#------------------------------------------------------------------------------ #$Date: 2024-10-12 01:11:07 +0300 (Sat, 12 Oct 2024) $ #$Revision: 295436 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/28/1572858.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1572858 loop_ _publ_author_name 'Wang, Wei' 'Liu, Cheng-Dong' 'Fan, Chang-Chun' 'Zhang, Wen' _publ_section_title ; A Three-Dimensional Lead Iodide Perovskite Analog Featuring Hydrogen-bonded Dual Monovalent Cations ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D4SC05585C _journal_year 2024 _chemical_formula_moiety 'I6 Pb2, C4 H10 N O, H4 N' _chemical_formula_sum 'C4 H14 I6 N2 O Pb2' _chemical_formula_weight 1281.95 _space_group_crystal_system monoclinic _space_group_IT_number 11 _space_group_name_Hall '-P 2yb' _space_group_name_H-M_alt 'P 1 21/m 1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary iterative _audit_creation_date 2024-09-28 _audit_creation_method ; Olex2 1.5 (compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928) ; _audit_update_record ; 2024-09-28 deposited with the CCDC. 2024-10-11 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 93.579(4) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.3366(3) _cell_length_b 16.1613(7) _cell_length_c 10.1821(4) _cell_measurement_reflns_used 5055 _cell_measurement_temperature 152.98(10) _cell_measurement_theta_max 30.8560 _cell_measurement_theta_min 2.0120 _cell_volume 1040.69(8) _computing_cell_refinement 'CrysAlisPro 1.171.42.92a (Rigaku OD, 2023)' _computing_data_collection 'CrysAlisPro 1.171.42.92a (Rigaku OD, 2023)' _computing_data_reduction 'CrysAlisPro 1.171.42.92a (Rigaku OD, 2023)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'olex2.solve 1.5 (Bourhis et al., 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 152.98(10) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_detector_type HyPix _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.802 _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 -65.00 -15.00 0.50 1.20 -- 4.75 -37.00 -30.00 100 2 \w -10.00 15.00 0.50 1.20 -- -5.92 -99.00 -30.00 50 3 \w -8.00 70.00 0.50 1.20 -- 4.75 37.00 150.00 156 4 \w -28.00 14.00 0.50 1.20 -- -5.92 77.00 30.00 84 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy R, HyPix' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0633113000 _diffrn_orient_matrix_UB_12 0.0026195000 _diffrn_orient_matrix_UB_13 0.0597764000 _diffrn_orient_matrix_UB_21 -0.0094135000 _diffrn_orient_matrix_UB_22 0.0437444000 _diffrn_orient_matrix_UB_23 -0.0013622000 _diffrn_orient_matrix_UB_31 -0.0921103000 _diffrn_orient_matrix_UB_32 -0.0026676000 _diffrn_orient_matrix_UB_33 0.0359468000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0333 _diffrn_reflns_av_unetI/netI 0.0356 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.802 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 7163 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.802 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 30.928 _diffrn_reflns_theta_min 2.004 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'Mova (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 25.042 _exptl_absorpt_correction_T_max 0.255 _exptl_absorpt_correction_T_min 0.043 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.42.92a (Rigaku Oxford Diffraction, 2023) Numerical absorption correction based on gaussian integration over a multifaceted crystal model ; _exptl_crystal_colour red _exptl_crystal_colour_primary red _exptl_crystal_density_diffrn 4.091 _exptl_crystal_description block _exptl_crystal_F_000 1084 _exptl_crystal_size_max 0.39 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.06 _refine_diff_density_max 2.239 _refine_diff_density_min -2.360 _refine_diff_density_rms 0.397 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.987 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 86 _refine_ls_number_reflns 2731 _refine_ls_number_restraints 18 _refine_ls_restrained_S_all 0.984 _refine_ls_R_factor_all 0.0381 _refine_ls_R_factor_gt 0.0347 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0660P)^2^+6.5136P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0987 _refine_ls_wR_factor_ref 0.1003 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2478 _reflns_number_total 2731 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc05585c2.cif _cod_data_source_block sc_11_153k_autoabs _cod_database_code 1572858 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula 'C8 H16 I12 N2 O4 Pb4 ' _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. ; _shelx_estimated_absorpt_t_max 0.315 _shelx_estimated_absorpt_t_min 0.037 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H,H) groups, All N(H,H) groups 2. Restrained distances N1-H1D = N1-H1C 0.893 with sigma of 0.002 H1E-N1 0.893 with sigma of 0.002 H1E-H1C \\sim H1E-H1C_$1 \\sim H1C-H1C_$1 \\sim H1D-H1C \\sim H1E-H1D \\sim H1D-H1C_$1 with sigma of 0.02 3.a Secondary CH2 refined with riding coordinates: N2(H2A,H2B), C1(H1A,H1B), C2(H2C,H2D) ; _shelx_res_file ; TITL sc_11_153k_autoabs_a.res in P2(1)/m sc_11_153k_autoabs.res created by SHELXL-2018/3 at 10:15:32 on 28-Sep-2024 REM Old TITL SC_11_153K_auto abs in P2/m REM SHELXT solution in P2(1)/m: R1 0.086, Rweak 0.007, Alpha 0.027 REM 4.568 for 9 systematic absences, Orientation as input REM Formula found by SHELXT: O3 I6 Pb2 CELL 0.71073 6.3366 16.1613 10.1821 90 93.579 90 ZERR 2 0.0003 0.0007 0.0004 0 0.004 0 LATT 1 SYMM -X,0.5+Y,-Z SFAC C H I N O Pb UNIT 8 28 12 4 2 4 EQIV $1 +X,1.5-Y,+Z DFIX 0.893 0.002 N1 H1d N1 H1c DFIX 0.893 0.002 H1e N1 SADI H1e H1c H1e H1c_$1 H1c H1c_$1 H1d H1c H1e H1d H1d H1c_$1 L.S. 4 0 0 PLAN 60 SIZE 0.06 0.12 0.39 TEMP -120 CONF BOND LIST 6 MORE -1 BOND $H fmap 2 53 acta OMIT -5 2 4 REM REM REM WGHT 0.066000 6.513600 FVAR 0.14375 PB1 6 -0.494789 0.554266 0.201007 11.00000 0.01132 0.01574 = 0.02044 0.00033 0.00186 -0.00032 I1 3 -0.476737 0.750000 0.295552 10.50000 0.02040 0.01352 = 0.03130 0.00000 0.00300 0.00000 I2 3 0.003383 0.565095 0.203654 11.00000 0.00977 0.03073 = 0.03776 0.00462 0.00203 -0.00002 I3 3 -0.475278 0.373585 0.095727 11.00000 0.02652 0.01374 = 0.02208 0.00034 0.00194 0.00017 I4 3 -0.500000 0.500000 0.500000 10.50000 0.03375 0.03202 = 0.01894 0.00467 0.00117 0.00372 O1 5 -0.061755 0.750000 0.732782 10.50000 0.05386 0.01912 = 0.02151 0.00000 0.00052 0.00000 N2 4 0.045224 0.750000 0.470680 10.50000 0.01393 0.09991 = 0.02417 0.00000 0.00870 0.00000 AFIX 23 H2A 2 -0.081493 0.750000 0.423415 10.50000 -1.20000 H2B 2 0.149161 0.750000 0.412913 10.50000 -1.20000 AFIX 0 C1 1 0.063001 0.674080 0.552649 11.00000 0.09304 0.07217 = 0.03796 -0.01306 -0.00189 0.05320 AFIX 23 H1A 2 0.207802 0.669495 0.594491 11.00000 -1.20000 H1B 2 0.035200 0.624645 0.496808 11.00000 -1.20000 AFIX 0 C2 1 -0.093662 0.678336 0.655937 11.00000 0.08623 0.02157 = 0.03463 -0.00252 -0.00404 -0.01510 AFIX 23 H2C 2 -0.238678 0.678705 0.613692 11.00000 -1.20000 H2D 2 -0.078998 0.628821 0.713021 11.00000 -1.20000 AFIX 0 N1 4 -0.015439 0.750000 1.001327 10.50000 0.06046 0.03062 = 0.02514 0.00000 -0.00226 0.00000 H1C 2 0.047856 0.795111 1.035709 11.00000 0.06008 H1D 2 -0.151502 0.750000 1.019483 10.50000 0.11230 H1E 2 -0.005661 0.750000 0.914210 10.50000 0.07525 HKLF 4 REM sc_11_153k_autoabs_a.res in P2(1)/m REM wR2 = 0.1003, GooF = S = 0.987, Restrained GooF = 0.984 for all data REM R1 = 0.0347 for 2478 Fo > 4sig(Fo) and 0.0381 for all 2731 data REM 86 parameters refined using 18 restraints END WGHT 0.0484 4.1214 REM Highest difference peak 2.239, deepest hole -2.360, 1-sigma level 0.397 Q1 1 -0.4821 0.5575 0.1169 11.00000 0.05 2.24 Q2 1 -0.2569 0.5558 0.2046 11.00000 0.05 1.90 Q3 1 -0.4968 0.5583 0.2827 11.00000 0.05 1.81 Q4 1 0.1384 0.5593 0.2147 11.00000 0.05 1.81 Q5 1 -0.6948 0.5585 0.2066 11.00000 0.05 1.74 Q6 1 -0.4719 0.4988 0.4180 11.00000 0.05 1.49 Q7 1 -0.3673 0.5615 0.2280 11.00000 0.05 1.43 Q8 1 -0.6913 0.3762 0.0981 11.00000 0.05 1.39 Q9 1 -0.1275 0.5587 0.1821 11.00000 0.05 1.34 Q10 1 -0.4247 0.3770 0.0113 11.00000 0.05 1.25 Q11 1 -0.6032 0.6047 0.2424 11.00000 0.05 1.25 Q12 1 -0.6106 0.6376 0.1879 11.00000 0.05 1.18 Q13 1 -0.3087 0.5216 0.0884 11.00000 0.05 1.14 Q14 1 -0.4231 0.4196 0.2394 11.00000 0.05 1.13 Q15 1 -0.2901 0.3731 0.1016 11.00000 0.05 1.11 Q16 1 0.2827 0.7500 0.9088 10.50000 0.05 1.10 Q17 1 -0.6125 0.4278 0.1230 11.00000 0.05 1.09 Q18 1 -0.6778 0.5940 0.3171 11.00000 0.05 1.06 Q19 1 -0.3307 0.6008 0.3399 11.00000 0.05 1.06 Q20 1 -0.4749 0.7500 0.3782 10.50000 0.05 1.05 Q21 1 -0.3797 0.5005 0.1587 11.00000 0.05 1.03 Q22 1 -0.4808 0.3770 0.1788 11.00000 0.05 1.02 Q23 1 -0.4391 0.5846 0.0588 11.00000 0.05 1.01 Q24 1 -0.6680 0.5069 0.0782 11.00000 0.05 1.00 Q25 1 -0.2508 0.7500 0.2786 10.50000 0.05 1.00 Q26 1 0.0600 0.5614 0.1086 11.00000 0.05 0.98 Q27 1 -0.3008 0.7188 0.1846 11.00000 0.05 0.96 Q28 1 -0.6449 0.4955 0.4806 11.00000 0.05 0.95 Q29 1 0.2142 0.5568 0.1193 11.00000 0.05 0.94 Q30 1 0.0230 0.6209 0.2391 11.00000 0.05 0.94 Q31 1 -0.1952 0.6836 1.1783 11.00000 0.05 0.92 Q32 1 -0.2098 0.4787 0.2678 11.00000 0.05 0.92 Q33 1 -0.1253 0.4637 0.1929 11.00000 0.05 0.91 Q34 1 0.3241 0.7206 0.4013 11.00000 0.05 0.90 Q35 1 -0.3642 0.6631 0.3111 11.00000 0.05 0.90 Q36 1 -0.3932 0.7500 0.2235 10.50000 0.05 0.89 Q37 1 -0.4002 0.6455 0.2255 11.00000 0.05 0.88 Q38 1 -0.3786 0.4687 0.1165 11.00000 0.05 0.88 Q39 1 -0.3615 0.4737 0.2082 11.00000 0.05 0.87 Q40 1 -0.1468 0.8656 0.9150 11.00000 0.05 0.87 Q41 1 0.1901 0.6168 0.3405 11.00000 0.05 0.87 Q42 1 -0.4843 0.2500 0.2226 10.50000 0.05 0.87 Q43 1 0.1208 0.4778 0.2205 11.00000 0.05 0.86 Q44 1 0.2861 0.8349 1.0107 11.00000 0.05 0.86 Q45 1 -0.2932 0.5052 0.3352 11.00000 0.05 0.85 Q46 1 -0.2513 0.4053 0.0027 11.00000 0.05 0.85 Q47 1 -0.4626 0.6199 0.2375 11.00000 0.05 0.85 Q48 1 -0.1763 0.5938 0.3238 11.00000 0.05 0.84 Q49 1 0.1752 0.6942 0.4145 11.00000 0.05 0.84 Q50 1 -0.6980 0.6425 0.2663 11.00000 0.05 0.84 Q51 1 -0.1050 0.5196 0.2431 11.00000 0.05 0.84 Q52 1 0.2515 0.7808 0.9766 11.00000 0.05 0.84 Q53 1 -0.4356 0.4770 0.2470 11.00000 0.05 0.83 Q54 1 -0.1088 0.8413 1.1184 11.00000 0.05 0.83 Q55 1 0.1065 0.8804 0.9098 11.00000 0.05 0.83 Q56 1 -0.6940 0.7500 0.2747 10.50000 0.05 0.82 Q57 1 0.1822 0.8373 1.1963 11.00000 0.05 0.81 Q58 1 -0.3824 0.6046 0.1623 11.00000 0.05 0.81 Q59 1 -0.6422 0.5572 0.5430 11.00000 0.05 0.81 Q60 1 -0.3146 0.7500 0.3442 10.50000 0.05 0.81 ; _shelx_res_checksum 13952 _shelx_hkl_file ; 0 0 1 522.90 8.38 0 0 1 475.39 7.21 0 0 2 1850.99 54.42 0 0 2 1850.15 55.52 0 0 -2 1809.01 54.32 0 0 -2 1924.36 55.39 0 0 3 3361.23 97.05 0 0 3 3320.23 98.59 0 0 -3 3232.58 98.24 0 0 -4 513.04 18.15 0 0 4 535.58 16.92 0 0 -4 516.66 17.14 0 0 5 160.67 7.12 0 0 -5 151.26 7.19 0 0 6 40.26 3.35 0 0 -6 36.08 3.43 0 0 -6 35.61 3.93 0 0 7 1829.51 55.89 0 0 -7 1826.97 56.28 0 0 -7 1736.23 57.45 0 0 8 442.77 16.75 0 0 -8 451.10 18.24 0 0 -8 410.12 16.54 0 0 -9 143.37 8.98 0 0 9 152.84 8.19 0 0 -10 2023.13 64.67 0 0 10 1996.54 62.86 0 0 11 82.91 6.03 0 0 12 104.30 7.13 0 1 -1 606.03 18.38 0 -1 1 592.14 18.37 0 1 -2 64.54 3.57 0 -1 2 61.66 3.02 0 -1 -2 63.27 3.23 0 1 2 56.04 2.74 0 1 3 1629.15 47.59 0 -1 3 1545.41 47.61 0 -1 -3 1484.96 48.21 0 1 -3 1631.99 48.99 0 -1 3 1692.74 48.90 0 -1 -4 416.82 15.93 0 -1 -4 456.24 14.79 0 -1 4 441.01 15.19 0 -1 4 432.16 15.67 0 1 4 427.23 14.99 0 1 -4 456.90 16.55 0 1 -5 0.75 1.23 0 -1 5 3.61 1.17 0 1 5 0.71 0.86 0 -1 -5 1.36 1.25 0 -1 -5 9.44 1.54 0 1 -5 6.54 1.67 0 -1 6 195.75 8.84 0 1 -6 197.11 8.89 0 1 -6 188.56 9.90 0 1 6 202.03 8.79 0 -1 -6 199.94 8.59 0 1 -6 196.29 9.47 0 -1 -6 190.11 9.71 0 1 -7 427.83 17.81 0 -1 7 425.41 16.31 0 -1 -7 397.28 17.12 0 1 -7 461.05 16.62 0 1 7 432.95 16.22 0 -1 -7 434.57 16.05 0 -1 8 41.62 3.91 0 1 8 41.62 3.81 0 1 -8 45.74 4.79 0 -1 -8 40.43 4.45 