#------------------------------------------------------------------------------ #$Date: 2020-10-06 11:54:57 +0300 (Tue, 06 Oct 2020) $ #$Revision: 257545 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/52/7705257.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_7705257 loop_ _publ_author_name 'Onn, Chee S.' 'Hill, Anthony F.' 'Olding, Angus' _publ_section_title ; Metal coordination of phosphoniocarbynes. ; _journal_issue 36 _journal_name_full 'Dalton transactions (Cambridge, England : 2003)' _journal_page_first 12731 _journal_page_last 12741 _journal_paper_doi 10.1039/d0dt02737e _journal_volume 49 _journal_year 2020 _chemical_formula_moiety 'C36 H51 B N8 O2 P Pt W, F6 P' _chemical_formula_sum 'C36 H51 B F6 N8 O2 P2 Pt W' _chemical_formula_weight 1193.53 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens mixed _audit_creation_date 2020-07-26 _audit_creation_method ; Olex2 1.3 (compiled 2020.07.16 svn.r6f6c53a7 for OlexSys, GUI svn.r6139) ; _audit_update_record ; 2020-08-05 deposited with the CCDC. 2020-08-24 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 97.914(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 14.6038(3) _cell_length_b 14.0280(3) _cell_length_c 23.5934(5) _cell_measurement_reflns_used 9037 _cell_measurement_temperature 150.00(10) _cell_measurement_theta_max 28.9560 _cell_measurement_theta_min 3.8410 _cell_volume 4787.36(18) _computing_cell_refinement 'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)' _computing_data_collection 'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)' _computing_data_reduction 'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_temperature 150.00(10) _diffrn_detector_area_resol_mean 8.1297 _diffrn_detector_type EosS2 _diffrn_measured_fraction_theta_full 0.995 _diffrn_measured_fraction_theta_max 0.838 _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 -52.00 32.00 1.00 11.07 -- 15.42 -57.00-150.00 84 2 \w 39.00 71.00 1.00 11.07 -- 15.42 178.00-180.00 32 3 \w -6.00 83.00 1.00 11.07 -- 15.42 19.00 0.00 89 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, EosS2' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0270 _diffrn_reflns_av_unetI/netI 0.0460 _diffrn_reflns_Laue_measured_fraction_full 0.995 _diffrn_reflns_Laue_measured_fraction_max 0.838 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_number 21286 _diffrn_reflns_point_group_measured_fraction_full 0.995 _diffrn_reflns_point_group_measured_fraction_max 0.838 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.280 _diffrn_reflns_theta_min 3.293 _exptl_absorpt_coefficient_mu 5.448 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.68657 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear light yellow' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 1.656 _exptl_crystal_description plate _exptl_crystal_F_000 2320 _exptl_crystal_size_max 0.363 _exptl_crystal_size_mid 0.159 _exptl_crystal_size_min 0.112 _refine_diff_density_max 1.120 _refine_diff_density_min -0.696 _refine_diff_density_rms 0.126 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.020 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 532 _refine_ls_number_reflns 10954 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.020 _refine_ls_R_factor_all 0.0413 _refine_ls_R_factor_gt 0.0301 _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^)+(0.0185P)^2^+5.7595P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0581 _refine_ls_wR_factor_ref 0.0621 _reflns_Friedel_coverage 0.000 _reflns_number_gt 9116 _reflns_number_total 10954 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0dt02737e2.cif _cod_data_source_block Compound_7 _cod_depositor_comments 'Adding full bibliography for 7705254--7705258.cif.' _cod_database_code 7705257 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2.a Aromatic/amide H refined with riding coordinates: C6(H6), C26(H26), C11(H11), C22(H22), C16(H16), C23(H23), C24(H24), C25(H25) 2.b Idealised Me refined as rotating group: C19(H19A,H19B,H19C), C9(H9A,H9B,H9C), C8(H8A,H8B,H8C), C4(H4A,H4B,H4C), C20(H20A,H20B,H20C), C14(H14A,H14B,H14C), C18(H18A,H18B,H18C), C34(H34A,H34B, H34C), C13(H13A,H13B,H13C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C31(H31A, H31B,H31C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C) ; _smtbx_masks_special_details ; A solvent mask was calculated and 124 electrons were found in a volume of 622 Ang^3^ in 1 void per unit cell. This is consistent with the presence of 1[CH3CH2OH] per Asymmetric Unit which account for 104 electrons per unit cell. ; _smtbx_masks_void_probe_radius 1.2 _smtbx_masks_void_truncation_radius 1.2 _shelx_fab_file ; -18 0 2 10.9627 -5.4951 -18 0 4 2.8984 -6.8065 -18 0 6 1.7465 -1.8473 -18 0 8 -0.3725 3.9501 -18 1 1 -9.6042 0.2543 -18 1 2 3.1903 3.1370 -18 1 3 -4.2010 2.8576 -18 1 4 1.9720 -1.5686 -18 1 5 -0.3471 2.6751 -18 1 6 1.7113 -3.7326 -18 1 7 -1.0514 -0.4369 -18 1 8 3.2788 -2.2886 -18 2 1 -3.0865 -0.6831 -18 2 2 3.4960 2.5824 -18 2 3 -4.0691 1.7979 -18 2 4 1.0055 1.2358 -18 2 5 -0.1219 2.0741 -18 2 6 -1.5896 0.1700 -18 2 7 -2.6424 0.1493 -18 2 8 -1.6718 -0.6266 -18 3 1 1.7559 -4.0130 -18 3 2 2.2112 -0.6569 -18 3 3 -1.5089 -1.6038 -18 3 4 1.4910 -0.6342 -18 3 5 2.7013 1.4491 -18 3 6 1.2356 0.0115 -18 3 7 5.1091 2.8350 -18 3 8 3.0814 -0.0476 -18 4 1 1.7129 -1.7064 -18 4 2 -1.5854 0.5181 -18 4 3 -0.5971 -2.0258 -18 4 4 -0.6890 1.8216 -18 4 5 0.8677 -0.9925 -18 4 6 -4.3721 0.9517 -18 4 7 1.7936 0.6018 -18 5 1 1.5464 3.2640 -18 5 2 -0.9990 -1.0864 -18 5 3 -2.3558 0.1028 -18 5 4 -1.1481 -0.7948 -18 5 5 -0.0892 -2.1265 -18 5 6 -3.4219 1.7641 -18 6 1 0.8392 0.0497 -18 6 2 1.1767 -3.3248 -18 6 3 -0.5016 1.9393 -18 6 4 3.2380 -2.0397 -18 6 5 0.1734 1.1309 -18 7 1 1.7398 1.8892 -18 7 2 -0.1523 -0.2038 -18 7 3 -2.0635 1.8380 -18 8 1 0.1033 -2.2731 -18 8 2 -0.4286 -0.0156 -17 0 2 8.1084 -3.7729 -17 0 4 -1.9479 -2.0180 -17 0 6 -1.3101 5.5704 -17 0 8 0.5986 6.6798 -17 0 10 -0.7345 2.0895 -17 0 12 2.3591 -2.6724 -17 0 14 3.5173 -5.5795 -17 1 1 -8.4403 -1.6161 -17 1 2 1.3845 0.9227 -17 1 3 -0.8701 3.0033 -17 1 4 0.8458 -1.7718 -17 1 5 3.9635 -0.4453 -17 1 6 0.1074 -0.9372 -17 1 7 0.3323 -4.1400 -17 1 8 1.5176 2.4775 -17 1 9 -0.8303 -3.0438 -17 1 10 -0.3248 3.9827 -17 1 11 -1.8476 -0.2566 -17 1 12 -1.3738 2.8023 -17 1 13 -3.5473 2.2015 -17 1 14 -0.8114 -0.8713 -17 2 1 -0.9449 -1.6584 -17 2 2 2.4955 -0.2387 -17 2 3 -2.6691 0.9330 -17 2 4 -1.4024 -1.1579 -17 2 5 1.4925 1.5472 -17 2 6 -3.4568 0.4231 -17 2 7 0.6839 -1.0361 -17 2 8 -1.8525 0.5557 -17 2 9 -0.5884 -3.1117 -17 2 10 -0.3605 0.5776 -17 2 11 0.1382 -2.2093 -17 2 12 1.0621 0.5646 -17 2 13 -0.7000 0.1813 -17 2 14 2.0236 0.1227 -17 3 1 1.2131 -3.6698 -17 3 2 1.0624 0.1570 -17 3 3 -1.2541 0.0233 -17 3 4 1.2065 -0.1923 -17 3 5 3.1699 2.8720 -17 3 6 0.0493 0.0530 -17 3 7 6.3307 3.7173 -17 3 8 1.1219 0.0092 -17 3 9 3.7757 1.4928 -17 3 10 0.5437 -0.2679 -17 3 11 0.7278 -1.7937 -17 3 12 0.2861 -0.3373 -17 3 13 -1.6281 -2.0565 -17 4 1 1.3312 -1.0190 -17 4 2 -1.0362 0.3076 -17 4 3 -2.6424 -2.2469 -17 4 4 -0.3464 0.1283 -17 4 5 -1.4116 -1.7468 -17 4 6 -4.4670 -0.5622 -17 4 7 1.0747 0.4728 -17 4 8 -3.6539 -1.3432 -17 4 9 1.3989 2.1716 -17 4 10 -0.5054 -0.6586 -17 4 11 0.5884 1.2732 -17 4 12 1.3369 0.8494 -17 5 1 1.5798 1.6194 -17 5 2 0.8653 -0.7757 -17 5 3 -2.6365 -0.4385 -17 5 4 1.4911 -0.2624 -17 5 5 -2.3367 -1.4422 -17 5 6 -1.9506 1.0757 -17 5 7 0.9283 -0.8783 -17 5 8 -2.6566 1.0633 -17 5 9 0.1324 0.5041 -17 5 10 -0.8387 -0.2667 -17 5 11 -0.1355 0.7696 -17 6 1 1.2175 0.6859 -17 6 2 -0.2207 -1.0444 -17 6 3 -0.4793 1.0041 -17 6 4 4.7859 -0.4756 -17 6 5 -0.0086 0.1051 -17 6 6 2.1023 0.0275 -17 6 7 2.2925 -1.1991 -17 6 8 0.4511 1.2722 -17 6 9 1.5795 -1.4549 -17 6 10 2.0630 1.2969 -17 7 1 3.7298 1.3239 -17 7 2 -1.1924 -0.4988 -17 7 3 -0.8430 1.1607 -17 7 4 -0.6751 -1.6482 -17 7 5 -3.3657 0.9760 -17 7 6 -0.0189 -1.4875 -17 7 7 -0.0602 0.2012 -17 7 8 -1.8537 0.1322 -17 8 1 -0.6452 -1.0539 -17 8 2 -2.2775 -0.4087 -17 8 3 2.0471 0.2561 -17 8 4 -0.2774 -1.2791 -17 8 5 -2.8294 1.3423 -17 8 6 -1.0654 -2.3611 -17 8 7 -2.9147 2.1934 -17 9 1 1.3151 0.6943 -17 9 2 0.3276 1.7692 -17 9 3 3.0709 0.5414 -17 9 4 2.0175 0.7293 -17 9 5 1.0913 0.5255 -17 9 6 5.4288 -0.9866 -17 9 7 0.6209 1.7535 -17 9 8 1.2900 -3.1039 -17 10 3 0.3182 -0.4571 -17 10 5 -2.0829 -0.5776 -17 10 6 3.1771 0.1882 -16 0 2 1.5613 2.7900 -16 0 4 -7.9172 5.5919 -16 0 6 -4.6715 7.0689 -16 0 8 1.0276 1.7551 -16 0 10 0.3308 -4.7988 -16 0 12 0.4196 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1.4880 -0.3645 -16 3 5 2.4196 2.5633 -16 3 6 -0.2532 -0.3973 -16 3 7 4.6094 1.5881 -16 3 8 -0.8769 -0.1085 -16 3 9 1.7919 -0.7999 -16 3 10 -0.0340 -0.1465 -16 3 11 -0.9799 -2.7174 -16 3 12 2.3148 -0.2401 -16 3 13 -1.1392 -1.5027 -16 3 14 0.3802 0.0362 -16 3 15 -1.2401 0.5407 -16 3 16 -4.5797 0.3626 -16 3 17 -2.4787 1.3261 -16 3 18 -2.8997 -0.3884 -16 4 1 0.6810 -1.3263 -16 4 2 1.2252 -0.0888 -16 4 3 -3.6714 -1.9308 -16 4 4 -0.1608 -1.2586 -16 4 5 -3.6705 -0.9614 -16 4 6 -3.8162 -0.8574 -16 4 7 -0.0929 0.8893 -16 4 8 -3.1285 0.2835 -16 4 9 1.4599 1.7462 -16 4 10 -0.3917 1.2822 -16 4 11 -0.6947 0.0803 -16 4 12 1.2515 1.6671 -16 4 13 -2.7058 -2.0950 -16 4 14 2.4439 0.8389 -16 4 15 -0.2683 -2.3357 -16 4 16 2.4526 0.1067 -16 4 17 1.5786 -0.3287 -16 5 1 0.6568 -1.0094 -16 5 2 1.8016 0.7353 -16 5 3 -1.1378 -1.2509 -16 5 4 3.7463 0.4777 -16 5 5 -1.4532 -0.6240 -16 5 6 0.2025 0.0759 -16 5 7 0.3833 -0.3365 -16 5 8 -2.3350 -0.3832 -16 5 9 1.1152 0.7328 -16 5 10 -0.8190 -0.6286 -16 5 11 1.8381 0.8497 -16 5 12 0.3856 -0.1683 -16 5 13 0.7334 -0.2842 -16 5 14 0.8285 0.7535 -16 5 15 -1.2861 -0.8576 -16 5 16 1.1405 1.8074 -16 5 17 -1.6184 -1.1610 -16 6 1 1.4556 0.7245 -16 6 2 -1.7458 1.4019 -16 6 3 -0.4904 -0.3976 -16 6 4 2.7859 0.9230 -16 6 5 -0.9085 -1.1840 -16 6 6 3.3862 0.4378 -16 6 7 2.0501 -1.0864 -16 6 8 0.6180 0.1559 -16 6 9 2.5026 -0.2476 -16 6 10 -0.7926 -0.4664 -16 6 11 2.0231 0.7935 -16 6 12 -1.5505 -0.5288 -16 6 13 2.9048 1.6374 -16 6 14 -1.4527 -1.4392 -16 6 15 0.5306 0.7627 -16 6 16 -1.1914 -0.6662 -16 7 1 3.4963 0.6523 -16 7 2 -1.8187 -0.8302 -16 7 3 1.3674 0.1936 -16 7 4 -1.5768 -0.1873 -16 7 5 -5.1193 -0.4248 -16 7 6 -0.1466 0.2154 -16 7 7 -4.4869 -0.7296 -16 7 8 -2.7535 0.3475 -16 7 9 -1.0437 -0.2167 -16 7 10 -2.6999 1.0258 -16 7 11 0.9018 -0.6332 -16 7 12 -2.9236 0.9607 -16 7 14 -2.2939 -1.6352 -16 8 1 -1.2612 0.5241 -16 8 2 -2.9388 -0.5339 -16 8 3 3.9030 0.7924 -16 8 4 0.3185 -0.5316 -16 8 5 -1.4453 0.3751 -16 8 6 3.9351 -0.3677 -16 8 7 -2.9643 0.4129 -16 8 8 1.3313 -0.9323 -16 8 9 -0.3436 0.6405 -16 8 10 -0.4498 -0.7482 -16 8 11 -0.9486 -0.6746 -16 9 1 0.6239 0.9727 -16 9 2 0.5311 0.2300 -16 9 3 3.7149 1.0339 -16 9 4 1.4087 0.0708 -16 9 5 0.4968 0.3403 -16 9 6 6.1135 -0.2915 -16 9 7 -1.2420 0.0171 -16 9 8 2.7841 -1.3407 -16 9 9 0.5804 1.2891 -16 10 1 -3.8714 0.7009 -16 10 2 -0.9601 -1.1793 -16 10 3 -1.0522 0.3268 -16 10 4 -0.9700 -0.2181 -16 10 5 -2.8142 0.1397 -16 10 6 1.9025 0.2730 -16 10 7 -2.9046 -0.2086 -16 11 1 -1.0549 1.4637 -16 11 2 1.2287 -0.9853 -16 11 3 -1.4656 1.3374 -16 11 4 0.2168 -0.4715 -16 11 5 -2.1494 0.9063 -15 0 2 -2.9564 6.4027 -15 0 4 -8.8926 7.1895 -15 0 6 -4.4553 0.0818 -15 0 8 2.3768 -6.0740 -15 0 10 2.6636 -6.7346 -15 0 12 0.1594 -2.7938 -15 0 14 -1.5981 3.1471 -15 0 16 -4.1712 5.9194 -15 0 18 -6.4718 3.8692 -15 0 20 -3.4837 -0.9587 -15 1 1 -0.7259 -0.1123 -15 1 2 0.8167 -2.2680 -15 1 3 5.9856 -4.2238 -15 1 4 1.0294 2.9324 -15 1 5 8.7397 -2.8423 -15 1 6 0.0269 4.3238 -15 1 7 2.1781 1.8040 -15 1 8 0.0655 1.5636 -15 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-3.8443 0.9788 14 9 7 0.0225 0.3964 14 9 8 -1.6739 0.8602 14 10 0 -1.6971 -0.8685 14 10 1 -2.6511 -0.0805 14 10 2 -2.9925 -0.6019 14 10 3 -2.4790 0.7052 14 10 4 -0.8850 0.1043 14 10 5 2.1632 0.2341 14 10 6 -1.1321 -0.2504 14 11 0 1.7335 1.0442 14 11 1 4.9144 -0.0360 14 11 2 3.9975 -0.4364 14 11 3 1.7065 -0.9502 14 11 4 0.6839 -0.7465 14 11 5 -0.4151 -0.3491 14 11 6 -0.1208 -0.2760 14 12 0 -2.9937 -0.0944 14 12 1 -2.5870 0.5995 14 12 2 -1.8888 1.0047 14 12 3 -0.9449 1.0145 14 12 4 2.0479 1.1907 14 12 5 -0.1670 0.4352 15 0 0 -0.9770 -1.1195 15 0 2 -4.4757 -2.3667 15 0 6 -1.5444 -5.2233 15 0 8 -1.3488 1.2434 15 0 10 0.2618 5.4742 15 0 12 -3.2773 6.0973 15 1 0 -0.2309 2.2372 15 1 1 1.2213 0.7574 15 1 2 -2.2755 3.8812 15 1 3 2.7624 3.5613 15 1 4 -2.1870 2.2194 15 1 6 0.3194 -2.3357 15 1 7 3.3826 -0.0567 15 1 8 2.1720 -5.0635 15 1 9 -0.8539 -3.2762 15 1 10 4.6228 -3.4487 15 1 11 -2.2960 -3.4471 15 1 12 3.2710 0.2602 15 1 13 2.4199 -2.6096 15 1 14 0.7812 4.0294 15 2 0 0.3886 -0.7650 15 2 1 1.3627 -1.2551 15 2 2 -1.8552 0.5014 15 2 3 1.2950 -1.8966 15 2 4 -0.0848 -0.3027 15 2 5 -0.8962 -0.1467 15 2 6 -1.8084 0.7497 15 2 7 0.7191 2.6094 15 2 8 -2.3969 1.7340 15 2 9 -0.4304 2.4416 15 2 10 3.5604 0.9154 15 2 11 -6.2019 0.4731 15 2 12 3.5037 0.0507 15 2 13 -5.9060 -0.9607 15 2 14 -2.9832 -0.7850 15 2 15 -4.8196 -2.3397 15 2 16 -5.3065 -1.4696 15 3 0 -0.8756 -0.0629 15 3 1 2.4779 -0.8041 15 3 2 -2.8475 -0.2787 15 3 3 1.4292 -1.4035 15 3 4 0.0307 0.4104 15 3 5 -2.3898 -1.5473 15 3 6 1.4284 0.0370 15 3 7 0.6999 -0.9500 15 3 8 -2.4689 -0.3392 15 3 9 2.2471 0.9475 15 3 10 0.3062 0.4543 15 3 11 -0.9292 1.8957 15 3 12 4.9396 0.4840 15 3 13 0.5093 1.8594 15 3 14 4.8828 -0.1249 15 3 15 3.7042 1.8716 15 3 16 4.4155 0.0512 15 3 17 1.2994 1.1091 15 4 0 0.9657 -0.9042 15 4 1 1.2307 1.9287 15 4 2 -3.2926 0.3593 15 4 3 1.9228 1.4686 15 4 4 -1.6877 1.1946 15 4 5 -1.5531 -0.4438 15 4 6 0.5502 0.9468 15 4 7 -0.4039 -1.5711 15 4 8 -1.2708 -0.5046 15 4 9 2.6943 -1.7328 15 4 10 -1.1923 -1.5338 15 4 11 1.9285 -1.1638 15 4 12 -0.4807 -1.2051 15 4 13 1.3259 0.4111 15 4 14 -2.8344 -0.9971 15 4 15 0.5226 1.5108 15 5 0 0.3346 -1.7369 15 5 1 1.2255 0.7755 15 5 2 0.2604 -2.4898 15 5 3 4.0736 0.8433 15 5 4 0.7206 -1.0832 15 5 5 1.9179 0.4404 15 5 6 -0.2540 0.7345 15 5 7 -2.5321 0.0594 15 5 8 -2.7411 1.1048 15 5 9 -3.5596 -0.2060 15 5 10 -4.0477 0.6168 15 5 11 -1.4848 -0.8206 15 5 12 -4.3359 -0.1355 15 5 13 1.9163 -1.2775 15 5 14 -3.3820 -1.0813 15 6 0 1.0716 0.3861 15 6 1 -1.6754 -0.4926 15 6 2 0.1968 -0.6937 15 6 3 -2.5209 0.0196 15 6 4 -2.3648 -0.5999 15 6 5 1.2008 0.0112 15 6 6 1.5344 0.1562 15 6 7 3.3133 0.2888 15 6 8 6.8343 0.8145 15 6 9 0.3304 1.1364 15 6 10 4.8152 1.3832 15 6 11 0.2020 1.5672 15 6 12 -0.7038 1.6007 15 7 0 -1.0680 0.8838 15 7 1 -2.7091 0.5786 15 7 2 2.5019 0.7697 15 7 3 -0.2792 0.6080 15 7 4 2.3777 0.5555 15 7 5 1.3523 0.0079 15 7 6 -3.4736 0.3586 15 7 7 -2.6784 -0.5550 15 7 8 -0.2505 -0.5672 15 7 9 -4.8768 -0.9678 15 7 10 4.0516 -1.6406 15 8 0 1.7062 -0.1539 15 8 1 2.3225 -0.7861 15 8 2 0.1195 -0.9874 15 8 3 -2.3387 -0.9532 15 8 4 -2.8175 -1.2736 15 8 5 1.7333 -0.9514 15 8 6 -1.7212 -0.8314 15 8 7 3.4135 -0.7014 15 9 0 -3.4958 0.7160 15 9 1 -0.7017 0.7171 15 9 2 0.5282 1.1613 15 9 3 2.3798 0.8591 15 9 4 0.1410 1.0369 15 9 5 2.2843 0.7408 15 10 0 -0.8148 -0.7065 15 10 1 0.6776 -0.6581 15 10 2 -2.6988 0.1031 15 10 3 -1.7862 0.0375 15 10 4 -0.4661 0.1504 15 10 5 1.3408 -0.0975 15 11 0 0.1688 0.8030 15 11 1 3.8779 -0.7544 15 11 2 2.7893 -0.3203 15 11 3 1.7420 -2.0031 15 11 4 0.9997 -0.3269 15 11 5 -1.7854 -0.3849 16 0 0 3.8535 -4.7983 16 0 2 -2.8367 -6.7861 16 0 6 2.7303 2.3719 16 0 8 2.0558 6.1328 16 0 10 1.4229 4.9485 16 1 0 1.9632 5.4681 16 1 1 -1.6497 2.4051 16 1 2 0.2480 1.7257 16 1 3 0.9306 2.9512 16 1 5 -0.1907 0.1358 16 1 6 -0.3063 -4.9826 16 1 7 1.2387 -3.0642 16 1 8 2.9844 -3.2623 16 1 9 -0.8087 -3.4103 16 1 10 5.9140 0.8658 16 1 11 -2.6624 -1.5636 16 1 12 3.8351 3.9346 16 2 0 1.4044 0.8067 16 2 1 -1.4785 -2.3221 16 2 2 -0.0459 0.9540 16 2 3 -0.2029 -0.0272 16 2 4 0.7624 1.0820 16 2 5 -0.6357 2.6735 16 2 6 -2.4124 1.2923 16 2 7 0.2058 3.6297 16 2 8 -3.4780 0.1087 16 2 9 -1.1718 1.4132 16 2 10 1.6634 -0.6988 16 2 11 -5.3496 -1.4920 16 2 12 3.2104 -0.1065 16 2 13 -4.0118 -2.0792 16 2 14 -1.0522 -0.3289 16 3 0 1.3126 -0.4572 16 3 1 1.9637 -2.1797 16 3 2 -0.8281 0.4139 16 3 3 0.3605 -1.6330 16 3 4 -0.6250 0.5261 16 3 5 -0.4792 -0.5981 16 3 6 0.1816 -0.3241 16 3 7 1.8143 1.4213 16 3 8 -2.0885 -0.6633 16 3 9 2.0008 3.3560 16 3 10 0.6246 0.0199 16 3 11 0.4758 1.9860 16 3 12 3.6887 0.4701 16 3 13 1.4068 0.2509 16 3 14 2.5980 0.0217 16 4 0 -0.2259 -1.0651 16 4 1 -0.9563 1.0515 16 4 2 -0.4922 0.0964 16 4 3 1.5145 -0.8404 16 4 4 -1.2317 0.4113 16 4 5 0.4728 -1.7879 16 4 6 -1.3862 -0.3247 16 4 7 0.0996 -1.9216 16 4 8 -0.5528 -1.8196 16 4 9 0.1104 -0.9192 16 4 10 -0.8353 -1.8192 16 4 11 -0.8337 0.0606 16 4 12 -1.2480 -0.0494 16 4 13 0.0762 0.3778 16 5 0 2.0576 -1.5200 16 5 1 -0.6816 1.0940 16 5 2 2.5975 -1.0268 16 5 3 0.9165 0.5624 16 5 4 0.6391 0.0472 16 5 5 3.1267 0.5208 16 5 6 -0.8422 1.2288 16 5 7 -1.6559 -0.0257 16 5 8 -0.2928 0.8471 16 5 9 -4.6048 -0.7245 16 5 10 -0.4986 -0.6695 16 5 11 -1.7254 -1.3433 16 6 0 -0.0330 -0.1348 16 6 1 -3.8897 -0.4700 16 6 2 2.7613 -0.1165 16 6 3 -3.8576 0.1747 16 6 4 -1.5344 -0.1674 16 6 5 2.3559 0.5711 16 6 6 -0.0082 0.5583 16 6 7 3.9038 0.8266 16 6 8 7.2911 2.1568 16 7 0 -1.1326 0.9749 16 7 1 -1.8723 0.4104 16 7 2 2.3426 0.1641 16 7 3 -1.5291 0.1526 16 7 4 0.8068 -0.8853 16 7 5 1.7742 0.2191 16 7 6 -6.1608 -1.0126 16 8 0 -0.2933 0.2670 16 8 1 3.6770 -1.4276 16 8 2 0.3004 -0.0675 16 9 0 -5.0185 1.1689 16 10 0 0.0154 -1.0583 16 10 1 2.8703 -1.9152 16 11 0 -0.8395 0.6631 16 11 1 1.5775 -0.5729 17 0 0 9.4361 -2.7470 17 0 6 3.6592 6.4263 17 1 0 3.0151 2.7284 17 1 1 -5.2570 1.6530 17 1 2 2.7740 -1.6989 17 1 5 -1.0773 -3.1587 17 1 6 -3.0161 -1.5527 17 1 7 0.5894 -2.0474 17 1 8 1.0090 1.8473 17 1 9 -1.1850 0.5320 17 2 0 2.1222 0.6420 17 2 1 -3.8664 -0.6771 17 2 2 2.4968 0.0886 17 2 3 -1.8212 2.7147 17 2 5 0.8334 3.1700 17 2 6 -3.2973 0.8935 17 2 7 1.1467 1.2444 17 2 8 -3.6707 -1.6193 17 2 9 -0.5325 -0.1014 17 2 10 0.7906 -1.3488 17 2 11 -2.8946 -1.3414 17 3 0 2.8334 -0.4648 17 3 1 1.5802 -2.5785 17 3 2 1.9703 0.0065 17 3 3 -1.8169 -0.8535 17 3 4 -0.4115 -0.6562 17 3 5 0.7220 0.6184 17 3 6 -0.7602 -0.2802 17 3 7 2.4141 2.1930 17 3 8 -1.4406 -0.3483 17 3 9 -0.3001 2.8253 17 3 10 0.7260 -1.0119 17 3 11 -0.1170 0.2249 17 3 12 2.5866 -0.2869 17 4 0 -2.1831 0.0001 17 4 1 -2.7495 -1.1493 17 4 2 2.3058 -0.2095 17 4 3 0.4951 -2.7621 17 4 4 0.8260 -1.0834 17 4 5 1.6014 -1.8809 17 4 6 -2.3420 -1.2387 17 4 7 0.9102 -1.5657 17 4 8 0.6818 -1.1887 17 4 9 -0.9156 -0.2742 17 5 0 2.4658 0.4908 17 5 1 -1.5564 1.1071 17 5 2 2.6124 1.8769 17 5 3 -2.5738 0.5906 17 5 4 -0.0499 0.9773 17 5 5 2.7219 1.0266 17 5 6 -1.5196 0.3644 17 5 7 0.1820 0.0940 17 6 0 -1.1732 -0.8159 17 6 1 -3.3425 -0.5102 17 6 2 3.4132 0.9783 17 6 3 -2.7698 -0.1736 17 7 0 -0.9155 -0.7394 17 7 1 0.1284 -0.7070 17 7 2 1.0747 -1.1054 17 8 0 -1.7405 1.0737 18 0 0 11.7416 1.9053 18 0 4 -0.5988 6.9770 18 1 0 2.1890 -3.7773 18 1 1 -6.9245 0.4831 18 1 4 -1.9413 0.1266 18 1 5 -0.6302 -2.1677 18 1 6 -4.8486 5.1267 18 1 7 1.1176 1.1277 18 2 0 2.2234 -1.4840 18 2 1 -3.8728 1.3301 18 2 2 3.7938 -2.4821 18 2 4 3.6646 -0.6056 18 2 5 1.4502 0.5916 18 2 6 -2.1846 -0.3118 18 2 7 1.5585 -2.2733 18 2 8 -2.5089 -1.6963 18 2 9 -0.0801 -0.6613 18 3 0 2.1440 0.7282 18 3 1 1.7825 -2.2346 18 3 2 3.2753 -0.6413 18 3 3 -2.7732 -0.2236 18 3 4 0.3862 -2.1536 18 3 5 0.2424 0.8627 18 3 6 -0.5966 -0.3293 18 3 7 1.7112 0.6873 18 3 8 -0.3823 -0.0419 18 4 0 -3.6281 1.5602 18 4 1 -2.7870 -1.8948 18 4 2 2.1169 0.6999 18 4 3 -0.1121 -2.1246 18 4 4 2.0772 -1.0463 18 5 0 1.9201 1.3835 18 5 1 -0.6352 0.7882 18 5 2 0.6038 3.0741 18 5 3 -3.3791 0.2608 18 6 0 -1.0897 -2.0052 18 6 1 -1.1998 -0.2806 18 6 2 2.4633 0.9377 18 7 0 -0.3771 -2.2352 19 1 4 -0.3006 4.5135 19 2 4 3.6920 -3.6625 19 2 5 0.7386 -2.1379 0 0 0 0.0 0.0 ; _reflns_friedel_fraction is loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 W1 W 0.66104(2) 0.27040(2) 0.47537(2) 0.01636(4) Uani 1 1 d . . . . . Pt1 Pt 0.81884(2) 0.30768(2) 0.42697(2) 0.02063(5) Uani 1 1 d . . . . . P1 P 0.63246(7) 0.26349(7) 0.32673(4) 0.0175(2) Uani 1 1 d . . . . . P3 P 0.72935(8) 0.63639(9) 0.24950(5) 0.0324(3) Uani 1 1 d . . . . . N1 N 0.5843(2) 0.2517(2) 0.55131(13) 0.0211(7) Uani 1 1 d . . . . . N3 N 0.5747(2) 0.1435(2) 0.44925(13) 0.0202(7) Uani 1 1 d . . . . . O2 O 0.7720(2) 0.4367(2) 0.54272(13) 0.0333(7) Uani 1 1 d . . . . . N5 N 0.5355(2) 0.3577(2) 0.44993(13) 0.0182(7) Uani 1 1 d . . . . . C1 C 0.6898(2) 0.2768(3) 0.39635(16) 0.0172(8) Uani 1 1 d . . . . . O1 O 0.8243(2) 0.1544(2) 0.54440(14) 0.0415(8) Uani 1 1 d . . . . . C3 C 0.7328(3) 0.3778(3) 0.51466(17) 0.0208(8) Uani 1 1 d . . . . . C2 C 0.7658(3) 0.1949(3) 0.51603(18) 0.0258(9) Uani 1 1 d . . . . . N4 N 0.4816(2) 0.1423(2) 0.45162(13) 0.0197(7) Uani 1 1 d . . . . . N2 N 0.4895(2) 0.2379(2) 0.54151(14) 0.0182(7) Uani 1 1 d . . . . . N6 N 0.4482(2) 0.3186(2) 0.44834(13) 0.0201(7) Uani 1 1 d . . . . . N7 N 0.9870(2) 0.3457(3) 0.52153(15) 0.0308(8) Uani 1 1 d . . . . . C27 C 0.9275(3) 0.3322(3) 0.48538(17) 0.0262(9) Uani 1 1 d . . . . . N8 N 0.9243(2) 0.3303(3) 0.32239(15) 0.0306(9) Uani 1 1 d . . . . . C32 C 0.8854(3) 0.3227(3) 0.36143(18) 0.0280(10) Uani 1 1 d . . . . . F6 F 0.7594(2) 0.5773(2) 0.30637(13) 0.0715(11) Uani 1 1 d . . . . . C5 C 0.6069(3) 0.2629(3) 0.60837(16) 0.0231(9) Uani 1 1 d . . . . . F5 F 0.6986(2) 0.6959(2) 0.19315(13) 0.0671(10) Uani 1 1 d . . . . . C6 C 0.5278(3) 0.2580(3) 0.63500(17) 0.0245(9) Uani 1 1 d . . . . . H6 H 0.524532 0.263799 0.673937 0.029 Uiso 1 1 calc R U . . . C21 C 0.6596(3) 0.1512(3) 0.29538(16) 0.0197(8) Uani 1 1 d . . . . . C7 C 0.4550(3) 0.2429(3) 0.59193(17) 0.0234(9) Uani 1 1 d . . . . . C19 C 0.5099(3) 0.2686(3) 0.32296(17) 0.0238(9) Uani 1 1 d . . . . . H19A H 0.489288 0.218333 0.345739 0.036 Uiso 1 1 calc R U . . . H19B H 0.482104 0.261164 0.283914 0.036 Uiso 1 1 calc R U . . . H19C H 0.492355 0.329054 0.337191 0.036 Uiso 1 1 calc R U . . . C9 C 0.6925(3) 0.0320(3) 0.41962(18) 0.0279(10) Uani 1 1 d . . . . . H9A H 0.726382 0.087555 0.410882 0.042 Uiso 1 1 calc R U . . . H9B H 0.691246 -0.013296 0.389036 0.042 Uiso 1 1 calc R U . . . H9C H 0.722023 0.003973 0.454536 0.042 Uiso 1 1 calc R U . . . C8 C 0.3548(3) 0.2332(3) 0.59657(18) 0.0289(10) Uani 1 1 d . . . . . H8A H 0.322010 0.287395 0.579114 0.043 