55.71 8.18 8 2 -4 60.71 7.79 8 2 -3 1123.89 29.33 8 2 -2 509.50 15.90 8 2 -2 591.81 25.30 8 2 -1 2113.07 32.44 8 2 -1 2611.45 55.87 8 2 0 2329.41 53.97 8 2 1 156.29 12.66 8 2 2 237.00 15.05 8 2 3 101.83 10.53 8 2 4 48.91 7.66 8 2 5 3163.56 64.99 8 2 6 575.95 24.45 8 2 7 275.56 17.79 8 3 -4 1053.42 32.91 8 3 -3 388.01 16.94 8 3 -2 1250.81 28.68 8 3 -1 1279.80 25.42 8 3 0 58.84 4.14 8 3 1 166.23 13.65 8 3 2 133.39 12.01 8 3 3 108.07 11.18 8 3 4 3055.44 63.99 8 3 5 962.62 33.40 8 3 6 169.36 13.65 8 4 -3 978.37 29.45 8 4 -2 1161.68 29.82 8 4 -1 134.81 8.69 8 4 0 53.02 4.95 8 4 0 87.63 11.25 8 4 3 3215.96 67.88 8 4 4 1027.67 34.82 8 4 5 134.89 12.88 8 5 -1 37.24 5.49 8 5 0 238.55 11.49 8 6 1 1942.67 38.00 9 -4 -4 338.12 22.58 9 -4 -4 278.74 15.48 9 -4 -3 16.02 6.05 9 -4 -3 17.80 4.86 9 -4 -2 15.14 5.87 9 -4 -2 27.33 5.46 9 -4 -1 1326.01 38.86 9 -4 -1 1389.21 32.65 9 -4 0 418.35 20.01 9 -4 0 461.82 17.37 9 -3 -3 11.45 5.56 9 -3 -3 22.54 5.36 9 -3 -2 1688.81 46.25 9 -3 -2 1824.17 41.22 9 -3 -1 662.60 26.56 9 -3 -1 750.94 24.50 9 -3 0 749.81 27.48 9 -3 0 835.81 25.06 9 -3 1 868.76 25.99 9 -3 2 189.99 11.59 9 -3 3 61.23 6.76 9 -2 -3 1748.48 48.63 9 -2 -3 1755.27 42.82 9 -2 -2 830.71 31.23 9 -2 -2 866.48 28.44 9 -2 -1 662.53 26.98 9 -2 -1 698.40 25.14 9 -2 0 1034.13 30.01 9 -2 1 239.44 13.33 9 -2 2 57.72 7.05 9 -2 3 669.54 23.61 9 -2 4 120.71 9.81 9 -1 -2 468.24 23.40 9 -1 -2 493.81 21.93 9 -1 -1 921.86 30.08 9 -1 0 205.37 13.59 9 -1 1 29.45 5.86 9 -1 2 679.11 24.92 9 -1 3 344.58 17.01 9 -1 4 2575.33 52.95 9 -1 5 973.33 29.89 9 -1 6 14.31 5.39 9 0 -2 735.29 29.67 9 0 -2 772.20 28.96 9 0 -1 280.92 16.74 9 0 0 24.83 6.06 9 0 1 1255.46 35.82 9 0 2 262.77 15.41 9 0 3 2274.57 50.55 9 0 4 926.40 30.64 9 0 5 13.17 4.97 9 0 6 385.67 19.75 9 1 -1 43.12 7.60 9 1 0 1257.47 38.74 9 1 1 445.06 21.29 9 1 2 2411.38 53.37 9 1 3 1069.04 33.91 9 1 4 83.01 9.36 9 1 5 125.39 11.61 9 2 1 2002.81 50.19 9 2 2 1109.90 35.33 9 2 3 118.34 11.84 9 2 4 252.80 16.81 10 -3 -1 14.03 5.46 10 -3 -1 18.58 5.28 10 -2 0 438.04 22.13 10 -2 0 491.43 20.88 10 -2 1 635.76 24.24 10 -2 2 660.07 24.40 10 -1 2 229.82 15.04 10 -1 3 65.92 8.27 0 0 0 0.00 0.00 TITL b_120K in P1 REM P1 (#1 in standard setting) CELL 0.71073 7.085809 7.660840 8.265980 68.1849 84.1846 89.5017 ZERR 2.00 0.000337 0.000341 0.000369 0.0042 0.0038 0.0037 LATT -1 SFAC C H N O I Pt UNIT 8.00 32.00 8.00 2.00 6.00 2.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 58777 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 2.242 _oxdiff_exptl_absorpt_empirical_full_min 0.593