0 -1 -8 41.12 3.76 0 -1 -9 54.87 4.55 0 1 9 63.04 4.90 0 -1 9 58.84 4.76 0 1 -9 66.08 5.87 0 -1 -9 60.86 5.56 0 1 10 3.37 2.07 0 -1 10 5.43 2.31 0 1 -10 5.87 2.80 0 -1 11 95.40 6.62 0 1 11 98.47 6.69 0 1 12 5.99 2.34 0 1 13 109.19 7.45 0 -2 0 1814.34 52.82 0 2 0 1833.64 52.81 0 2 -1 89.23 3.31 0 2 -2 419.21 13.45 0 -2 3 3444.23 101.91 0 2 -3 3471.60 101.71 0 -2 -3 3399.04 100.83 0 -2 4 358.13 13.92 0 -2 -4 339.19 13.24 0 2 4 382.69 12.87 0 2 -4 357.78 14.05 0 -2 4 372.56 12.98 0 -2 5 1360.40 42.66 0 2 5 1327.30 41.20 0 -2 -5 1261.12 41.99 0 2 -5 1346.20 41.36 0 2 -5 1339.97 43.07 0 -2 -5 1365.95 40.45 0 -2 5 1312.05 41.37 0 -2 6 238.02 10.76 0 -2 -6 276.43 10.20 0 -2 -6 242.05 11.30 0 2 -6 255.13 10.52 0 2 6 250.20 10.33 0 2 -6 253.41 11.94 0 -2 6 269.98 10.86 0 2 -7 1578.13 52.50 0 2 -7 1639.48 50.53 0 2 7 1681.32 50.79 0 -2 7 1629.08 50.99 0 -2 -7 1657.29 50.04 0 -2 -7 1511.95 51.78 0 2 8 75.88 5.29 0 -2 8 80.82 7.26 0 2 -8 88.59 6.61 0 -2 -8 76.53 5.02 0 2 -8 82.45 5.33 0 -2 -8 84.19 6.33 0 -2 8 88.62 5.71 0 -2 9 19.58 3.07 0 -2 9 23.52 4.54 0 -2 -9 24.32 2.98 0 2 -9 20.70 2.73 0 -2 -9 22.21 3.54 0 2 9 24.95 3.12 0 2 -9 23.14 3.79 0 -2 -10 429.10 18.03 0 -2 -10 386.41 15.66 0 2 10 415.98 16.46 0 2 -10 417.74 18.06 0 2 11 6.31 2.27 0 2 12 28.64 3.93 0 2 13 179.77 9.82 0 3 0 0.62 0.36 0 3 -1 1546.89 45.37 0 3 -2 571.43 17.80 0 -3 3 1980.51 60.80 0 3 -3 1973.29 58.74 0 -3 -4 3574.01 107.67 0 -3 4 3494.27 108.95 0 -3 -5 0.88 1.10 0 3 5 2.97 1.02 0 3 -5 0.57 0.93 0 3 -5 -0.18 1.15 0 -3 5 1.26 1.33 0 -3 6 2442.98 77.32 0 -3 -6 2338.46 76.66 0 3 -6 2637.25 78.07 0 3 6 2505.50 75.85 0 -3 -6 2658.53 74.72 0 3 -6 2475.58 75.63 0 3 -7 477.65 17.52 0 -3 -7 530.42 17.26 0 3 -7 491.83 19.66 0 -3 7 431.69 18.04 0 -3 -7 470.33 18.80 0 3 7 509.86 17.82 0 -3 7 492.27 20.91 0 -3 -8 196.42 10.55 0 3 -8 204.55 9.38 0 -3 8 198.72 12.10 0 3 -8 229.36 11.41 0 3 8 200.48 9.59 0 -3 -8 212.29 9.08 0 3 9 177.96 9.02 0 -3 -9 175.61 10.03 0 -3 9 201.85 12.17 0 3 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2.33 0 -4 -10 10.27 2.21 0 4 11 132.08 7.98 0 -4 -11 113.49 6.76 0 4 12 33.23 4.24 0 5 0 1.07 0.60 0 5 -1 5655.62 163.53 0 -5 2 1647.83 49.12 0 5 -2 1644.01 48.99 0 5 -3 430.50 15.44 0 -5 3 536.81 16.34 0 5 -4 777.58 25.21 0 5 -4 802.28 25.44 0 -5 5 25.93 3.55 0 -5 5 24.33 3.49 0 5 -5 27.57 2.68 0 5 -5 29.29 2.75 0 5 -6 665.43 22.21 0 -5 -6 648.42 22.96 0 -5 6 603.24 23.99 0 5 -6 654.08 21.97 0 5 6 619.96 21.78 0 -5 -7 169.26 9.01 0 5 -7 171.55 8.22 0 5 -7 178.98 8.31 0 -5 7 179.28 9.98 0 -5 7 173.83 11.05 0 5 7 179.97 8.39 0 5 -8 702.21 23.86 0 -5 -8 643.79 24.95 0 5 8 702.88 24.24 0 -5 8 676.93 28.13 0 -5 -8 724.24 22.80 0 5 -8 670.08 23.79 0 -5 8 665.33 25.56 0 5 9 1230.87 41.12 0 -5 -9 1249.67 42.88 0 5 -9 1242.76 41.03 0 -5 -9 1337.48 40.14 0 5 -9 1232.54 40.83 0 -5 9 1352.63 46.46 0 -5 10 0.83 2.80 0 -5 -10 1.18 1.55 0 5 -10 1.08 1.77 0 5 10 0.62 1.68 0 5 11 676.55 24.20 0 -5 -11 586.82 22.23 0 -5 -12 129.78 7.50 0 5 12 147.81 8.88 0 6 0 1204.49 36.22 0 6 -1 436.48 14.03 0 -6 1 416.06 14.01 0 -6 2 2422.70 70.32 0 6 -2 2335.43 70.10 0 -6 3 42.69 2.94 0 6 -3 33.03 2.53 0 -6 4 88.58 6.05 0 6 -4 84.17 4.49 0 -6 5 673.34 25.84 0 6 -5 705.30 23.19 0 6 -5 704.49 23.08 0 -6 5 663.28 26.18 0 6 -6 2.16 1.41 0 -6 6 4.69 2.38 0 6 -6 3.08 1.38 0 -6 6 2.71 2.17 0 6 -7 12.85 2.22 0 -6 7 12.37 3.06 0 -6 7 14.12 3.52 0 6 -7 10.47 2.09 0 -6 -7 11.78 2.48 0 6 7 12.38 2.12 0 -6 -8 436.24 18.30 0 6 -8 463.73 17.23 0 6 8 475.75 17.54 0 6 -8 431.54 16.91 0 -6 8 462.90 19.60 0 -6 8 501.74 22.06 0 -6 9 81.68 8.22 0 6 -9 74.64 5.35 0 -6 9 74.44 6.45 0 6 9 80.74 5.71 0 -6 -9 76.88 6.24 0 6 -9 76.00 5.46 0 -6 -9 85.60 5.01 0 6 10 146.94 8.43 0 -6 10 151.02 11.58 0 6 -10 137.52 7.97 0 6 -10 168.47 8.52 0 -6 -10 150.95 7.51 0 -6 -11 29.56 3.38 0 6 11 37.43 4.26 0 -6 11 44.25 6.76 0 -6 -12 227.98 10.75 0 6 12 259.98 12.55 0 7 0 16.59 1.55 0 -7 0 1.84 0.89 0 7 -1 677.54 21.95 0 -7 1 714.76 22.14 0 7 -2 1568.92 47.85 0 -7 2 1611.09 47.95 0 7 -3 2.84 1.13 0 -7 3 5.24 1.25 0 -7 4 505.86 19.57 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30.70 2 1 -3 1013.11 31.56 2 1 -2 34.98 1.62 2 -1 -2 31.43 1.96 -2 1 2 31.49 2.41 2 1 -2 34.79 2.50 2 -1 -2 30.95 2.27 -2 1 1 839.59 25.20 2 1 -1 860.32 24.86 2 -1 -1 759.78 25.36 2 -1 -1 843.18 25.50 -2 -1 1 857.31 24.67 -2 -1 0 3.59 0.66 2 -1 0 3.04 0.83 2 1 0 3.45 0.77 -2 -1 -1 255.70 9.21 2 -1 1 251.52 9.54 2 1 2 92.26 5.34 2 -1 2 100.75 5.53 -2 -1 -3 1001.45 33.24 2 1 3 1046.22 34.28 2 -1 3 1017.95 30.47 2 -1 3 1012.04 34.04 -2 -1 -4 172.64 8.89 2 1 4 166.93 9.29 2 -1 4 168.71 6.58 2 1 4 163.47 6.48 2 -1 4 166.29 9.31 2 -1 5 9.28 1.95 2 -1 5 9.65 1.46 2 1 5 8.57 1.29 2 -1 5 11.25 2.84 -2 -1 -5 8.17 2.31 2 1 5 10.57 2.81 2 1 5 12.01 1.53 -2 -1 -6 222.91 11.77 2 -1 6 233.84 12.98 2 -1 6 258.63 9.74 2 1 6 226.32 9.25 2 1 6 271.56 13.73 2 -1 6 216.71 9.88 2 -1 7 417.93 14.86 2 -1 7 389.10 18.63 2 1 7 392.12 14.51 2 -1 7 366.09 14.81 2 -1 8 10.07 3.30 2 1 8 7.82 3.18 2 -1 8 3.93 1.61 2 1 8 8.08 1.81 2 -1 9 74.13 5.22 2 1 9 77.76 5.28 2 -1 10 3.40 3.28 2 -1 10 2.10 1.95 2 1 10 2.46 2.02 2 -1 11 49.15 4.51 2 1 11 52.13 4.62 2 1 12 20.51 3.29 2 -1 12 15.83 3.13 2 1 13 67.19 5.65 2 -2 -13 180.12 10.11 -2 2 12 25.46 3.88 2 -2 -12 24.70 3.76 2 -2 -11 3.68 2.22 -2 2 11 4.40 2.46 2 2 -11 8.32 2.98 -2 2 10 422.23 17.52 2 2 -10 385.54 17.19 2 -2 -10 413.36 18.01 2 -2 -10 454.57 17.22 2 2 -10 404.17 17.58 2 -2 -9 27.12 3.49 -2 2 9 24.18 3.57 2 2 -9 22.73 3.52 2 -2 -9 15.95 3.26 2 2 -9 17.84 3.33 -2 2 8 115.32 7.48 2 2 -8 119.66 7.73 2 -2 -8 113.33 7.41 2 2 -8 108.57 6.83 2 -2 -7 1364.41 43.07 2 2 -7 1306.81 42.54 2 2 -7 1308.79 43.42 2 2 -6 342.60 14.01 2 -2 -6 332.80 13.42 2 2 -6 316.55 13.21 2 2 -6 350.88 14.16 2 -2 -5 1214.12 37.98 2 2 -5 1277.69 39.23 2 2 -5 1230.23 38.78 2 -2 -4 138.75 6.43 2 2 -4 136.51 7.10 2 2 -4 137.63 6.69 2 2 -4 127.31 6.55 2 2 -3 2189.27 