Uiso 1 1 calc R U . . . H8B H 0.346462 0.229928 0.636178 0.043 Uiso 1 1 calc R U . . . H8C H 0.331246 0.176128 0.577394 0.043 Uiso 1 1 calc R U . . . C17 C 0.3847(3) 0.3809(3) 0.42389(16) 0.0217(9) Uani 1 1 d . . . . . C4 C 0.7039(3) 0.2765(4) 0.63726(18) 0.0363(11) Uani 1 1 d . . . . . H4A H 0.738709 0.219296 0.633695 0.054 Uiso 1 1 calc R U . . . H4B H 0.703098 0.290419 0.677028 0.054 Uiso 1 1 calc R U . . . H4C H 0.731985 0.328485 0.619581 0.054 Uiso 1 1 calc R U . . . C12 C 0.4452(3) 0.0590(3) 0.42976(16) 0.0225(9) Uani 1 1 d . . . . . C26 C 0.5909(3) 0.0863(3) 0.27590(19) 0.0321(10) Uani 1 1 d . . . . . H26 H 0.529355 0.100974 0.277911 0.038 Uiso 1 1 calc R U . . . C10 C 0.5959(3) 0.0599(3) 0.42646(16) 0.0241(9) Uani 1 1 d . . . . . C20 C 0.6647(3) 0.3573(3) 0.28140(17) 0.0278(10) Uani 1 1 d . . . . . H20A H 0.650228 0.417955 0.296831 0.042 Uiso 1 1 calc R U . . . H20B H 0.631231 0.350201 0.243671 0.042 Uiso 1 1 calc R U . . . H20C H 0.729875 0.353922 0.279513 0.042 Uiso 1 1 calc R U . . . C11 C 0.5155(3) 0.0065(3) 0.41290(17) 0.0272(10) Uani 1 1 d . . . . . H11 H 0.510615 -0.053237 0.395692 0.033 Uiso 1 1 calc R U . . . C14 C 0.6026(3) 0.5107(3) 0.42139(19) 0.0286(10) Uani 1 1 d . . . . . H14A H 0.623031 0.539919 0.457725 0.043 Uiso 1 1 calc R U . . . H14B H 0.583043 0.559185 0.393631 0.043 Uiso 1 1 calc R U . . . H14C H 0.652524 0.474990 0.409271 0.043 Uiso 1 1 calc R U . . . C18 C 0.2833(3) 0.3574(3) 0.41340(19) 0.0323(10) Uani 1 1 d . . . . . H18A H 0.273658 0.302681 0.388855 0.048 Uiso 1 1 calc R U . . . H18B H 0.249679 0.410691 0.395451 0.048 Uiso 1 1 calc R U . . . H18C H 0.261718 0.343794 0.449187 0.048 Uiso 1 1 calc R U . . . C22 C 0.7514(3) 0.1267(3) 0.29221(18) 0.0293(10) Uani 1 1 d . . . . . H22 H 0.798419 0.169081 0.305699 0.035 Uiso 1 1 calc R U . . . C28 C 1.0571(3) 0.3587(3) 0.57191(17) 0.0295(10) Uani 1 1 d . . . . . C16 C 0.4305(3) 0.4617(3) 0.41010(18) 0.0268(9) Uani 1 1 d . . . . . H16 H 0.403818 0.516473 0.392837 0.032 Uiso 1 1 calc R U . . . C15 C 0.5238(3) 0.4456(3) 0.42687(16) 0.0223(9) Uani 1 1 d . . . . . C33 C 0.9781(3) 0.3320(4) 0.2747(2) 0.0385(12) Uani 1 1 d . . . . . C34 C 1.0783(3) 0.3490(4) 0.3001(2) 0.0522(15) Uani 1 1 d . . . . . H34A H 1.082831 0.407304 0.321558 0.078 Uiso 1 1 calc R U . . . H34B H 1.115788 0.353462 0.269760 0.078 Uiso 1 1 calc R U . . . H34C H 1.099597 0.296940 0.324834 0.078 Uiso 1 1 calc R U . . . B1 B 0.4372(3) 0.2253(3) 0.48067(19) 0.0219(10) Uani 1 1 d . . . . . C13 C 0.3452(3) 0.0353(3) 0.42529(19) 0.0338(11) Uani 1 1 d . . . . . H13A H 0.324238 0.045899 0.461583 0.051 Uiso 1 1 calc R U . . . H13B H 0.336073 -0.030406 0.414591 0.051 Uiso 1 1 calc R U . . . H13C H 0.310869 0.075062 0.396826 0.051 Uiso 1 1 calc R U . . . C23 C 0.7733(3) 0.0407(3) 0.2694(2) 0.0387(12) Uani 1 1 d . . . . . H23 H 0.834690 0.025784 0.266840 0.046 Uiso 1 1 calc R U . . . C24 C 0.7044(4) -0.0230(3) 0.2503(2) 0.0452(13) Uani 1 1 d . . . . . H24 H 0.719350 -0.081468 0.235411 0.054 Uiso 1 1 calc R U . . . C25 C 0.6140(4) -0.0009(3) 0.2533(2) 0.0463(14) Uani 1 1 d . . . . . H25 H 0.567700 -0.044186 0.240125 0.056 Uiso 1 1 calc R U . . . C29 C 1.0149(3) 0.4233(4) 0.6131(2) 0.0480(14) Uani 1 1 d . . . . . H29A H 1.000933 0.484172 0.595451 0.072 Uiso 1 1 calc R U . . . H29B H 1.058024 0.431564 0.647343 0.072 Uiso 1 1 calc R U . . . H29C H 0.959157 0.394920 0.622598 0.072 Uiso 1 1 calc R U . . . C30 C 1.1401(3) 0.4044(4) 0.5520(2) 0.0429(13) Uani 1 1 d . . . . . H30A H 1.163516 0.363618 0.524593 0.064 Uiso 1 1 calc R U . . . H30B H 1.187158 0.414095 0.584090 0.064 Uiso 1 1 calc R U . . . H30C H 1.122705 0.464686 0.534452 0.064 Uiso 1 1 calc R U . . . C31 C 1.0788(4) 0.2610(4) 0.5971(2) 0.0541(15) Uani 1 1 d . . . . . H31A H 1.023114 0.232298 0.606469 0.081 Uiso 1 1 calc R U . . . H31B H 1.122807 0.266719 0.631106 0.081 Uiso 1 1 calc R U . . . H31C H 1.104201 0.221913 0.569727 0.081 Uiso 1 1 calc R U . . . C35 C 0.9415(5) 0.4123(5) 0.2353(3) 0.076(2) Uani 1 1 d . . . . . H35A H 0.878254 0.399790 0.220157 0.114 Uiso 1 1 calc R U . . . H35B H 0.977762 0.416968 0.204372 0.114 Uiso 1 1 calc R U . . . H35C H 0.945377 0.471155 0.256227 0.114 Uiso 1 1 calc R U . . . C36 C 0.9670(4) 0.2351(4) 0.2454(3) 0.0657(18) Uani 1 1 d . . . . . H36A H 0.983897 0.185768 0.273129 0.099 Uiso 1 1 calc R U . . . H36B H 1.006256 0.231757 0.216048 0.099 Uiso 1 1 calc R U . . . H36C H 0.903776 0.226615 0.228720 0.099 Uiso 1 1 calc R U . . . F1 F 0.7662(3) 0.7295(2) 0.28162(16) 0.0932(14) Uani 1 1 d . . . . . F2 F 0.6337(2) 0.6506(4) 0.27060(17) 0.134(2) Uani 1 1 d . . . . . F3 F 0.8267(3) 0.6250(3) 0.2304(2) 0.1194(18) Uani 1 1 d . . . . . F4 F 0.6957(5) 0.5436(3) 0.21833(16) 0.164(3) Uani 1 1 d . . . . . H1 H 0.364(3) 0.209(3) 0.4819(16) 0.021(11) 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 W1 0.01714(8) 0.01778(8) 0.01402(8) -0.00096(7) 0.00164(6) 0.00047(6) Pt1 0.01646(8) 0.02810(9) 0.01716(8) -0.00426(7) 0.00173(6) -0.00170(6) P1 0.0187(5) 0.0189(5) 0.0146(5) -0.0017(4) 0.0013(4) 0.0000(4) P3 0.0296(6) 0.0389(7) 0.0276(6) 0.0049(6) 0.0000(5) -0.0050(5) N1 0.0236(18) 0.0240(18) 0.0161(16) -0.0006(14) 0.0044(14) 0.0002(14) N3 0.0226(18) 0.0211(17) 0.0166(16) 0.0015(15) 0.0013(14) 0.0003(14) O2 0.0318(18) 0.0351(18) 0.0339(17) -0.0173(15) 0.0071(14) -0.0066(14) N5 0.0158(16) 0.0194(16) 0.0195(16) -0.0002(14) 0.0027(13) -0.0011(13) C1 0.0139(18) 0.0181(18) 0.0192(19) 0.0015(17) 0.0008(15) -0.0009(15) O1 0.0338(19) 0.052(2) 0.0373(19) 0.0146(18) -0.0009(15) 0.0109(16) C3 0.021(2) 0.022(2) 0.021(2) -0.0019(18) 0.0088(17) 0.0032(17) C2 0.025(2) 0.030(2) 0.024(2) 0.005(2) 0.0072(18) 0.0025(19) N4 0.0241(18) 0.0172(16) 0.0184(16) 0.0015(14) 0.0048(14) -0.0055(14) N2 0.0184(17) 0.0142(15) 0.0222(17) 0.0044(14) 0.0031(14) -0.0035(13) N6 0.0213(18) 0.0214(17) 0.0173(16) -0.0011(14) 0.0018(14) 0.0012(14) N7 0.026(2) 0.045(2) 0.0203(18) -0.0002(18) 0.0000(16) -0.0029(17) C27 0.020(2) 0.037(2) 0.022(2) -0.007(2) 0.0042(18) -0.0058(18) N8 0.0201(19) 0.047(2) 0.0259(19) -0.0081(18) 0.0082(16) -0.0054(17) C32 0.024(2) 0.030(2) 0.029(2) -0.006(2) 0.0032(19) -0.0001(18) F6 0.089(3) 0.063(2) 0.052(2) 0.0246(18) -0.0254(19) -0.0157(19) C5 0.031(2) 0.022(2) 0.017(2) 0.0032(18) 0.0036(17) 0.0036(18) F5 0.070(2) 0.086(2) 0.0448(19) 0.0341(18) 0.0043(17) -0.0019(18) C6 0.035(2) 0.025(2) 0.0141(19) 0.0013(18) 0.0067(18) 0.0066(18) C21 0.025(2) 0.0193(19) 0.0144(19) 0.0004(17) 0.0026(16) 0.0038(17) C7 0.031(2) 0.018(2) 0.023(2) -0.0001(17) 0.0117(18) 0.0026(17) C19 0.024(2) 0.028(2) 0.019(2) -0.0027(19) 0.0009(17) 0.0022(18) C9 0.038(3) 0.021(2) 0.026(2) 0.0037(19) 0.009(2) 0.0044(19) C8 0.031(2) 0.027(2) 0.030(2) 0.001(2) 0.011(2) 0.0025(19) C17 0.023(2) 0.024(2) 0.017(2) -0.0057(18) 0.0004(17) 0.0072(17) C4 0.034(3) 0.056(3) 0.018(2) 0.002(2) -0.0004(19) -0.001(2) C12 0.035(2) 0.0170(19) 0.0146(19) 0.0051(17) 0.0007(17) -0.0081(17) C26 0.031(3) 0.030(2) 0.033(3) -0.005(2) -0.004(2) 0.0000(19) C10 0.039(3) 0.019(2) 0.0151(19) 0.0016(17) 0.0048(18) 0.0027(18) C20 0.034(2) 0.024(2) 0.025(2) 0.0058(19) 0.0011(19) -0.0019(19) C11 0.045(3) 0.0136(19) 0.022(2) -0.0024(18) 0.003(2) -0.0009(19) C14 0.034(2) 0.017(2) 0.034(2) 0.0039(19) 0.002(2) -0.0017(18) C18 0.025(2) 0.038(3) 0.033(2) -0.005(2) 0.000(2) 0.005(2) C22 0.028(2) 0.030(2) 0.031(2) -0.006(2) 0.0067(19) 0.0000(19) C28 0.024(2) 0.042(3) 0.020(2) -0.005(2) -0.0041(18) -0.007(2) C16 0.033(2) 0.021(2) 0.025(2) -0.0025(19) 0.0015(19) 0.0103(18) C15 0.032(2) 0.0154(19) 0.019(2) -0.0041(17) 0.0023(18) 0.0045(17) C33 0.030(3) 0.056(3) 0.034(3) -0.009(2) 0.020(2) -0.002(2) C34 0.032(3) 0.058(3) 0.072(4) -0.020(3) 0.025(3) -0.012(3) B1 0.023(2) 0.026(2) 0.017(2) -0.004(2) 0.0032(19) -0.004(2) C13 0.037(3) 0.035(2) 0.030(2) -0.003(2) 0.005(2) -0.015(2) C23 0.040(3) 0.035(3) 0.042(3) -0.011(2) 0.009(2) 0.011(2) C24 0.058(4) 0.031(3) 0.045(3) -0.015(2) 0.002(3) 0.012(2) C25 0.052(3) 0.031(3) 0.051(3) -0.017(3) -0.008(3) -0.005(2) C29 0.038(3) 0.067(4) 0.038(3) -0.017(3) 0.000(2) 0.002(3) C30 0.021(2) 0.064(4) 0.042(3) -0.003(3) 0.001(2) -0.011(2) C31 0.063(4) 0.051(3) 0.043(3) 0.005(3) -0.013(3) -0.004(3) C35 0.079(5) 0.101(5) 0.055(4) 0.022(4) 0.037(3) 0.026(4) C36 0.061(4) 0.083(4) 0.062(4) -0.036(4) 0.041(3) -0.023(3) F1 0.163(4) 0.054(2) 0.059(2) -0.0041(19) 0.004(3) -0.031(2) F2 0.036(2) 0.286(7) 0.084(3) 0.088(4) 0.023(2) 0.030(3) F3 0.082(3) 0.135(4) 0.156(4) 0.052(3) 0.066(3) 0.056(3) F4 0.351(8) 0.095(3) 0.041(2) 0.000(2) 0.004(3) -0.138(4) 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' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 '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' P P 0.1023 0.0942 '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' W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u 0 0 -4 4818.86 88.66 0 0 -5 12.06 3.49 0 0 5 3.32 2.4 0 0 -6 8338 150.53 0 0 6 8174.88 150.44 0 0 -7 59.57 6.72 0 0 7 51.77 5.98 0 0 -8 2409.21 53.77 0 0 8 2322.85 53.59 0 0 -9 5.66 3.37 0 0 9 6.69 3.14 0 0 -10 102.7 8.88 0 0 10 95.1 8.72 0 0 -11 6.72 4.29 0 0 11 7.61 3.97 0 0 -12 509.88 22.34 0 0 12 481.38 22.05 0 0 13 13.73 5.45 0 0 -13 21.01 6.49 0 0 -14 138 12.73 0 0 -15 17.57 6.45 0 0 -16 77.28 10.38 0 0 -17 18.31 7.67 0 0 17 20.55 5.63 0 0 18 1934.25 51.52 0 0 -18 2055.46 60.99 0 0 19 30.15 6.86 0 0 -19 53.04 11.32 0 0 20 3432.21 80.02 0 0 -20 3489.11 91.82 0 0 21 43.65 7.91 0 0 -21 59.95 12.52 0 0 -22 1710.13 60.09 0 0 22 1631.77 48.32 0 0 23 25.69 7.32 0 0 -23 15.35 7.62 0 0 24 233.49 16.33 0 0 -24 252.81 22.87 0 0 -25 6.22 6.91 0 0 25 8.96 4.83 0 0 -26 37.88 11.72 0 0 -27 -0.94 7.14 0 0 -28 209.97 22.53 0 0 -29 -0.8 8 0 1 4 2677.78 51.12 0 -1 -4 2668.68 50.91 0 1 -4 2630.97 53.59 0 -1 -5 92.51 5.55 0 1 -5 107.74 6.94 0 1 5 92.19 3.97 0 1 5 98.46 5.81 0 -1 -6 7122.28 130.01 0 1 -6 6994.79 132.69 0 1 6 7123.04 125.27 0 1 6 7304.17 130.55 0 1 -7 6.77 3.22 0 1 7 3.37 2.1 0 1 7 1.99 1.68 0 -1 -7 6.61 3.14 0 -1 8 376.39 16.68 0 1 8 404.1 15.74 0 -1 -8 408.67 15.59 0 1 -8 378.53 16.69 0 1 9 291.57 10.97 0 1 9 328.54 14.59 0 -1 -9 279.21 13.79 0 1 -9 304.87 15.45 0 1 10 445.59 18.59 0 -1 -10 434.84 18.14 0 1 10 437.53 14.46 0 1 -10 419.01 19.18 0 1 11 158.98 11.18 0 1 11 150.18 8.39 0 1 -11 160.96 12.06 0 -1 -11 154.81 11.12 0 1 12 173.27 12.36 0 1 12 142.24 8.47 0 -1 -12 144.85 11.34 0 1 -12 162.77 12.51 0 1 13 13.82 4.94 0 1 13 4.26 2.28 0 -1 -13 10.64 4.88 0 1 -13 5.35 4.83 0 1 -14 1253.6 41.17 0 -1 -14 1245.63 39.33 0 1 14 1180.68 32.3 0 1 15 45.48 6.12 0 -1 -15 67.99 9.37 0 1 -15 52.36 9.12 0 1 16 2270.3 53.29 0 1 -16 2233.03 64.07 0 -1 -16 2343.98 62.9 0 -1 -17 37.49 8.51 0 1 -17 31.02 8.1 0 1 17 22.19 5.22 0 1 18 1882.06 47.78 0 1 -18 1920.03 59.97 0 -1 -18 1883.92 57.76 0 1 19 136.02 10.66 0 1 -19 140.81 15.44 0 -1 -19 163.58 15.92 0 1 -20 145.6 16.2 0 -1 20 134.55 12.46 0 -1 -20 170.61 16.55 0 1 20 138.74 10.94 0 -1 -21 162.87 16.91 0 1 -21 162.82 17.6 0 1 21 135.35 11.05 0 -1 21 141.77 13.02 0 1 -22 722.94 37.69 0 -1 22 729.89 30.92 0 -1 -22 781.2 37.32 0 1 22 701.53 26.92 0 -1 -23 76.88 13.09 0 1 -23 68.94 13.56 0 -1 23 48.51 8.59 0 1 23 57.28 7.9 0 -1 -24 1001.33 45.74 0 -1 24 1006.77 38.24 0 1 -24 1014.53 47.15 0 1 24 1002.06 34.09 0 -1 -25 27.76 10.24 0 -1 25 16.91 6.11 0 1 -25 11.85 9.13 0 -1 -26 752.19 41.62 0 -1 26 826.29 35.09 0 1 -27 47.23 12.67 0 1 -28 234.77 24.49 0 1 -29 -5.64 8.17 0 1 -30 1.89 9.18 0 2 -3 2282.43 47.36 0 2 -4 531.94 17.45 0 2 4 571.3 14.39 0 2 5 53.36 4.09 0 2 -5 58.27 5.59 0 2 -6 1009.08 29.13 0 2 6 1041.08 25.62 0 2 6 1066.53 20.72 0 2 7 168.71 5.6 0 -2 -7 156.81 8.35 0 2 -7 179.7 10.94 0 2 7 162.58 8.65 0 2 8 284.04 8.53 0 -2 -8 277.95 12.36 0 2 -8 296.37 15.02 0 2 8 285.69 12.55 0 2 9 453.16 17.39 0 2 -9 450.21 20 0 2 9 457.92 12.43 0 -2 -9 479.38 17.46 0 2 10 22.67 4.49 0 2 -10 21.99 4.74 0 -2 -10 18.18 4.46 0 2 10 18.56 2.65 0 2 11 377.34 17.44 0 2 -11 408 19.94 0 -2 -11 382.42 17.25 0 2 11 403.87 12.65 0 2 -12 -2.43 5.07 0 -2 -12 3.4 2.84 0 2 12 7.9 3.27 0 2 12 4.97 2.07 0 2 -13 15.83 5.12 0 2 13 13.67 2.71 0 2 13 14.13 4.31 0 -2 -13 20.95 5.52 0 -2 -14 68.72 8.31 0 2 -14 55.39 8.42 0 2 14 65.35 5.51 0 2 15 478.32 17 0 2 -15 506.24 26.03 0 -2 -15 557.28 24.64 0 -2 -16 209.68 15.22 0 2 16 202.69 10.57 0 2 -16 203.87 16.91 0 2 17 317.76 13.98 0 2 -17 347.04 22.65 0 -2 -17 331.06 20.27 0 -2 -18 817.23 33.98 0 2 18 783.05 24.78 0 2 -18 806.34 36.49 0 2 19 261.33 13.5 0 2 -19 262.35 20.87 0 -2 -19 277.79 20.03 0 -2 -20 2093.28 63.1 0 2 20 1971.36 48.79 0 2 -20 2117.18 67.33 0 -2 -21 171.16 16.93 0 2 21 144.88 10.65 0 2 -21 170.85 18.49 0 2 -22 1109.2 47.87 0 2 22 1028.56 31.88 0 -2 22 1064.37 40.29 0 -2 -22 1120.45 45.31 0 -2 23 195.6 16.78 0 2 -23 169.55 19.38 0 2 23 157.05 11.47 0 2 -24 508.31 32.95 0 -2 24 494.49 27.2 0 -2 25 259.75 19.75 0 2 -25 278.3 25.4 0 2 -26 194.51 21.98 0 -2 26 151.32 15.52 0 -2 27 32.88 8.66 0 2 -27 38.12 11.89 0 2 -28 29.89 12.01 0 2 -29 0.02 8.74 0 3 0 2.71 1.4 0 -3 0 1.44 1.84 0 -3 -1 6834.69 127.14 0 -3 1 7119.98 126.15 0 3 -1 7043.56 126.11 0 -3 2 17.74 2.78 0 -3 -2 17.75 2.82 0 3 -2 14.72 2.79 0 3 -3 154.51 8.56 0 -3 3 161.02 8.47 0 3 -4 393.38 15.07 0 -3 -4 385.82 9.81 0 -3 4 378.79 14.72 0 3 -5 284.77 13.24 0 3 6 1446.07 32.46 0 3 -6 1468.53 38.46 0 3 7 1506.27 35.19 0 3 -7 1545.01 40.83 0 3 8 3965.98 76.33 0 3 8 3718.79 68.28 0 3 -8 3944.48 83.31 0 3 9 102.06 4.5 0 3 9 103.56 7.62 0 3 -9 87.58 8.93 0 3 10 89.41 7.6 0 3 -10 89.4 9.52 0 3 10 81 4.24 0 3 -11 99.76 10.32 0 3 11 110.31 8.95 0 3 11 113.51 5.37 0 3 12 1877.32 38.33 0 3 -12 1882.39 53.75 0 3 12 1906.05 48.72 0 3 13 1914.37 49.39 0 3 -13 1801.05 53.3 0 3 13 1769.73 37.8 0 3 14 598.43 25.26 0 3 14 614.14 17.17 0 3 -14 581.14 27.84 0 3 -15 197.12 16.26 0 3 15 213.62 9.45 0 3 16 535.58 16.78 0 3 -16 514.48 27.79 0 3 17 19.3 3.58 0 3 -17 26.86 9.09 0 3 18 842.23 23.92 0 3 -18 848.23 38.55 0 3 -19 1309.41 50.49 0 3 19 1326.62 33.69 0 3 20 63.13 6.51 0 3 -20 83.78 14.03 0 3 21 1397.67 36.07 0 3 -21 1483.22 56.15 0 3 -22 142.96 17.72 0 3 -23 187.72 20.43 0 3 -24 548.4 35.04 0 -3 24 467.48 27.5 0 3 -25 17.27 10.64 0 -3 25 8.37 6.03 0 -3 26 431.57 27.2 0 3 -26 480.68 34.59 0 3 -27 258.19 25.83 0 -3 27 195.13 18.71 0 3 -28 324.63 30.11 0 -3 28 255.88 21.49 0 3 -29 117.14 18.96 0 4 0 3009.41 59.57 0 -4 -1 2180.82 48.6 0 4 -1 2223.89 47.04 0 -4 -2 2219.76 48.65 0 -4 2 2239.36 47.85 0 4 -2 2121.66 47.62 0 4 -3 6776.98 131.28 0 -4 3 7189 131.93 0 -4 -3 7098.6 131.54 0 4 -4 50.59 5.84 0 -4 4 49.25 5.68 0 -4 -5 3752.96 67.99 0 -4 5 3742.28 78.27 0 4 -5 3599.95 78.11 0 4 -6 271.9 14.34 0 -4 -6 261.67 7.67 0 -4 6 287.34 14.56 0 4 -7 845.3 28.82 0 4 7 845.07 22.99 0 -4 -7 868.39 17.25 0 4 8 129.81 8.03 0 4 -8 125.34 10.75 0 4 9 416.6 15.86 0 4 -9 409.74 20.56 0 4 -10 115.63 10.93 0 4 10 116.89 