70.09 2 -2 -3 2448.18 69.93 2 2 -3 2470.20 70.98 2 -2 -3 2333.15 70.31 2 2 -3 2504.85 71.30 -2 2 3 2304.61 70.74 2 -2 -2 210.43 7.45 2 2 -2 201.98 8.05 2 -2 -2 216.55 7.58 2 2 -2 195.41 6.85 -2 2 1 8.73 1.02 2 -2 -1 11.64 1.06 2 -2 -1 10.80 1.18 -2 -2 0 1830.03 48.94 2 -2 0 1802.82 49.85 2 2 1 66.70 3.61 2 -2 1 69.52 3.76 -2 -2 -1 74.60 3.94 2 2 2 476.13 17.07 2 -2 2 495.31 17.82 -2 -2 -2 486.10 17.11 2 -2 3 2569.91 78.35 2 2 3 2577.51 77.98 2 -2 3 2533.44 74.46 -2 -2 -3 2594.56 77.73 -2 2 -4 508.56 18.02 2 2 4 495.95 19.64 -2 -2 -4 514.74 19.27 2 -2 4 477.16 19.60 2 -2 4 496.81 16.31 -2 2 -5 1032.17 34.97 2 -2 5 1122.88 33.79 2 -2 5 1042.51 37.82 2 2 5 1093.78 37.89 -2 -2 -5 1113.40 37.12 2 -2 6 107.22 6.50 2 2 6 113.86 8.28 2 -2 6 113.67 5.66 -2 2 -6 90.35 5.88 2 -2 6 118.92 8.55 2 2 6 97.37 5.13 -2 -2 -6 98.06 7.06 2 2 7 1193.78 38.26 2 -2 7 1261.96 38.73 2 -2 7 1178.19 43.38 2 -2 7 1176.76 39.55 -2 -2 -7 1271.32 41.92 2 -2 8 42.33 5.66 -2 -2 -8 53.06 5.52 2 2 8 39.92 3.57 2 -2 8 47.58 3.90 2 -2 8 42.99 3.97 2 2 9 21.62 2.94 -2 2 -9 23.82 4.34 2 -2 9 26.77 3.07 2 -2 9 23.57 4.65 2 -2 10 329.38 17.93 2 2 10 320.13 13.47 2 -2 10 320.20 13.42 2 -2 11 14.15 4.55 2 2 11 5.77 2.30 2 2 12 33.04 3.99 2 2 13 152.72 8.82 2 -3 -13 111.63 7.57 2 -3 -12 34.55 4.36 -2 3 12 35.72 4.50 -2 3 11 202.78 11.04 2 -3 -11 217.83 10.73 2 3 -11 195.71 11.07 2 3 -10 54.69 5.45 2 -3 -10 52.51 5.49 -2 3 10 51.51 5.08 2 -3 -10 63.46 5.38 2 -3 -9 165.89 9.55 2 -3 -9 182.99 8.72 2 3 -9 165.93 9.66 2 3 -9 163.36 9.61 -2 3 9 160.95 9.29 2 3 -8 179.78 9.39 2 -3 -8 198.16 10.10 2 3 -7 521.66 19.07 2 3 -7 514.22 19.73 2 -3 -7 498.33 19.12 2 3 -6 2019.10 63.46 2 3 -6 2123.67 64.48 2 3 -6 2013.11 62.94 2 3 -5 74.09 4.95 2 3 -5 76.18 5.50 2 3 -5 66.17 4.65 -2 -3 4 3505.79 102.55 2 3 -4 3379.53 101.89 -2 3 4 3301.21 102.43 2 3 -4 3434.35 102.33 2 3 -4 3698.13 103.88 -2 -3 3 1285.68 40.86 -2 3 3 1365.26 41.69 2 3 -3 1395.58 40.82 2 -3 -3 1340.93 40.98 2 3 -3 1333.37 42.71 2 -3 -2 655.79 20.64 2 3 -2 627.88 21.82 -2 3 2 639.43 20.74 -2 3 1 1095.11 34.31 2 3 -1 1171.73 35.79 2 -3 -1 1198.69 34.92 -2 3 0 21.94 1.25 -2 -3 0 23.29 1.47 2 -3 0 21.76 1.92 2 3 0 22.97 1.92 2 -3 1 1090.12 34.15 -2 -3 -1 1110.68 33.93 2 -3 2 384.33 13.52 -2 -3 -2 343.52 13.55 2 -3 3 1522.55 48.36 -2 -3 -3 1573.39 47.72 -2 3 -3 1449.96 46.25 2 -3 4 2648.54 82.28 -2 3 -4 2548.19 79.17 -2 -3 -4 2778.53 81.19 -2 3 -5 64.06 4.63 -2 -3 -5 70.23 5.61 2 -3 5 58.17 5.71 2 -3 6 2213.17 66.90 -2 3 -6 2091.11 68.02 2 -3 6 2258.86 72.27 -2 -3 -6 2361.36 70.58 2 -3 6 2304.31 69.80 2 -3 7 351.69 17.46 2 3 7 351.53 12.99 -2 -3 -7 335.35 15.32 -2 3 -7 314.74 13.74 2 -3 7 338.69 14.60 -2 3 -8 180.30 9.31 2 3 8 180.61 8.56 2 -3 8 188.12 9.79 2 -3 8 207.15 12.79 -2 -3 -8 176.45 10.37 2 3 9 175.12 8.55 2 -3 9 174.91 12.14 -2 3 -9 164.80 9.06 2 -3 9 171.60 9.07 -2 -3 -9 166.12 10.12 2 -3 10 12.93 4.20 2 3 10 7.85 2.36 2 -3 11 133.30 11.19 2 3 11 117.72 7.37 2 3 12 14.50 2.95 2 -3 12 20.26 5.16 2 3 13 150.62 8.89 2 -4 -13 45.90 5.03 -2 4 12 41.81 4.82 2 -4 -12 43.89 4.73 -2 4 11 92.38 7.19 2 4 -11 101.65 7.72 2 -4 -11 114.64 7.15 2 4 -10 11.69 3.23 2 -4 -10 10.45 2.99 -2 4 10 8.86 2.75 2 -4 -10 13.94 2.72 2 -4 -9 155.33 9.08 2 4 -9 158.83 9.39 2 4 -8 16.91 3.19 2 -4 -8 14.97 2.74 2 4 -7 51.72 4.72 2 4 -7 54.97 4.50 2 -4 -7 49.63 4.43 2 4 -7 59.48 5.57 -2 -4 7 57.17 5.79 2 4 -6 560.83 20.84 2 4 -6 555.31 20.53 2 4 -6 579.74 22.45 -2 4 5 36.54 3.42 2 4 -5 32.01 3.18 2 4 -5 26.46 2.94 -2 -4 5 38.29 3.85 2 4 -5 36.26 4.10 -2 4 4 721.94 24.53 -2 -4 4 753.97 25.01 2 4 -4 725.31 22.38 2 4 -4 712.23 26.18 2 -4 -3 109.46 5.31 -2 -4 3 96.63 5.26 -2 4 3 118.19 5.71 2 4 -3 103.55 3.68 2 4 -3 124.70 6.95 2 -4 -2 332.31 11.68 -2 4 2 294.93 11.36 -2 -4 2 346.67 10.97 2 4 -2 303.57 12.76 -2 4 1 762.36 24.26 2 -4 -1 794.91 24.94 2 4 -1 845.79 26.52 2 -4 0 80.04 4.18 2 -4 1 886.35 27.49 -2 -4 -1 840.14 26.62 -2 4 -2 7.26 1.43 -2 4 -2 5.03 0.58 2 -4 2 6.87 1.48 -2 -4 -2 9.01 1.53 -2 4 -3 42.58 2.25 -2 -4 -3 39.88 3.55 2 -4 3 40.91 3.45 -2 4 -3 36.36 3.04 -2 4 -4 907.72 27.81 2 -4 4 896.26 31.87 -2 -4 -4 909.88 30.52 -2 4 -4 863.30 29.09 -2 4 -5 18.63 1.95 -2 -4 -5 16.21 2.82 2 -4 5 19.31 3.48 -2 4 -5 16.08 2.40 -2 -4 -6 533.38 20.89 -2 4 -6 490.43 19.27 2 -4 6 558.43 23.23 -2 4 -6 572.94 18.59 2 -4 7 4.61 2.31 -2 4 -7 5.59 1.91 2 -4 7 4.08 2.56 2 4 7 5.06 1.47 -2 -4 -7 5.44 2.27 2 4 8 28.56 3.07 2 -4 8 35.01 5.64 -2 4 -8 23.78 3.20 2 -4 8 30.26 4.06 -2 -4 -8 35.40 4.40 2 -4 9 215.16 14.05 2 -4 9 217.70 11.17 -2 -4 -9 195.03 11.17 2 4 9 210.68 9.80 -2 4 -9 200.78 10.28 2 4 10 6.72 2.34 2 -4 10 12.26 2.82 2 -4 10 8.38 4.11 2 -4 11 111.93 10.47 2 4 11 107.57 7.08 2 4 12 7.31 2.82 2 -5 -13 52.50 5.20 -2 5 12 171.07 9.88 2 -5 -12 172.94 9.09 2 5 -11 478.59 18.52 -2 5 11 495.55 20.55 2 5 -10 26.24 3.07 2 -5 -10 24.32 3.12 2 -5 -9 1231.43 41.22 2 -5 -8 486.54 18.86 -2 -5 8 481.72 20.83 -2 -5 7 277.48 12.98 2 5 -7 210.26 8.97 2 5 -6 607.16 22.45 2 5 -6 616.74 20.65 2 5 -5 76.23 5.02 -2 5 5 73.73 5.12 2 5 -5 86.23 4.11 -2 -5 5 84.24 5.93 -2 5 4 628.71 21.60 -2 -5 4 613.42 21.83 2 5 -4 619.42 19.18 2 -5 -4 638.78 21.18 2 -5 -3 425.61 15.35 -2 5 3 413.06 15.25 -2 -5 3 409.40 15.08 2 5 -3 449.39 13.21 -2 -5 2 1541.57 45.86 2 -5 -2 1602.86 47.05 -2 -5 1 3545.96 111.32 2 -5 -1 3774.74 110.46 -2 -5 1 3788.58 108.17 -2 -5 0 126.74 6.09 2 -5 0 148.50 6.37 -2 -5 -1 4387.61 132.96 2 -5 1 4829.40 134.35 -2 5 -1 4668.02 134.02 -2 5 -2 1147.30 34.73 -2 -5 -2 1106.05 32.29 -2 -5 -2 1025.71 34.18 2 -5 2 1123.97 34.92 2 -5 3 503.55 17.24 -2 -5 -3 479.65 16.66 -2 5 -3 443.21 14.48 -2 5 -3 457.92 16.33 -2 -5 -4 732.40 25.20 2 -5 4 749.92 27.31 -2 5 -4 736.16 24.59 -2 5 -4 726.93 22.81 -2 5 -5 1.10 0.91 -2 5 -5 1.11 1.33 2 -5 5 1.75 2.01 -2 -5 -5 1.76 1.76 -2 5 -6 525.50 17.50 -2 -5 -6 493.93 19.71 -2 5 -6 500.60 18.78 2 -5 6 505.46 22.02 -2 5 -7 100.74 5.30 -2 5 -7 81.51 5.65 -2 -5 -7 97.88 6.87 2 -5 7 92.12 8.43 2 -5 7 81.13 6.89 2 -5 8 613.57 23.67 -2 5 -8 561.15 21.62 2 -5 8 651.27 27.18 -2 -5 -8 607.83 23.36 2 5 8 599.59 21.18 2 5 9 944.93 30.64 -2 5 -9 819.76 30.54 2 -5 9 956.87 37.18 2 -5 9 961.03 32.96 -2 -5 -9 851.50 32.18 2 -5 10 18.49 4.88 2 5 10 19.12 3.01 2 -5 10 19.77 3.70 2 5 11 654.27 24.09 2 5 12 128.00 8.04 2 -6 -13 5.64 2.81 2 -6 -12 242.22 11.15 -2 6 12 201.80 11.50 2 -6 -11 65.32 5.02 2 6 -11 58.43 4.68 2 6 -10 118.10 6.55 2 6 -9 43.36 3.65 2 6 -9 53.49 4.79 -2 -6 9 55.16 6.11 2 -6 -9 40.91 4.40 2 -6 -8 355.89 14.90 -2 -6 8 391.35 17.27 2 6 -8 351.09 13.41 2 6 -7 9.11 1.66 -2 -6 7 8.35 2.67 -2 -6 6 9.63 2.63 2 6 -6 7.13 1.42 -2 6 6 6.94 1.92 2 6 -6 5.80 1.91 -2 6 5 768.30 25.39 -2 -6 5 747.15 26.13 2 6 -5 716.87 22.91 2 -6 -4 53.08 3.86 -2 6 4 48.14 3.66 2 6 -4 48.30 2.46 2 -6 -3 77.28 4.68 -2 -6 3 75.22 4.51 -2 -6 3 70.74 6.08 2 6 -3 82.21 3.11 -2 -6 2 1923.79 55.24 -2 -6 2 1957.52 60.86 2 -6 -2 1785.64 57.56 -2 -6 1 446.71 17.48 2 -6 -1 401.58 15.11 -2 -6 1 441.11 13.24 2 -6 0 1033.41 33.11 -2 6 0 1020.44 32.73 2 -6 1 131.15 6.67 -2 6 -1 140.97 6.55 2 -6 2 1645.09 51.03 -2 6 -2 1664.49 50.70 2 -6 3 7.56 1.79 -2 6 -3 8.28 1.68 -2 6 -3 9.67 1.12 -2 -6 -3 8.13 1.63 -2 -6 -4 52.50 4.04 -2 6 -4 51.02 3.82 -2 6 -4 54.09 2.97 2 -6 4 56.56 5.35 2 -6 5 464.99 19.42 -2 6 -5 414.98 14.58 -2 -6 -5 438.45 16.77 -2 6 -5 460.58 16.49 -2 -6 -5 432.04 13.48 -2 -6 -6 1.88 1.65 -2 6 -6 1.28 1.58 2 -6 6 0.34 2.18 -2 6 -6 0.93 0.98 -2 6 -7 24.00 2.50 -2 6 -7 22.32 2.94 2 -6 7 32.27 5.04 -2 -6 -7 28.30 3.84 -2 6 -8 368.11 15.43 -2 6 -8 381.78 14.32 2 6 8 406.83 15.12 -2 -6 -8 369.06 16.61 2 -6 8 431.19 20.50 2 -6 8 393.60 17.59 2 6 9 104.16 6.34 -2 -6 -9 93.24 7.25 2 -6 9 101.05 9.75 -2 6 -9 84.43 6.19 2 -6 9 88.39 7.41 2 6 10 140.31 8.18 2 -6 10 154.26 9.85 2 6 11 19.03 3.31 2 6 12 207.95 10.92 2 -7 -13 2.26 2.72 2 -7 -12 83.19 6.09 2 -7 -11 52.57 4.38 2 7 -11 51.84 4.34 2 7 -10 1.51 1.57 -2 -7 10 3.62 3.20 -2 -7 9 313.23 15.55 2 -7 -9 263.96 12.71 2 7 -9 282.14 12.77 2 7 -9 287.25 11.42 2 7 -8 359.35 13.59 -2 -7 8 406.62 17.90 -2 -7 7 7.17 2.80 -2 7 7 7.64 2.18 2 7 -7 8.82 1.72 -2 7 6 651.41 23.52 -2 -7 6 642.12 24.81 2 7 -6 677.16 21.52 2 7 -5 0.44 0.82 -2 7 5 0.48 1.19 -2 -7 5 3.84 1.78 2 -7 -5 2.35 1.50 2 -7 -4 407.25 14.91 2 7 -4 392.20 12.46 -2 -7 4 380.68 15.00 2 7 -3 28.60 1.67 2 -7 -3 27.89 2.87 -2 -7 3 26.48 2.66 -2 -7 3 28.30 3.82 -2 -7 2 845.33 31.00 -2 -7 2 887.22 26.44 2 -7 -2 901.36 28.89 -2 7 1 382.83 13.85 -2 -7 1 383.44 16.24 2 -7 -1 385.48 14.39 -2 -7 1 403.75 12.39 -2 7 0 12.86 1.77 -2 -7 0 13.06 1.18 2 -7 0 11.36 1.83 2 -7 1 818.49 27.24 -2 7 -1 835.31 26.82 2 -7 2 1148.94 37.26 -2 7 -2 1167.56 36.58 -2 7 -3 25.43 2.77 -2 7 -4 486.83 15.94 -2 7 -4 501.12 17.64 -2 -7 -4 450.44 17.32 -2 7 -5 0.78 1.33 2 -7 5 1.18 1.85 -2 -7 -5 2.11 1.66 -2 7 -5 0.92 0.98 -2 -7 -5 3.83 0.65 2 -7 6 290.44 15.24 -2 7 -6 296.83 11.20 -2 -7 -6 285.27 12.92 -2 7 -6 315.92 12.92 -2 -7 -6 306.18 9.93 -2 -7 -7 9.31 1.37 -2 -7 -7 10.03 2.70 2 -7 7 11.13 3.38 -2 7 -7 12.09 2.44 -2 7 -7 10.77 1.87 -2 -7 -8 324.67 14.70 -2 7 -8 313.60 13.43 -2 7 -8 310.89 12.12 2 -7 8 301.67 17.11 2 -7 8 305.97 15.16 2 7 9 166.88 8.56 2 -7 9 159.11 10.25 -2 7 -9 158.54 7.72 2 7 10 3.94 2.23 2 -7 10 5.48 3.04 2 7 11 100.62 6.99 2 7 12 104.29 7.34 2 -8 -12 385.29 15.33 -2 -8 11 3.14 3.53 2 8 -10 35.50 3.52 -2 -8 10 38.40 5.64 -2 -8 9 178.30 11.34 2 8 -9 145.64 7.29 2 8 -8 445.19 18.23 2 8 -8 482.06 17.01 -2 8 8 504.18 19.32 -2 -8 8 545.42 21.81 -2 -8 7 277.38 13.65 2 8 -7 272.63 10.08 -2 8 7 249.02 11.61 -2 -8 6 347.86 15.78 -2 8 6 353.30 14.49 2 8 -6 365.88 12.69 2 -8 -5 3644.73 108.48 -2 8 5 3519.08 107.49 2 8 -5 3685.79 105.39 -2 -8 5 3480.10 108.85 2 -8 -4 41.24 3.88 -2 -8 4 41.62 3.95 -2 -8 4 51.58 5.43 2 -8 -3 1059.52 34.36 2 8 -3 1076.30 31.69 -2 -8 2 2152.29 61.07 -2 -8 2 1936.64 66.27 2 -8 -2 1978.26 63.46 -2 -8 1 39.15 4.56 -2 8 1 36.85 2.98 -2 -8 1 34.81 2.05 2 -8 -1 35.46 3.22 -2 8 0 98.78 5.21 -2 -8 0 97.02 4.14 2 -8 0 92.59 5.48 2 -8 1 168.64 8.02 -2 8 -1 166.01 7.61 -2 8 -2 1646.30 50.87 -2 8 -3 509.52 18.14 -2 -8 -4 346.35 13.94 -2 8 -4 382.40 12.76 -2 8 -4 349.96 13.91 -2 -8 -5 3603.18 108.42 -2 8 -5 3578.32 106.23 2 -8 5 3610.30 111.61 -2 8 -5 3688.87 108.06 2 -8 6 25.85 4.43 -2 8 -6 31.96 2.80 -2 -8 -6 28.65 3.65 -2 8 -6 31.88 3.48 -2 8 -7 457.75 17.28 -2 8 -7 451.27 15.70 -2 -8 -7 426.46 17.69 -2 -8 -7 443.42 14.12 -2 8 -8 502.76 17.73 -2 -8 -8 488.58 20.05 -2 8 -8 507.82 19.19 2 -8 8 471.91 21.05 2 8 9 65.31 5.10 -2 8 -9 64.87 4.53 2 -8 9 54.63 6.02 2 8 10 10.61 2.64 -2 8 -10 11.90 2.37 2 8 11 1.35 2.26 2 -9 -12 8.93 2.53 -2 -9 11 0.41 3.34 -2 -9 10 2.26 3.16 2 9 -10 1.32 1.67 -2 9 9 29.72 3.87 2 9 -9 26.70 2.89 -2 -9 9 29.50 5.11 -2 9 8 228.84 11.11 -2 -9 8 247.61 13.40 -2 -9 8 188.27 11.55 2 9 -8 227.68 9.28 2 9 -8 193.87 10.07 -2 9 7 50.90 4.61 -2 -9 7 60.18 6.26 2 9 -7 52.09 3.56 2 -9 -6 89.33 6.39 -2 9 6 94.80 5.99 -2 -9 6 103.67 7.35 2 9 -6 84.57 4.51 2 -9 -5 14.29 2.62 -2 -9 5 8.76 2.57 2 9 -5 12.54 1.63 -2 -9 5 15.10 3.70 -2 -9 4 1.22 2.19 -2 -9 4 1.65 1.58 2 -9 -4 2.16 1.59 2 9 -4 1.69 0.91 2 -9 -3 231.81 10.40 2 9 -3 234.69 8.26 -2 -9 3 235.83 8.40 -2 -9 3 207.93 12.12 -2 -9 2 277.33 9.45 -2 -9 2 263.08 13.73 2 -9 -2 277.79 11.61 -2 -9 1 2.00 2.45 -2 -9 1 4.11 0.89 -2 9 1 6.47 1.51 2 -9 0 2.28 1.28 -2 -9 0 4.18 0.92 -2 9 0 4.37 1.49 -2 9 -1 113.33 6.01 -2 9 -2 481.99 17.41 -2 9 -3 77.89 5.06 -2 9 -4 35.75 3.47 -2 9 -5 2.78 1.53 -2 9 -5 2.16 1.33 -2 -9 -5 2.80 1.85 2 -9 5 1.89 2.30 -2 9 -6 2.01 1.60 -2 9 -6 4.60 1.47 -2 -9 -6 1.22 1.86 -2 -9 -7 104.12 7.20 -2 -9 -7 110.34 4.50 -2 9 -7 113.39 7.04 -2 9 -7 110.76 5.89 -2 9 -8 130.91 6.74 -2 -9 -8 128.14 8.46 -2 9 -8 134.31 7.77 -2 -9 -8 139.86 5.52 2 -9 8 120.18 8.99 -2 9 -9 1.07 1.70 -2 9 -10 0.48 1.75 2 9 10 1.48 2.26 2 9 11 9.76 3.10 -2 -10 12 326.98 17.25 2 -10 -12 236.35 10.83 -2 -10 11 118.25 10.38 -2 10 10 269.07 13.57 -2 -10 10 328.34 17.18 -2 10 9 53.88 5.22 -2 -10 9 66.02 7.31 2 10 -9 59.98 4.37 -2 10 8 566.06 22.18 -2 -10 8 619.98 25.20 2 10 -8 587.10 20.22 2 10 -7 78.46 5.66 2 -10 -7 88.78 6.76 -2 -10 7 99.23 7.78 -2 10 7 87.17 6.09 2 10 -7 80.59 4.66 2 10 -6 2.17 1.11 2 -10 -6 3.26 2.07 -2 10 6 2.70 1.84 -2 -10 6 2.11 2.23 -2 -10 6 4.56 2.84 -2 -10 5 822.30 29.69 2 -10 -5 847.08 29.42 2 10 -5 897.68 26.68 2 10 -4 62.71 3.37 2 -10 -4 48.07 4.42 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7.45 5 -6 -7 71.51 6.49 5 6 -6 21.57 4.57 5 -6 -6 21.06 3.84 5 6 -6 20.88 3.55 -5 6 6 18.54 3.30 5 6 -5 3.05 2.96 5 -6 -5 2.38 1.98 5 6 -5 3.50 2.25 -5 6 5 6.19 2.35 5 6 -4 4.20 2.83 5 -6 -4 4.32 1.97 -5 6 4 8.63 2.38 5 6 -3 19.52 4.02 5 -6 -3 25.62 3.39 -5 6 2 134.89 6.80 5 -6 -2 132.16 7.88 5 6 -2 138.15 8.92 -5 6 1 55.63 4.16 5 -6 -1 57.38 4.97 5 6 -1 60.04 5.41 5 -6 0 8.24 2.37 -5 -6 0 8.88 1.28 -5 6 0 11.49 2.17 5 -6 1 6.47 2.25 -5 -6 -1 11.27 1.85 -5 6 -1 9.74 2.36 5 -6 2 52.22 5.26 -5 -6 -2 56.79 4.20 -5 6 -2 60.14 4.82 -5 -6 -3 123.90 7.03 5 -6 3 116.35 9.11 -5 6 -3 111.44 7.08 -5 -6 -4 41.43 4.49 -5 -6 -4 46.53 5.15 5 -6 4 32.94 5.28 -5 6 -4 37.33 4.17 -5 6 -5 5.33 2.35 5 -6 5 9.57 3.75 -5 -6 -5 8.25 3.01 5 -6 6 1.32 3.27 -5 -6 -6 5.18 2.97 -5 -6 -7 21.55 4.28 5 -6 7 21.37 5.40 5 -6 8 65.58 8.46 5 -6 9 6.57 4.18 5 6 9 10.40 2.68 5 -7 -11 15.74 6.00 5 -7 -10 8.86 4.28 -5 7 10 6.94 3.15 5 -7 -9 144.88 10.89 -5 7 9 143.59 9.59 -5 7 8 126.22 8.70 5 -7 -8 121.51 9.21 -5 7 7 44.86 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898.30 27.07 6 -5 -1 937.84 32.64 6 5 -1 985.45 33.21 6 -5 0 230.26 12.09 6 5 0 221.89 11.25 -6 -5 0 229.76 8.30 -6 5 0 225.47 10.17 6 -5 1 1626.47 55.33 -6 -5 -1 1644.08 51.03 -6 5 -1 1653.21 52.97 -6 -5 -2 222.73 9.52 -6 5 -2 221.42 10.64 6 -5 3 329.57 18.17 -6 -5 -3 378.83 15.01 -6 5 -3 369.87 15.53 6 -5 4 425.96 21.50 -6 -5 -4 436.21 17.41 -6 -5 -5 4.39 2.76 6 -5 5 2.77 3.51 6 -5 6 256.28 16.64 6 -5 7 35.83 6.87 6 -5 8 250.70 17.02 6 -6 -9 10.40 5.02 6 -6 -8 156.90 11.74 6 6 -8 164.43 11.64 6 6 -7 15.49 4.54 6 -6 -7 11.91 3.59 6 6 -6 1.14 3.39 6 -6 -6 1.47 2.50 6 6 -5 307.86 14.73 6 -6 -5 296.82 14.71 6 6 -5 337.50 17.11 6 6 -4 20.83 4.73 6 -6 -4 20.96 3.67 6 6 -4 21.70 3.70 6 -6 -3 143.84 8.84 6 6 -3 134.41 9.89 -6 6 2 526.76 18.68 6 -6 -2 488.85 20.66 6 6 -2 554.87 22.45 -6 6 1 225.75 9.93 6 -6 -1 211.16 11.54 6 6 -1 231.24 12.18 -6 6 0 317.57 13.25 6 -6 0 341.04 15.32 -6 -6 0 323.48 10.83 6 -6 1 3.95 2.65 -6 -6 -1 4.31 1.61 -6 6 -1 4.89 2.40 -6 -6 -2 456.27 15.80 -6 6 -2 407.36 16.79 -6 -6 -3 9.33 2.52 -6 6 -3 5.68 2.54 6 -6 3 7.66 3.66 -6 -6 -4 13.05 2.97 6 -6 4 8.31 3.80 -6 -6 -5 245.43 12.33 6 -6 5 213.34 14.97 6 -6 6 1.98 3.73 6 -6 7 64.24 8.45 6 -7 -9 188.85 14.13 6 -7 -8 135.65 11.17 6 -7 -7 103.06 8.76 6 -7 -6 299.23 15.38 6 7 -6 325.24 17.39 6 7 -5 7.23 4.00 6 -7 -5 4.11 2.76 6 7 -4 123.20 8.51 6 -7 -4 131.53 8.79 6 7 -4 137.93 10.44 6 7 -3 6.20 3.67 6 -7 -3 13.96 3.45 -6 7 2 151.55 7.72 6 -7 -2 150.85 9.32 -6 7 1 79.12 5.37 6 -7 -1 84.05 6.88 6 -7 0 15.79 3.50 -6 7 0 18.24 2.92 -6 -7 0 22.47 1.63 6 -7 1 402.45 18.42 -6 -7 -1 431.46 14.67 -6 7 -1 432.00 17.03 6 -7 2 268.46 14.11 -6 -7 -2 278.83 11.36 -6 7 -2 274.30 12.75 6 -7 3 80.99 8.40 -6 -7 -3 94.92 6.14 6 -7 4 264.85 16.74 -6 -7 -4 337.04 14.34 -6 -7 -5 3.91 3.15 6 -7 5 4.74 3.93 6 -7 6 85.94 9.42 6 -7 7 5.32 4.41 6 -8 -9 94.24 9.85 6 -8 -8 214.74 14.03 6 -8 -7 105.09 9.16 6 -8 -6 214.02 12.76 6 -8 -5 1073.02 38.63 6 -8 -4 13.81 3.43 6 -8 -3 652.54 25.49 -6 8 2 741.56 25.09 6 -8 -2 704.46 27.37 -6 8 1 26.41 3.44 6 -8 -1 30.58 4.42 -6 8 0 271.99 11.67 6 -8 0 240.43 12.88 -6 -8 0 247.83 8.04 6 -8 1 122.19 8.87 -6 -8 -1 134.63 5.84 -6 8 -1 133.65 7.98 6 -8 2 565.01 24.38 -6 -8 -2 630.82 21.23 6 -8 3 124.06 10.55 -6 -8 -3 146.13 7.87 6 -8 4 288.12 17.78 -6 -8 -4 391.23 15.74 6 -8 5 919.81 40.59 -6 -8 -5 1177.43 38.14 6 -8 6 12.71 5.00 6 -8 7 301.93 18.63 6 -9 -9 21.20 5.88 6 -9 -8 63.83 7.51 6 -9 -7 0.38 3.30 -6 9 7 6.18 3.04 6 -9 -6 63.73 6.95 6 -9 -5 3.01 3.10 6 -9 -4 8.10 3.11 6 -9 -3 44.00 5.35 6 -9 -2 7.38 3.16 -6 9 2 8.76 2.49 6 -9 -1 8.18 3.20 -6 9 1 9.29 2.54 6 -9 0 2.33 2.49 6 -9 1 74.88 6.93 -6 -9 -1 83.73 4.16 6 -9 2 118.40 8.89 -6 -9 -2 124.66 6.59 6 -9 3 1.61 3.20 -6 -9 -3 0.19 2.03 -6 -9 -4 69.39 5.84 6 -9 4 37.73 6.50 -6 -9 -5 -1.10 3.10 6 -9 5 0.94 3.35 6 -9 6 -2.00 4.49 -6 10 9 5.29 3.31 -6 10 8 251.05 13.18 6 -10 -8 251.69 15.41 -6 10 7 56.72 5.76 6 -10 -7 46.24 6.40 6 -10 -6 9.86 3.97 -6 10 6 10.44 3.13 -6 10 5 435.46 18.03 6 -10 -5 403.05 19.71 6 -10 -4 18.57 4.23 6 -10 -3 256.90 13.92 6 -10 -2 461.71 19.95 6 -10 -1 282.58 14.49 6 -10 0 486.42 20.95 6 -10 1 3.04 2.94 -6 -10 -1 5.76 1.54 6 -10 2 523.86 23.85 -6 -10 -2 635.39 20.95 6 -10 3 63.95 6.67 -6 -10 -3 70.46 5.51 -6 -10 -4 26.68 4.17 6 -10 4 16.29 4.68 6 -10 5 246.72 17.06 -6 -10 -5 390.64 16.36 -6 11 8 30.53 4.75 -6 11 7 43.50 5.22 6 -11 -7 38.40 6.02 -6 11 6 159.59 9.45 6 -11 -6 146.05 10.73 6 -11 -5 40.13 5.82 -6 11 5 33.23 4.33 -6 11 4 125.33 7.79 6 -11 -4 104.41 8.90 6 -11 -3 101.15 8.34 6 -11 -2 193.46 11.71 6 -11 -1 366.73 17.42 6 -11 0 97.84 8.03 -6 -11 -1 565.61 18.51 6 -11 1 583.87 24.48 6 -11 2 44.12 5.64 -6 -11 -2 57.67 4.37 6 -11 3 98.15 8.39 -6 -11 -3 115.85 7.18 6 -11 4 98.98 10.18 -6 -11 -4 160.89 9.23 6 -11 5 2.39 3.96 -6 12 8 147.23 9.56 -6 12 7 101.22 7.75 6 -12 -6 5.23 3.36 -6 12 6 3.63 2.87 -6 12 5 62.40 5.75 6 -12 -5 75.71 7.62 6 -12 -4 30.59 5.28 -6 12 4 30.69 4.27 6 -12 -3 4.65 3.37 -6 12 3 3.74 2.00 6 -12 -2 7.69 3.51 6 -12 -1 119.06 9.07 6 -12 0 55.09 6.32 -6 -12 -1 50.58 2.57 6 -12 1 52.39 6.07 6 -12 2 150.89 10.35 6 -12 3 145.30 10.32 6 -12 4 13.84 4.73 -6 13 8 48.71 5.79 -6 13 7 150.01 9.78 -6 13 6 270.26 13.47 -6 13 5 96.64 7.21 -6 13 4 649.29 24.12 6 -13 -4 627.39 27.09 -6 13 3 101.42 6.31 6 -13 -3 103.85 9.05 -6 13 2 