4.64 0 4 10 120.86 8.66 0 4 11 315.61 15.06 0 4 -11 322.58 18.96 0 4 11 296.6 9.03 0 4 12 38.88 5.54 0 4 12 37.54 3.13 0 4 -12 18.42 4.85 0 4 13 3.66 1.73 0 4 13 0.24 2.89 0 4 -14 363.93 21.95 0 4 14 337.41 11.03 0 4 14 342.07 18.2 0 4 -15 1028.51 39.89 0 4 15 966.18 23.27 0 4 16 675.3 18.35 0 4 -16 683.09 33.03 0 4 -17 1052.16 43.42 0 4 17 1073.78 26.1 0 4 -18 555.44 31 0 4 18 534.18 16.54 0 4 -19 751.68 37.4 0 4 19 714.98 20.53 0 4 -20 1048.06 46.51 0 4 20 1060.98 27.3 0 4 -21 158.65 18.64 0 4 -22 338.82 26.88 0 4 -23 583.83 36.55 0 4 -24 292.73 26.53 0 -4 25 539.65 31.56 0 4 -25 622.42 39.3 0 4 -26 157.38 20.42 0 -4 26 148.89 17.21 0 4 -27 82.89 16.61 0 -4 27 80.54 13.08 0 4 -28 6.77 8.95 0 -4 28 -5.2 8.71 0 5 0 4.16 2.26 0 -5 0 -1.61 2.63 0 -5 -1 4211.12 84.42 0 5 -1 4042.87 81.6 0 5 2 198.69 11.63 0 5 -2 193.42 10.63 0 -5 -2 191.45 10.96 0 -5 3 298.28 13.85 0 5 -3 300.7 14.14 0 5 3 316.23 15.28 0 -5 -3 308.85 14.38 0 -5 -4 98.84 8.19 0 5 -4 91.36 8.22 0 -5 4 86.79 7.89 0 -5 5 60.66 6.85 0 5 -5 66.13 6.98 0 -5 6 230.64 13.71 0 -5 -6 220.31 8.17 0 5 -6 208.31 13.09 0 5 -7 822.26 29.38 0 -5 -7 804.97 18.5 0 -5 7 893.38 29.96 0 -5 -8 1430.49 27.39 0 5 -8 1370.71 42.2 0 5 8 1434.74 34.52 0 5 -9 177.96 13.83 0 5 9 206.93 10.8 0 5 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0 -6 -7 574.48 16.05 0 6 -8 688.31 28.13 0 -6 -8 707.54 17.2 0 -6 -9 130.4 4.91 0 6 9 138.85 8.8 0 6 -9 126.76 12.26 0 6 -10 59.87 9.06 0 6 10 63.14 6.34 0 6 11 80.42 7.55 0 6 -11 67.77 10.12 0 6 12 502.1 20.04 0 6 -12 462.14 25.61 0 6 -13 660.94 31.43 0 6 13 675.95 24.86 0 6 14 1201.91 36.98 0 6 -14 1217.76 45.77 0 6 -15 351.02 23.84 0 6 -16 669.82 34.33 0 6 -17 1069.24 45.49 0 6 -18 2.78 7.29 0 6 -19 253.58 22.45 0 6 -20 75.17 13.63 0 6 -21 11.88 8.2 0 6 -22 13.01 8.82 0 6 -23 499.06 34.9 0 6 -24 239.36 24.83 0 6 -25 253.53 26.46 0 6 -26 352.05 31.56 0 6 -27 294.29 29.75 0 -6 27 283.72 24.78 0 -6 28 88.68 15.06 0 -6 29 6.65 8.09 0 -6 30 -10.18 10.96 0 -7 0 18.51 5.49 0 7 0 34.13 5.6 0 -7 1 2784.58 66.45 0 7 1 2828.25 61.29 0 -7 -1 2787.84 65.82 0 7 -1 2760.86 62.82 0 -7 -2 1612.98 44.25 0 7 -2 1508.66 41.29 0 7 -3 457.5 19.88 0 -7 -3 424.56 19.97 0 7 -4 790.67 28.4 0 -7 -4 835.73 29.06 0 7 -5 51.77 7.04 0 -7 -5 50.75 7.55 0 -7 5 49.72 7.07 0 7 -6 7.49 3.79 0 -7 -7 52.09 4.86 0 7 -7 51.73 8.35 0 -7 -8 2202.58 45.92 0 7 -8 2291.8 61.44 0 7 -9 199.66 15.72 0 -7 -9 201.99 7.77 0 -7 -10 2263.57 42.57 0 7 10 2383 52.73 0 7 -10 2274.02 64.55 0 7 11 4.51 3.3 0 7 -11 4.55 5.75 0 7 12 1858.89 46.92 0 7 -12 1865.32 58.56 0 7 -13 55.75 10.02 0 7 13 67.02 7.63 0 7 -14 225.97 19.12 0 7 14 212.83 13.77 0 7 15 32.34 5.8 0 7 -15 44.05 9.4 0 7 -16 161.23 17.35 0 7 -17 169.31 17.83 0 7 -18 116.18 15.98 0 7 -19 480.3 31.6 0 7 -20 -5.99 8.14 0 7 -21 667.43 39.2 0 7 -22 19.75 10.16 0 7 -23 276.08 26.76 0 7 -24 74.89 16.05 0 7 -25 46.34 13.82 0 7 -26 28.42 12.93 0 -7 28 279.49 26 0 -7 29 46.13 12.25 0 -8 0 27.54 6.05 0 8 0 32.06 5.7 0 -8 1 65.2 8.13 0 -8 -1 65.63 8.3 0 8 1 72.51 7.22 0 8 -1 63.77 7.24 0 -8 -2 56 7.37 0 8 -2 60.63 7.05 0 -8 2 49.26 7.53 0 8 2 57.14 6.32 0 -8 -3 686.4 27.36 0 8 -3 649.46 25.85 0 -8 -4 767.96 29.44 0 8 -4 805.04 29.68 0 8 -5 984.34 34.29 0 -8 -5 945.46 33.81 0 8 -6 1000.01 35.82 0 8 -7 717.46 30.38 0 -8 -7 748.04 22.24 0 -8 -8 1506.34 35.52 0 8 -8 1495.68 48.6 0 -8 -9 346.09 12.53 0 8 -9 332.55 21.14 0 -8 -10 5.92 2.01 0 8 10 7.24 3.6 0 8 -10 -4.14 5.37 0 8 11 187.24 11.44 0 -8 -11 188.71 6.05 0 8 -11 169.34 16.08 0 8 -12 318.26 22.76 0 8 12 321.25 15.71 0 8 -13 679.14 34.32 0 8 13 741.21 26.15 0 8 -14 1963.41 64.33 0 8 14 1979.64 51.44 0 8 15 358.26 18.55 0 8 -15 374.61 25.92 0 8 -16 591.8 33.36 0 8 -17 276.1 23.06 0 8 -18 -1.67 8.46 0 8 -19 112.87 16.46 0 8 -20 145.18 18.45 0 8 -21 -9.12 9.11 0 8 -22 18.21 8.76 0 8 -23 254.85 25.63 0 8 -24 16.54 10.49 0 8 -25 252.64 27.56 0 9 0 1.54 3.49 0 -9 0 -0.42 4.12 0 -9 -1 853.82 32.44 0 9 1 835.13 28.41 0 9 -1 824.15 29.54 0 -9 1 854.08 32.71 0 9 -2 310.89 17.38 0 9 2 299.34 15.28 0 -9 2 286.2 17.82 0 -9 -2 268.78 17.67 0 9 3 441.93 18.85 0 -9 -3 447.92 22.66 0 9 -3 404.17 20.76 0 -9 -4 768.92 30.68 0 9 -4 741.5 29.52 0 9 -5 409.03 21.96 0 -9 -5 458.24 23.19 0 9 -6 65.91 8.99 0 9 -7 208.79 16.44 0 -9 -8 648.83 21.12 0 9 -8 630.35 30.09 0 -9 -9 1.02 2.16 0 9 -9 7.08 5.6 0 -9 -10 1265.27 29.52 0 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17.19 9.11 0 11 -19 80.39 15.82 0 11 -20 -6.48 10.27 0 11 -21 63.42 12.9 0 11 -22 1.58 10.92 0 11 -23 64.71 16.07 0 12 0 22.07 6 0 -12 0 18.79 6.59 0 -12 -1 75.34 11.1 0 -12 1 50.96 9.19 0 12 1 52.84 7.61 0 12 -1 53.14 8.05 0 -12 2 22.02 7.06 0 -12 -2 30.95 8.72 0 12 -2 27.76 6.67 0 12 2 18.35 5.56 0 12 -3 67.25 9.77 0 12 3 75.02 8.57 0 -12 -3 86.84 12.15 0 -12 3 78.05 11.22 0 -12 4 1.45 5.87 0 12 4 13.87 5.45 0 12 -4 -1.64 6.58 0 -12 -4 9.04 6.83 0 -12 -5 36.1 9.21 0 12 5 22.58 5.38 0 12 -5 34.99 8.31 0 -12 5 25.16 8.39 0 12 -6 177.09 16.58 0 12 6 193.24 13.51 0 12 -7 767.64 36.31 0 12 7 816.72 29.43 0 12 -8 31.4 8.54 0 12 -9 1083.06 45.5 0 12 -10 7.9 7.45 0 12 -11 1782.56 63.39 0 12 -12 52.48 11.98 0 12 -13 946.15 45.55 0 12 -14 161.92 19.62 0 12 -15 44.89 12.96 0 12 -16 21.98 10.36 0 12 -17 108.96 16.32 0 12 -18 8.49 9.5 0 12 -19 -9.77 12.06 0 12 -20 29.82 11.58 0 12 -21 16.79 9.77 0 13 0 1.8 4.78 0 -13 0 1.81 6.16 0 13 -1 43.3 8.3 0 -13 1 60.72 10.99 0 -13 -1 48.36 10.36 0 13 1 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352.12 29.51 0 15 -14 14.71 10.37 0 15 -15 484.38 36.13 0 15 -16 44.65 13.11 0 15 -17 101.55 18 0 -16 0 77.65 14.24 0 -16 -1 33.26 9.54 0 -16 1 34.24 11.45 0 -16 2 -2.55 8.08 0 -16 -2 2.95 7.07 0 -16 3 29.96 12.2 0 -16 -3 1.16 8.23 0 -16 4 141.44 17.68 0 -16 5 45.84 13.48 0 16 -5 47.5 10.8 0 -16 6 335.6 27.32 0 16 -6 354.14 26.03 0 16 -7 281.16 23.71 0 -16 7 353.44 27.77 0 16 -8 247.57 22.89 0 -16 8 231.08 23.23 0 16 -9 308.34 26.49 0 -16 9 352.81 28.79 0 16 -10 9.05 8.56 0 -16 10 5.98 8.27 0 16 -11 346.84 28.6 0 -16 11 312.19 27.7 0 -16 12 193.13 22.49 0 16 -12 214.03 23.12 0 16 -13 375.35 31.2 0 16 -14 258.77 26.73 0 16 -15 7.86 9.75 0 16 -16 188.95 24.26 0 -17 0 -2.46 7.91 0 -17 1 272.67 24.89 0 -17 -1 212.09 22.13 0 -17 2 34.97 11.94 0 -17 -2 24.17 10.43 0 -17 -3 97.33 16.27 0 -17 3 80.26 15.58 0 -17 4 35.73 11.82 0 -17 5 219.58 23.39 0 -17 6 10.13 9.09 0 -17 7 84.38 15.57 0 -17 8 199.48 22.36 0 -17 9 11.88 10.89 0 -17 10 496.56 35.06 0 -17 11 -7.06 9.04 0 17 -11 -3.29 8.23 0 17 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2 790.68 26.93 -2 -7 -2 822.36 30.34 -2 7 -2 814.03 30.06 -2 7 -3 293.66 17.3 -2 -7 -3 283.91 16.95 2 7 3 287.25 9.71 2 7 4 70.8 4.2 -2 -7 -4 88.95 9.61 -2 7 -4 63.34 8.65 -2 7 -5 2 4.41 2 7 5 1.34 1.27 -2 -7 -5 3.64 3.54 -2 -7 -6 9.19 2.11 2 7 6 8.9 1.56 -2 -7 -6 14.39 5.2 -2 7 -6 17.69 6.12 2 7 7 2101.36 41.35 -2 -7 -7 2094.91 40.74 -2 7 -7 2008.97 59.23 2 7 8 19.51 2.57 -2 7 -8 5.86 4.83 -2 -7 -8 19.12 1.91 -2 -7 -8 15.16 1.53 2 7 9 1629 35.73 -2 7 -9 1585.5 52.32 2 7 10 510.45 16.46 -2 7 -10 506.62 27.41 -2 7 -11 1449.27 51.99 2 7 11 1532.82 36.44 2 7 12 668.71 21.79 -2 7 -12 669.46 33.71 2 7 13 642.38 22.16 -2 7 -13 593.28 32.32 2 7 14 53.5 6.64 -2 7 -14 53.8 10.92 2 7 15 11.83 3.98 -2 7 -15 14.39 7.21 -2 7 -16 209.29 20.65 2 7 16 184.98 12.99 -2 7 -17 59.93 12.82 -2 7 -18 698.75 39.08 -2 7 -19 125.89 16.72 -2 7 -20 1057.45 51.34 -2 7 -21 215.12 22.89 -2 7 -22 117.78 17.57 -2 7 -23 166.18 21.21 -2 7 -24 -5.13 9.41 -2 7 -25 16.76 12.13 -2 7 -26 2.93 9.68 -2 -8 27 5.31 8.63 2 8 -26 651.19 44.2 -2 -8 26 622.58 38.56 2 8 -25 57.21 15.65 -2 -8 25 23.86 11.08 -2 -8 24 314.22 26.82 2 8 -24 333.05 29.38 2 8 -23 24.36 11.49 -2 -8 23 5.96 8.09 2 8 -22 206.83 22.8 2 8 -21 170.86 20.27 2 8 -20 115.63 16.13 2 8 -19 476.68 31.75 2 8 -18 471.92 30.75 2 8 -17 733.34 37.66 2 8 -16 147.88 16.6 2 8 -15 1075.78 44.58 2 -8 -14 -0.96 2.08 2 8 -14 5.67 5.92 2 -8 -13 736.56 20.58 2 8 -13 781.61 35.05 2 8 -12 61.76 9.97 2 -8 -12 61.03 5.25 2 8 -11 3.03 4.61 2 -8 -11 10.02 2.9 2 -8 -10 57.24 5.85 2 8 -10 51.47 8.42 2 8 -9 8.33 4.77 2 -8 -9 6.7 2.91 2 8 -8 964.12 34.99 2 -8 -8 980.34 30.01 2 8 -7 321.2 18.54 2 -8 -7 351.74 16.54 2 8 -6 2210.11 58.14 2 -8 -6 2340.4 55 2 -8 -5 111.14 9.26 -2 -8 5 104.97 10.3 2 8 -5 94.4 9.12 -2 -8 4 1710.74 46.49 2 8 -4 1792.31 46.5 2 8 -3 121.59 9.63 -2 -8 3 124.2 9.77 2 -8 -3 130.31 10.96 2 -8 -2 273.18 15.51 2 8 -2 302.41 14.34 -2 -8 1 586.91 26.65 2 -8 -1 636.15 24.39 2 8 -1 598.11 20.73 2 -8 0 286.23 15.75 -2 -8 0 260.86 17.26 -2 8 0 267.69 16.34 2 8 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2 9 1 129.98 8.37 -2 9 -1 128.82 12.23 -2 -9 -1 146.28 13.75 2 -9 1 121.86 11.4 -2 -9 -2 264.88 18.15 2 9 2 257.23 11.68 -2 9 -2 277.93 18.05 2 -9 2 267.29 16.45 2 -9 3 18.33 4.74 -2 -9 -3 12.2 5.48 2 9 3 16.38 2.88 -2 9 -3 21.03 5.98 2 9 4 234.04 9.85 -2 9 -4 227.33 16.95 -2 -9 -4 229.57 17 2 -9 4 214.31 14.92 2 9 5 4.6 2.01 -2 9 -5 10.36 5.23 -2 -9 -5 9.51 5.47 -2 -9 -6 41.14 7.56 2 9 6 45.58 4.05 -2 9 -6 36.95 7.85 -2 -9 -7 537.79 17.51 2 9 7 542.09 14.91 -2 9 -7 506.35 27.98 2 9 7 543.92 15.47 2 9 8 104.29 5.79 -2 9 -8 107.48 13.28 -2 -9 -8 110.64 6.24 -2 -9 -9 229.5 7.71 2 9 9 234.23 9.32 -2 -9 -9 229.82 8.46 -2 9 -9 193.41 17.47 2 9 10 461.54 14.72 -2 9 -10 457.31 28.24 2 9 11 564.36 17.58 -2 9 -11 549.13 31.8 2 9 12 550.56 18.22 -2 9 -12 555.44 32.28 -2 9 -13 818.5 40.74 -2 9 -14 258.86 23.29 -2 9 -15 679.62 38.11 -2 9 -16 16.6 9.5 -2 9 -17 440.05 31.87 -2 9 -18 471.4 33.75 -2 9 -19 163.01 20.91 -2 9 -20 655.53 41.89 -2 9 -21 -0.2 8.68 -2 9 -22 136.81 20.48 -2 9 -23 -0.53 9.03 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48.98 -2 10 -2 1553.08 49.88 2 -10 2 1522.9 46.83 -2 -10 -2 1521.46 50.37 2 10 2 1475.16 37.19 -2 10 -3 494.78 25.92 -2 -10 -3 508.55 26.64 2 -10 3 492.51 23.87 2 10 3 481.13 17.1 2 10 4 87.58 6.26 -2 10 -4 93.02 11.52 -2 -10 -4 98.17 11.95 2 -10 4 87.72 9.57 2 -10 5 177.36 14.64 -2 -10 -5 229.75 17.69 -2 10 -5 191.47 16.7 2 10 5 229.32 10 -2 -10 -6 21.7 6.44 -2 10 -6 15.88 6.24 2 10 6 34.28 3.86 -2 10 -7 408.94 25.96 2 10 7 438.53 13.95 -2 -10 -8 350.48 13.08 2 10 8 338.05 11.78 2 10 8 343.53 11.45 -2 10 -8 292.56 22 -2 -10 -9 292.33 10.4 2 10 9 266.2 10.17 -2 10 -9 300.81 22.8 -2 -10 -9 288.33 11.26 2 10 10 185.33 8.4 -2 10 -10 170.13 17.78 -2 -10 -10 195.5 6.28 -2 -10 -10 193.81 6.91 -2 10 -11 393.13 27.53 -2 10 -12 15.14 9.1 -2 10 -13 72.45 13.5 -2 10 -14 385.28 28.97 -2 10 -15 120.93 17.15 -2 10 -16 624.39 37.98 -2 10 -17 364.11 29.93 -2 10 -18 177.96 22.53 -2 10 -19 607.91 39.94 -2 10 -20 32.14 13.17 -2 10 -21 474.37 36.87 -2 10 -22 219 25.72 -2 10 -23 80.04 17.85 2 11 -23 343.13 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129.62 13.24 -8 -5 4 148.1 10.86 -8 -5 4 139.02 11.75 -8 5 3 117.43 7.68 -8 -5 3 118.68 9.35 -8 -5 3 115.97 10.45 -8 5 2 1344.36 30.58 -8 -5 2 1234.89 34.78 -8 -5 2 1291.13 38.58 -8 -5 1 1372.86 36.47 -8 -5 1 1506.87 41.35 -8 -5 0 434.82 22.21 -8 -5 0 405.58 18.75 -8 -5 -1 1504.96 45.96 -8 -5 -1 1542.76 42.35 8 5 2 798.3 29.24 -8 -5 -2 842.58 31.28 -8 -5 -2 793.08 27.68 8 5 3 421.84 19.68 -8 -5 -3 440.15 21.74 -8 -5 -3 455.15 19.94 -8 -5 -4 675.85 20.6 8 5 4 650.39 24.87 -8 -5 -4 699.72 28.11 -8 -5 -4 650.28 24.91 8 5 5 546.14 22.56 -8 5 -5 520.07 29.58 -8 -5 -5 544.92 24.71 -8 -5 -5 609.33 23.79 -8 -5 -5 574.66 18.35 -8 5 -6 632.1 32.93 8 5 6 598.51 23.04 -8 -5 -6 620.35 19.36 -8 -5 -6 599.35 25.74 -8 -5 -6 576.03 23.4 -8 -5 -7 1979.5 44.69 8 5 7 1928.37 48.66 -8 5 -7 1916.7 63.97 -8 -5 -7 2024.16 51.13 -8 -5 -8 57.84 5.8 8 5 8 61.08 6.98 -8 5 -8 57.04 11.07 -8 -5 -8 64.77 7.51 8 5 9 1897.2 46.8 -8 -5 -9 1933.87 45.03 -8 5 -9 1899.09 64.88 8 5 10 196.52 11.61 -8 -5 -10 200.53 11.36 -8 5 -10 230.46 20.86 8 5 11 242.46 12.56 -8 -5 -11 257.06 13.34 -8 5 -11 288.97 23.92 -8 5 -12 -5.81 8.05 -8 -5 -12 1.91 3.12 -8 -5 -13 7.7 4.05 -8 5 -13 5.55 7 -8 -5 -14 137.53 10.72 -8 5 -14 139.56 17.93 -8 -5 -15 167.83 12.6 -8 5 -15 199.82 21.08 -8 5 -16 168.11 20.19 -8 5 -17 -1.06 9.98 -8 5 -18 487.93 35.92 -8 5 -19 219.21 24.48 -8 5 -20 511.26 37.99 -8 5 -21 420.32 35.09 -8 5 -22 117.25 20.74 -8 5 -23 113.47 20.64 -8 5 -24 274.82 30.11 -8 -6 27 27.7 10.28 -8 -6 26 382.86 29.51 -8 -6 25 66.13 12.68 -8 -6 24 349.23 27.82 -8 -6 23 13.04 9.66 -8 -6 22 8.99 7.91 -8 6 22 4.04 6.96 -8 -6 21 92.92 14.52 -8 6 21 81.54 11.71 -8 -6 20 112.19 15.55 -8 6 20 102.11 13.26 -8 -6 19 706.31 36.46 -8 6 19 686.02 34.13 -8 -6 18 58.61 11.8 -8 6 18 35.25 7.97 -8 -6 17 1216.49 47.39 -8 6 17 1156.46 45.83 -8 -6 16 19.86 8.56 -8 6 16 0.05 5.74 -8 -6 15 1062.54 42.83 -8 6 15 1081.2 43.31 -8 -6 14 61.75 10.91 -8 6 14 66.46 10.96 -8 -6 13 43.52 8.76 -8 6 13 51.09 9.53 -8 -6 12 31.83 8.51 -8 6 12 45.97 8.91 -8 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44.96 8 6 6 54.85 6.87 -8 -6 -6 71.55 9.59 -8 -6 -6 61.46 3.9 -8 -6 -6 66.89 7.46 -8 6 -6 61.99 12.42 8 6 7 266.37 14.11 -8 -6 -7 265.3 8.9 -8 -6 -7 286.13 18.56 -8 6 -7 252.93 21.87 -8 -6 -7 295.42 15.37 -8 -6 -8 85.13 5.01 8 6 8 82.76 7.7 8 -6 8 89.32 4 -8 6 -8 82.3 13.65 -8 -6 -8 89.33 8.39 -8 6 -9 71.7 12.58 -8 -6 -9 83.15 5.23 8 6 9 83.57 7.5 -8 -6 -9 79.77 8.04 -8 -6 -10 86.75 5.85 8 6 10 78.75 7.08 -8 6 -10 68.4 12.01 -8 -6 -11 286.57 11.82 -8 6 -11 285.73 24.73 -8 6 -12 692.68 38.87 -8 -6 -12 702.83 21.6 -8 6 -13 303.13 26.48 -8 6 -14 697.17 40.86 -8 6 -15 -0.12 7.32 -8 6 -16 496.19 36.06 -8 6 -17 2.63 9.2 -8 6 -18 143.95 20.89 -8 6 -19 15.14 9.87 -8 6 -20 59.23 14.45 -8 6 -21 172.35 23.92 -8 6 -22 46.45 16.05 -8 6 -23 573.74 43.72 -8 -7 26 58.35 13.85 -8 -7 25 48.03 12.35 -8 -7 24 316.37 27.49 -8 -7 23 357.37 28.52 -8 -7 22 849.78 43.19 -8 -7 21 160.22 18.8 -8 7 21 154.77 16.2 -8 -7 20 377.72 27.76 -8 7 20 375.13 24.59 -8 7 19 107.21 13.03 -8 -7 19 88.29 14 -8 -7 18 8.29 6.86 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0 -6 29 6.65 8.09 0 -6 30 -10.18 10.96 0 -7 0 18.51 5.49 0 7 0 34.13 5.6 0 -7 1 2784.58 66.45 0 7 1 2828.25 61.29 0 -7 -1 2787.84 65.82 0 7 -1 2760.86 62.82 0 -7 -2 1612.98 44.25 0 7 -2 1508.66 41.29 0 7 -3 457.5 19.88 0 -7 -3 424.56 19.97 0 7 -4 790.67 28.4 0 -7 -4 835.73 29.06 0 7 -5 51.77 7.04 0 -7 -5 50.75 7.55 0 -7 5 49.72 7.07 0 7 -6 7.49 3.79 0 -7 -7 52.09 4.86 0 7 -7 51.73 8.35 0 -7 -8 2202.58 45.92 0 7 -8 2291.8 61.44 0 7 -9 199.66 15.72 0 -7 -9 201.99 7.77 0 -7 -10 2263.57 42.57 0 7 10 2383 52.73 0 7 -10 2274.02 64.55 0 7 11 4.51 3.3 0 7 -11 4.55 5.75 0 7 12 1858.89 46.92 0 7 -12 1865.32 58.56 0 7 -13 55.75 10.02 0 7 13 67.02 7.63 0 7 -14 225.97 19.12 0 7 14 212.83 13.77 0 7 15 32.34 5.8 0 7 -15 44.05 9.4 0 7 -16 161.23 17.35 0 7 -17 169.31 17.83 0 7 -18 116.18 15.98 0 7 -19 480.3 31.6 0 7 -20 -5.99 8.14 0 7 -21 667.43 39.2 0 7 -22 19.75 10.16 0 7 -23 276.08 26.76 0 7 -24 74.89 16.05 0 7 -25 46.34 13.82 0 