148.29 6.85 6 -13 -2 173.00 11.25 6 -13 -1 247.49 14.24 6 -13 0 17.89 4.30 6 -13 1 198.75 12.17 6 -13 2 55.01 6.62 -6 14 6 19.94 4.04 -6 14 5 20.24 3.77 7 0 -7 113.38 8.67 7 0 -6 0.84 2.75 7 0 -5 6.32 2.86 7 0 -4 70.27 6.09 7 0 -3 40.13 4.44 7 0 -2 13.86 2.74 7 0 -2 12.22 2.41 -7 0 1 123.65 5.91 7 0 -1 122.40 6.59 7 0 -1 109.41 6.78 7 0 0 278.92 13.11 -7 0 0 292.02 11.38 7 0 1 79.45 6.85 -7 0 -1 75.68 5.05 7 0 2 72.69 7.19 -7 0 -2 74.99 5.36 7 0 3 112.10 9.48 -7 0 -3 111.95 7.25 -7 0 -4 5.27 2.85 7 0 4 4.46 3.82 7 0 5 15.04 5.05 7 0 6 35.90 6.87 7 0 7 42.56 7.84 7 1 -7 2.38 3.20 7 -1 -6 13.15 3.21 7 1 -6 18.45 4.41 7 -1 -5 5.39 2.53 7 1 -5 6.78 3.03 7 1 -5 6.77 3.31 7 -1 -4 43.55 4.50 7 1 -4 47.47 5.47 7 -1 -4 42.24 4.43 7 -1 -3 67.78 5.32 7 1 -3 73.52 6.22 7 -1 -3 72.41 5.79 7 -1 -2 13.49 3.25 7 -1 -2 9.56 2.32 7 1 -2 12.46 2.94 7 -1 -1 50.28 5.72 -7 1 1 45.76 3.54 -7 -1 1 45.46 3.21 7 1 -1 41.64 4.37 -7 -1 0 -0.47 1.55 -7 1 0 0.14 1.72 7 1 0 0.67 1.85 7 1 0 1.81 1.72 7 -1 0 0.70 3.16 -7 -1 -1 7.40 2.07 -7 1 -1 9.21 2.28 7 -1 1 7.25 4.28 7 1 1 6.76 2.61 7 1 2 68.25 6.24 7 -1 2 75.89 8.45 -7 -1 -2 62.47 4.92 -7 1 -2 61.14 5.06 7 -1 3 6.36 4.36 -7 -1 -3 2.45 2.40 -7 1 -3 2.71 2.46 7 1 3 0.33 2.83 7 -1 4 11.12 5.12 -7 -1 -4 9.20 3.11 7 1 4 13.06 4.36 7 -1 5 3.08 3.76 7 1 5 4.35 3.95 7 1 6 18.92 5.09 7 -1 6 24.74 5.81 7 -1 7 41.81 7.26 7 -1 8 4.82 4.87 7 2 -7 78.88 7.88 7 2 -6 114.47 9.23 7 2 -5 44.27 5.50 7 -2 -5 28.44 3.87 7 2 -5 37.90 5.36 7 -2 -4 3.90 2.41 7 2 -4 2.39 2.90 7 2 -4 5.51 3.30 7 2 -3 100.60 8.00 7 -2 -3 90.38 6.69 7 2 -3 100.29 7.82 7 -2 -2 13.62 3.30 7 2 -2 23.80 4.25 7 -2 -1 5.66 2.85 7 2 -1 4.49 2.65 -7 2 1 4.58 1.87 -7 -2 1 5.93 1.42 7 -2 0 55.43 6.57 7 2 0 64.47 5.84 -7 -2 0 49.19 3.55 -7 2 0 52.09 4.11 7 -2 1 1.50 3.22 -7 -2 -1 3.29 1.66 -7 2 -1 3.70 2.28 -7 -2 -2 15.37 2.72 -7 2 -2 13.06 2.99 7 -2 2 16.32 4.72 7 -2 3 116.41 10.14 -7 -2 -3 111.83 7.13 -7 2 -3 112.63 7.36 7 -2 4 75.96 8.64 -7 -2 -4 77.15 6.24 7 -2 5 25.79 5.86 7 -2 6 -0.51 3.87 7 -2 7 62.85 8.56 7 3 -7 45.89 6.48 7 3 -6 22.13 4.88 7 3 -5 107.47 8.06 7 -3 -5 96.72 7.25 7 3 -4 126.85 8.83 7 -3 -4 123.73 8.12 7 3 -4 137.97 10.15 7 -3 -3 2.22 2.33 7 3 -3 4.73 2.64 7 3 -3 1.37 3.01 7 -3 -2 6.79 2.89 7 3 -2 8.23 3.06 -7 3 2 6.71 1.93 7 3 -2 9.04 3.70 -7 3 1 19.11 2.69 -7 -3 1 17.38 1.81 7 -3 -1 12.52 3.64 7 3 -1 21.32 4.04 -7 3 0 36.30 3.62 7 -3 0 38.47 5.64 7 3 0 50.18 5.49 7 3 0 41.41 4.85 -7 -3 0 35.91 2.91 -7 -3 -1 12.28 2.14 -7 3 -1 8.63 2.51 7 -3 1 2.29 3.31 7 3 1 10.12 2.89 7 -3 2 6.31 3.86 -7 -3 -2 2.99 1.99 -7 3 -2 7.79 2.53 -7 -3 -3 59.93 5.01 7 -3 3 51.15 7.16 7 -3 4 30.77 5.98 -7 -3 -4 35.89 4.37 7 -3 5 46.34 7.19 7 -3 6 104.22 10.53 7 -3 7 -1.06 4.28 7 4 -7 15.32 4.87 7 -4 -6 40.30 5.01 7 4 -6 51.85 6.86 7 4 -5 1.14 3.36 7 -4 -5 1.88 2.55 7 4 -4 34.84 4.78 7 -4 -4 34.95 4.77 7 4 -4 44.71 6.25 7 4 -3 191.96 11.08 7 4 -3 202.02 12.37 -7 4 2 120.97 6.49 7 4 -2 139.13 9.41 7 -4 -2 121.21 8.52 7 4 -2 132.39 9.83 -7 4 1 23.22 2.90 -7 -4 1 24.21 1.80 7 4 -1 29.13 4.50 7 -4 -1 29.74 4.47 7 4 -1 29.42 4.80 -7 4 0 41.29 3.92 7 -4 0 31.67 5.50 7 4 0 45.25 5.17 -7 -4 0 40.14 2.86 7 -4 1 36.09 5.67 7 4 1 35.85 4.33 -7 -4 -1 37.29 3.13 -7 4 -1 35.89 4.10 -7 -4 -2 12.26 2.43 -7 4 -2 15.20 3.10 7 -4 2 14.66 4.44 7 -4 3 18.05 4.91 -7 -4 -3 30.24 3.92 -7 -4 -4 80.46 6.24 7 -4 4 70.18 8.52 7 -4 5 6.53 4.31 7 -4 6 26.24 6.11 7 -4 7 61.37 8.87 7 5 -7 23.93 5.46 7 -5 -6 52.60 6.06 7 5 -6 56.34 7.16 7 5 -5 27.43 5.68 7 -5 -5 23.45 4.13 7 5 -4 18.92 4.92 7 -5 -4 18.89 3.96 7 5 -4 18.98 3.89 7 5 -3 7.53 3.80 7 -5 -3 14.70 3.39 7 5 -3 17.40 3.97 -7 5 2 87.22 5.51 7 5 -2 97.97 7.67 7 -5 -2 82.61 7.04 7 5 -2 91.06 8.14 -7 5 1 58.15 4.58 7 -5 -1 50.94 5.80 7 5 -1 59.22 6.31 -7 5 0 134.60 7.41 7 -5 0 129.12 9.29 7 5 0 140.32 9.17 -7 -5 0 129.49 5.43 7 -5 1 199.84 13.23 -7 -5 -1 211.72 8.57 -7 5 -1 219.07 10.47 7 -5 2 4.33 3.55 -7 -5 -2 7.31 2.09 -7 -5 -3 20.07 3.21 7 -5 3 16.21 4.96 -7 -5 -4 33.27 4.35 7 -5 4 20.55 5.53 7 -5 5 18.83 5.66 7 -5 6 7.01 4.71 7 6 -7 24.96 5.58 7 6 -6 8.99 4.59 7 -6 -6 7.98 3.41 7 6 -5 -0.43 3.98 7 -6 -5 6.25 2.92 7 6 -4 -0.82 3.80 7 -6 -4 1.83 2.47 7 6 -3 1.94 3.42 7 -6 -3 4.51 2.55 7 6 -3 2.63 2.65 -7 6 2 37.37 3.63 7 -6 -2 33.66 4.89 7 6 -2 44.14 5.97 7 6 -1 37.09 5.45 -7 6 1 34.99 3.79 7 -6 -1 27.39 4.71 7 -6 0 2.27 2.80 -7 -6 0 3.56 1.07 -7 6 0 3.08 2.27 7 -6 1 4.51 3.28 -7 -6 -1 2.65 1.40 -7 -6 -2 9.76 2.30 7 -6 2 11.84 4.24 7 -6 3 26.80 5.87 -7 -6 -3 48.99 4.46 7 -6 4 16.09 5.03 -7 -6 -4 15.34 3.51 7 -6 5 1.05 4.09 7 -6 6 0.55 4.02 7 -7 -6 113.61 9.45 7 7 -6 140.36 11.24 7 7 -5 2.60 4.11 7 -7 -5 1.01 2.96 7 7 -4 25.06 5.67 7 -7 -4 23.85 4.48 7 -7 -3 7.93 3.17 7 -7 -2 37.09 5.26 7 -7 -1 13.78 3.69 7 -7 0 8.18 3.55 -7 -7 0 6.06 0.83 7 -7 1 136.22 9.96 -7 -7 -1 142.46 5.97 7 -7 2 91.81 9.56 -7 -7 -2 131.56 6.46 7 -7 3 53.90 7.49 -7 -7 -3 72.75 5.30 7 -7 4 96.69 10.12 -7 -7 -4 111.68 7.53 7 -7 5 3.10 4.33 7 -7 6 26.54 6.45 7 -8 -7 10.12 4.56 7 -8 -6 60.86 7.25 7 -8 -5 130.71 9.91 7 -8 -4 61.73 6.66 7 -8 -3 55.30 6.31 7 -8 -2 72.04 7.03 7 -8 -1 5.47 3.13 7 -8 0 10.72 3.83 7 -8 1 50.21 6.25 7 -8 2 13.56 4.62 7 -8 3 9.98 5.06 7 -8 4 47.84 7.51 7 -8 5 141.10 12.50 7 -9 -7 0.47 3.40 7 -9 -6 5.00 3.82 7 -9 -5 1.53 2.95 7 -9 -4 69.84 7.11 7 -9 -3 82.48 7.81 7 -9 -2 21.66 4.49 7 -9 -1 97.00 8.12 7 -9 0 1.03 2.77 7 -9 1 1.05 3.00 7 -9 2 20.97 5.15 7 -9 3 10.40 4.46 7 -9 4 0.50 3.80 7 -10 -6 1.33 3.47 7 -10 -5 91.91 8.68 7 -10 -4 6.22 3.65 7 -10 -3 47.86 6.19 7 -10 -2 118.14 9.47 7 -10 -1 103.87 8.64 7 -10 0 90.75 8.15 7 -10 1 -1.41 3.05 7 -10 2 138.57 10.32 7 -10 3 3.84 4.07 7 -11 -4 9.65 4.00 7 -11 -3 -0.38 3.07 7 -11 -2 13.21 4.20 7 -11 -1 1.42 3.01 7 -11 0 38.21 5.62 8 0 -5 443.32 20.54 -8 0 -1 22.39 3.15 -8 0 -2 600.34 21.78 8 1 -5 3.40 3.82 8 1 -4 167.32 11.67 8 1 -3 101.43 8.72 -8 1 0 2.45 2.09 -8 1 -1 28.74 3.68 8 2 -5 299.83 17.20 8 2 -4 2.07 4.15 8 2 -3 389.76 19.57 8 2 -2 67.55 7.31 -8 2 1 23.96 3.20 8 2 -1 22.15 4.83 -8 2 0 395.48 15.15 -8 2 -1 6.48 2.77 8 3 -5 101.64 9.95 8 3 -4 715.47 30.59 8 3 -3 78.57 8.53 8 3 -2 242.64 14.63 -8 3 1 391.34 14.95 -8 3 0 3.92 2.40 8 4 -5 3.16 4.39 8 4 -4 10.58 5.34 8 4 -3 116.93 10.63 -8 4 1 5.62 2.54 8 5 -5 9.02 5.31 8 5 -4 365.66 20.06 8 5 -3 123.84 10.86 8 -5 -2 342.69 17.31 8 6 -5 195.30 14.14 8 6 -4 9.71 4.82 8 -6 -2 206.72 12.95 8 -6 -1 127.77 9.91 8 -7 -2 53.10 6.60 8 -7 -1 32.58 5.65 8 -8 -3 355.80 18.30 8 -8 -2 312.72 16.84 8 -8 -1 38.07 5.94 8 -8 0 243.57 14.55 8 -9 -3 5.08 3.98 8 -9 -2 -1.16 3.30 0 0 0 0.00 0.00 TITL SC_11_153K_auto abs in P2/m REM P2/m (#10 in standard setting) CELL 0.71073 6.336594 16.161312 10.182133 90.0000 93.5788 90.0000 ZERR 2.00 0.000266 0.000673 0.000413 0.0000 0.0037 0.0000 LATT 1 SYMM -x, y,-z SFAC C H N O I Pb UNIT 16.00 32.00 4.00 8.00 24.00 8.00 REM CrysAlisPro recorded range (K): Min=152.9; max=153.0; aver:153.0 TEMP -120 SIZE 0.06 0.12 0.39 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 3354 _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 1.986 _oxdiff_exptl_absorpt_empirical_full_min 0.580 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' '-x, -y, -z' 'x, -y-1/2, z' 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 Pb1 Pb -0.49479(4) 0.55427(2) 0.20101(3) 0.01580(11) Uani 1 1 d . . . . . I1 I -0.47674(12) 0.750000 0.29555(8) 0.02168(17) Uani 1 2 d S T P . . I2 I 0.00338(7) 0.56509(4) 0.20365(6) 0.02606(16) Uani 1 1 d . . . . . I3 I -0.47528(8) 0.37359(3) 0.09573(5) 0.02077(14) Uani 1 1 d . . . . . I4 I -0.500000 0.500000 0.500000 0.02826(19) Uani 1 2 d S . P . . O1 O -0.0618(17) 0.750000 0.7328(9) 0.032(2) Uani 1 2 d S T P . . N2 N 0.0452(17) 0.750000 0.4707(11) 0.046(4) Uani 1 2 d S T P . . H2A H -0.081493 0.750000 0.423415 0.055 Uiso 1 2 calc R U P . . H2B H 0.149161 0.750000 0.412913 0.055 Uiso 1 2 calc R U P . . C1 C 0.063(3) 0.6741(10) 0.5526(12) 0.068(5) Uani 1 1 d . . . . . H1A H 0.207802 0.669495 0.594491 0.082 Uiso 1 1 calc R U . . . H1B H 0.035200 0.624645 0.496808 0.082 Uiso 1 1 calc R U . . . C2 C -0.094(2) 0.6783(7) 0.6559(11) 0.048(3) Uani 1 1 d . . . . . H2C H -0.238678 0.678705 0.613692 0.057 Uiso 1 1 calc R U . . . H2D H -0.078998 0.628821 0.713021 0.057 Uiso 1 1 calc R U . . . N1 N -0.015(2) 0.750000 1.0013(12) 0.039(3) Uani 1 2 d DS T P . . H1C H 0.048(7) 0.7951(4) 1.036(5) 0.06(4) Uiso 1 1 d D . . . . H1D H -0.152(5) 0.750000 1.019(11) 0.11(10) Uiso 1 2 d DS . P . . H1E H -0.006(18) 0.750000 0.9142(18) 0.08(7) Uiso 1 2 d DS . P . . 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 Pb1 0.01132(17) 0.01574(16) 0.02044(17) 0.00033(10) 0.00186(11) -0.00032(10) I1 0.0204(4) 0.0135(3) 0.0313(4) 0.000 0.0030(3) 0.000 I2 0.0098(3) 0.0307(3) 0.0378(4) 0.0046(2) 0.0020(2) 0.0000(2) I3 0.0265(3) 0.0137(2) 0.0221(3) 0.00034(18) 0.00194(19) 0.00017(19) I4 0.0338(4) 0.0320(4) 0.0189(4) 0.0047(3) 0.0012(3) 0.0037(3) O1 0.054(6) 0.019(4) 0.022(4) 0.000 0.001(4) 0.000 N2 0.014(5) 0.100(12) 0.024(6) 0.000 0.009(4) 0.000 C1 0.093(11) 0.072(10) 0.038(6) -0.013(6) -0.002(6) 0.053(9) C2 0.086(9) 0.022(5) 0.035(5) -0.003(4) -0.004(5) -0.015(5) N1 0.060(9) 0.031(6) 0.025(6) 0.000 -0.002(5) 0.000 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' Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -1 -23 0 0.0565 -5 -19 4 0.0598 -8 -1 8 0.0605 -4 18 6 0.0504 0 23 1 0.0466 8 -2 -8 0.2267 0 -23 -1 0.0568 -4 9 -11 0.0345 0 -8 13 0.0450 0 8 -13 0.0163 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 I2 Pb1 I1 85.879(18) . . ? I2 Pb1 I1 87.787(18) 1_455 . ? I2 Pb1 I2 173.60(3) . 1_455 ? I2 Pb1 I3 89.329(16) . 3_465 ? I2 Pb1 I3 89.298(15) 1_455 3_465 ? I2 Pb1 I4 94.440(13) . . ? I3 Pb1 I1 85.755(17) 3_465 . ? I3 Pb1 I1 174.506(18) . . ? I3 Pb1 I2 96.629(17) . 1_455 ? I3 Pb1 I2 89.643(17) . . ? I3 Pb1 I3 91.017(15) . 3_465 ? I3 Pb1 I4 94.252(12) . . ? I4 Pb1 I1 89.273(15) . . ? I4 Pb1 I2 86.379(12) . 1_455 ? I4 Pb1 I3 173.535(13) . 3_465 ? Pb1 I1 Pb1 146.16(3) . 4_575 ? Pb1 I2 Pb1 173.60(3) . 1_655 ? Pb1 I3 Pb1 88.982(15) . 3_465 ? Pb1 I4 Pb1 180.0 3_466 . ? C2 O1 C2 111.0(11) . 4_575 ? H2A N2 H2B 108.0 . . ? C1 N2 H2A 109.3 4_575 . ? C1 N2 H2A 109.3 . . ? C1 N2 H2B 109.3 . . ? C1 N2 H2B 109.3 4_575 . ? C1 N2 C1 111.5(12) . 4_575 ? N2 C1 H1A 109.9 . . ? N2 C1 H1B 109.9 . . ? N2 C1 C2 109.1(10) . . ? H1A C1 H1B 108.3 . . ? C2 C1 H1A 109.9 . . ? C2 C1 H1B 109.9 . . ? O1 C2 C1 110.6(11) . . ? O1 C2 H2C 109.5 . . ? O1 C2 H2D 109.5 . . ? C1 C2 H2C 109.5 . . ? C1 C2 H2D 109.5 . . ? H2C C2 H2D 108.1 . . ? H1C N1 H1C 109.5(15) . 4_575 ? H1C N1 H1D 109.6(9) . . ? H1C N1 H1E 109.4(9) . . ? H1D N1 H1C 109.6(9) . 4_575 ? H1D N1 H1E 109.5(15) . . ? H1E N1 H1C 109.4(9) . 4_575 ? 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 Pb1 I1 3.3065(4) . ? Pb1 I2 3.1600(5) . ? Pb1 I2 3.1865(5) 1_455 ? Pb1 I3 3.2331(6) 3_465 ? Pb1 I3 3.1157(6) . ? Pb1 I4 3.1703(3) . ? O1 C2 1.405(11) 4_575 ? O1 C2 1.405(11) . ? N2 H2A 0.9100 . ? N2 H2B 0.9100 . ? N2 C1 1.484(16) . ? N2 C1 1.484(16) 4_575 ? C1 H1A 0.9900 . ? C1 H1B 0.9900 . ? C1 C2 1.492(19) . ? C2 H2C 0.9900 . ? C2 H2D 0.9900 . ? N1 H1C 0.893(2) 4_575 ? N1 H1C 0.893(2) . ? N1 H1D 0.893(2) . ? N1 H1E 0.893(2) . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N2 C1 C2 O1 -57.1(14) . . . . ? C1 N2 C1 C2 53.4(19) 4_575 . . . ? C2 O1 C2 C1 62.6(17) 4_575 . . . ? loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z -1.0654 -22.6134 -0.0405 -0.1291 -0.9791 0.1570 -4.5836 -18.7460 3.9555 -0.1029 -0.7823 0.6144 -7.6343 -1.1917 8.1671 0.0017 0.0086 1.0000 -4.2912 18.2162 5.5837 0.1098 0.8296 0.5474 -0.0679 22.6876 1.2660 0.1308 0.9914 -0.0088 7.5648 -2.0813 -8.2643 -0.0205 -0.1510 -0.9883 0.0679 -22.6876 -1.2660 -0.1308 -0.9914 0.0088 -3.9553 8.6250 -11.2561 -0.9007 0.4299 -0.0633 -0.0090 -8.0791 13.4044 0.7795 -0.3716 0.5042 0.0424 8.0925 -13.4044 -0.7774 0.3719 -0.5073