7 -26 28.42 12.93 0 -7 28 279.49 26 0 -7 29 46.13 12.25 0 -8 0 27.54 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24.16 5.26 0 10 -3 15.43 4.87 0 -10 3 21.4 6.07 0 -10 -3 12.65 4.98 0 10 -4 279.3 18.02 0 -10 -4 280.51 19.04 0 10 4 295.92 15.51 0 10 -5 -0.31 5.18 0 -10 -5 13.41 6.59 0 10 -6 434.1 23.94 0 10 -7 986.84 39.02 0 10 -8 246.14 19.13 0 -10 -8 290.91 14.04 0 10 -9 802.04 36.26 0 -10 -9 849.74 25.49 0 10 -10 9.16 6.04 0 -10 -10 3.33 2.73 0 10 -11 1341.58 50.59 0 10 11 1379.88 37.8 0 10 -12 344.35 24.59 0 10 -13 767.77 38.64 0 10 -14 694.18 37.34 0 10 -15 26.88 10.06 0 10 -16 237.02 22.21 0 10 -17 22.27 8.88 0 10 -18 0.09 7.62 0 10 -19 -15.41 10.79 0 10 -20 104.25 16.83 0 10 -21 9.04 8.4 0 10 -22 63.71 14.24 0 10 -23 -6.33 8.72 0 10 -24 -13.41 10.41 0 11 0 2.78 4.09 0 -11 0 -5.8 5.65 0 -11 -1 92.74 11.77 0 11 -1 95.35 10.24 0 -11 1 107.77 12.16 0 11 1 97.51 9.97 0 -11 -2 232.72 18.23 0 11 -2 217.59 15.69 0 11 2 228.22 14.88 0 -11 2 232.29 17.85 0 11 3 226.95 14.3 0 -11 -3 220.27 17.7 0 -11 3 191.26 16.72 0 11 -3 189.83 15.22 0 -11 4 416.05 24.83 0 -11 -4 476.75 25.72 0 11 -4 390.14 22.78 0 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0 -15 -3 80.48 12.88 0 -15 4 31.34 10.04 0 -15 -4 33.5 10.98 0 15 -4 29.96 9.32 0 -15 5 573.97 34.56 0 15 -5 600.5 32.71 0 -15 6 38.11 11.57 0 15 -6 17.53 8.36 0 -15 7 546.33 33.7 0 15 -7 511.94 31.53 0 -15 8 161.67 18.71 0 15 -8 171.88 19.09 0 -15 9 64.78 14.61 0 15 -9 71.32 13.38 0 -15 10 406.41 30.22 0 15 -10 478.68 31.8 0 15 -11 22.98 11.25 0 15 -12 233.16 23.95 0 15 -13 352.12 29.51 0 15 -14 14.71 10.37 0 15 -15 484.38 36.13 0 15 -16 44.65 13.11 0 15 -17 101.55 18 0 -16 0 77.65 14.24 0 -16 -1 33.26 9.54 0 -16 1 34.24 11.45 0 -16 2 -2.55 8.08 0 -16 -2 2.95 7.07 0 -16 3 29.96 12.2 0 -16 -3 1.16 8.23 0 -16 4 141.44 17.68 0 -16 5 45.84 13.48 0 16 -5 47.5 10.8 0 -16 6 335.6 27.32 0 16 -6 354.14 26.03 0 16 -7 281.16 23.71 0 -16 7 353.44 27.77 0 16 -8 247.57 22.89 0 -16 8 231.08 23.23 0 16 -9 308.34 26.49 0 -16 9 352.81 28.79 0 16 -10 9.05 8.56 0 -16 10 5.98 8.27 0 16 -11 346.84 28.6 0 -16 11 312.19 27.7 0 -16 12 193.13 22.49 0 16 -12 214.03 23.12 0 16 -13 375.35 31.2 0 16 -14 258.77 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47.53 8.23 1 -7 -8 883.7 25.19 1 7 -8 938.85 34.04 1 7 -7 99.39 10.3 1 -7 -7 108.97 7.67 1 7 -6 3314.58 77.64 1 -7 -6 3385.88 70.4 -1 -7 6 3473.84 78.67 -1 7 5 21.06 5.38 -1 -7 5 21.24 4.85 1 7 -5 7.16 4.07 -1 7 4 554.5 24.34 1 7 -4 587.63 22.82 -1 -7 4 586.78 22.71 1 -7 -4 548.27 22.67 -1 7 3 468.44 21.46 1 -7 -3 440.87 19.69 -1 -7 3 431.53 18.5 1 7 -3 456.6 18.99 1 7 -2 96.9 8.1 1 -7 -2 95.56 9.1 1 -7 -1 65.06 7.33 1 7 -1 64.04 6.22 -1 -7 1 55.62 7.29 1 -7 0 74.25 7.82 -1 -7 0 76.67 8.48 1 7 0 77.11 6.6 -1 7 0 70.94 7.56 -1 7 -1 786.58 27.34 1 -7 1 751.29 26.43 -1 -7 -1 706.29 27.18 1 7 1 719.66 21.67 -1 7 -2 163.44 11.87 -1 -7 -2 188.44 12.89 1 7 2 189.76 9.38 1 -7 2 175.77 11.92 -1 7 -3 1495.23 43.08 1 7 3 1529.59 34.71 -1 -7 -3 1438.53 43.02 -1 7 -4 411.09 20.37 -1 -7 -4 434.15 20.36 -1 -7 -5 1972.3 53.35 -1 7 -5 2059.98 55.01 -1 7 -6 784.73 31.02 -1 7 -7 2256.96 61.53 -1 -7 -8 398.25 11.51 1 7 8 404.95 14.13 -1 7 -8 407.87 22.5 1 7 9 5.86 2.86 -1 7 -9 6.58 4.59 -1 7 -10 16.01 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11 699.38 22.53 -1 9 -12 659.93 34.34 1 9 12 707.07 23.17 -1 9 -13 348.37 25.1 1 9 13 305.6 14.79 -1 9 -14 1242.61 51.12 -1 9 -15 18.37 9.45 -1 9 -16 942.01 45.37 -1 9 -17 23.49 9.22 -1 9 -18 19.56 7.81 -1 9 -19 105.96 17.07 -1 9 -20 24.36 10.95 -1 9 -21 229.59 24.14 -1 9 -22 349.12 30.61 -1 9 -23 164.14 22.05 -1 9 -24 -10.54 10.51 1 10 -24 128.23 21.03 1 10 -23 335.41 31.05 1 10 -22 156.23 20.99 1 10 -21 210.03 23.69 1 10 -20 38.65 11.46 1 10 -19 -15.29 10.27 1 10 -18 81.97 14.41 1 10 -17 3.56 7 1 10 -16 162.59 18.07 1 10 -15 117.73 15.36 1 10 -14 5.55 7.31 1 10 -13 27.26 8.29 1 10 -12 346.05 23.98 1 10 -11 10.44 7.16 1 -10 -11 7.07 3.35 1 -10 -10 1042.41 30.2 1 10 -10 1052.37 41.83 1 -10 -9 294.72 14.94 1 10 -9 300.03 20.76 1 10 -8 900.48 37.04 1 -10 -8 937.4 29.7 1 -10 -7 1631.34 43.98 1 10 -7 1568.24 50.66 1 10 -6 65.92 9.74 1 10 -5 1902.05 54.59 1 -10 -4 527.34 25.46 1 10 -4 490.01 23.54 -1 10 3 845.4 30.71 1 -10 -3 818.27 32.69 1 10 -3 813.25 30.19 -1 -10 3 747.02 33.25 1 10 -2 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562.35 38.19 -2 6 -24 40.6 12.56 -2 6 -25 744 46.29 -2 6 -26 44.79 14.41 -2 -7 29 84.39 15.74 -2 -7 28 208.91 22.34 -2 -7 27 27.59 10.06 -2 -7 26 17.11 10.58 2 7 -26 30.66 13.28 2 7 -25 5.99 10.12 -2 -7 25 9.64 7.48 2 7 -24 364.36 30.96 -2 -7 24 322.07 26.11 2 7 -23 144.9 19.05 -2 -7 23 120.64 15.54 2 7 -22 745.71 41.95 2 7 -21 293.91 25.38 2 7 -20 713.68 39.39 2 7 -19 282.74 23.71 2 7 -18 -2.5 6.87 2 7 -17 91.44 13.13 2 7 -16 52.43 10.32 2 7 -15 83.43 12.42 2 -7 -15 86.71 5.95 2 7 -14 6.74 6.2 2 -7 -14 4.5 1.76 2 -7 -13 1137.73 27.38 2 7 -13 1103.97 42.09 2 7 -12 74.61 10.71 2 -7 -12 105.29 6.5 2 7 -11 986.28 37.33 2 -7 -11 1015.54 25.95 2 -7 -10 1037.55 26.97 2 7 -10 943.49 36.42 2 7 -9 919.09 33.74 2 -7 -9 879.72 25.49 2 7 -8 1388.62 42.81 2 -7 -8 1389.92 36.08 2 -7 -7 411.7 17.21 2 7 -7 394.94 19.93 -2 -7 6 26.6 5.54 2 7 -6 19.38 5.21 2 -7 -6 21.18 4.12 -2 7 5 311.03 17.7 -2 -7 5 308.77 16.23 2 7 -5 286.05 15.46 2 -7 -5 310.7 14.89 -2 -7 4 158.37 10.85 -2 7 4 166.54 12.57 2 7 -4 154.36 10.71 -2 -7 3 96.56 8.11 -2 7 3 105.34 9.96 2 7 -3 121.31 8.97 2 -7 -3 119.03 9.39 -2 -7 2 1374.2 36.67 2 -7 -2 1401.63 38.94 2 7 -2 1490.52 36.7 2 7 -1 1057.62 28.21 2 -7 -1 1010.06 31.51 2 7 0 5001.78 93.61 -2 -7 0 4776.44 105.32 2 -7 0 4809.78 99.76 2 7 1 1045.15 25.96 2 -7 1 1084.73 32.3 -2 -7 -1 1054.61 35.35 -2 7 -1 1070.45 34.95 2 7 2 813.17 20.53 2 -7 2 790.68 26.93 -2 -7 -2 822.36 30.34 -2 7 -2 814.03 30.06 -2 7 -3 293.66 17.3 -2 -7 -3 283.91 16.95 2 7 3 287.25 9.71 2 7 4 70.8 4.2 -2 -7 -4 88.95 9.61 -2 7 -4 63.34 8.65 -2 7 -5 2 4.41 2 7 5 1.34 1.27 -2 -7 -5 3.64 3.54 -2 -7 -6 9.19 2.11 2 7 6 8.9 1.56 -2 -7 -6 14.39 5.2 -2 7 -6 17.69 6.12 2 7 7 2101.36 41.35 -2 -7 -7 2094.91 40.74 -2 7 -7 2008.97 59.23 2 7 8 19.51 2.57 -2 7 -8 5.86 4.83 -2 -7 -8 19.12 1.91 -2 -7 -8 15.16 1.53 2 7 9 1629 35.73 -2 7 -9 1585.5 52.32 2 7 10 510.45 16.46 -2 7 -10 506.62 27.41 -2 7 -11 1449.27 51.99 2 7 11 1532.82 36.44 2 7 12 668.71 21.79 -2 7 -12 669.46 33.71 2 7 13 642.38 22.16 -2 7 -13 593.28 32.32 2 7 14 53.5 6.64 -2 7 -14 53.8 10.92 2 7 15 11.83 3.98 -2 7 -15 14.39 7.21 -2 7 -16 209.29 20.65 2 7 16 184.98 12.99 -2 7 -17 59.93 12.82 -2 7 -18 698.75 39.08 -2 7 -19 125.89 16.72 -2 7 -20 1057.45 51.34 -2 7 -21 215.12 22.89 -2 7 -22 117.78 17.57 -2 7 -23 166.18 21.21 -2 7 -24 -5.13 9.41 -2 7 -25 16.76 12.13 -2 7 -26 2.93 9.68 -2 -8 27 5.31 8.63 2 8 -26 651.19 44.2 -2 -8 26 622.58 38.56 2 8 -25 57.21 15.65 -2 -8 25 23.86 11.08 -2 -8 24 314.22 26.82 2 8 -24 333.05 29.38 2 8 -23 24.36 11.49 -2 -8 23 5.96 8.09 2 8 -22 206.83 22.8 2 8 -21 170.86 20.27 2 8 -20 115.63 16.13 2 8 -19 476.68 31.75 2 8 -18 471.92 30.75 2 8 -17 733.34 37.66 2 8 -16 147.88 16.6 2 8 -15 1075.78 44.58 2 -8 -14 -0.96 2.08 2 8 -14 5.67 5.92 2 -8 -13 736.56 20.58 2 8 -13 781.61 35.05 2 8 -12 61.76 9.97 2 -8 -12 61.03 5.25 2 8 -11 3.03 4.61 2 -8 -11 10.02 2.9 2 -8 -10 57.24 5.85 2 8 -10 51.47 8.42 2 8 -9 8.33 4.77 2 -8 -9 6.7 2.91 2 8 -8 964.12 34.99 2 -8 -8 980.34 30.01 2 8 -7 321.2 18.54 2 -8 -7 351.74 16.54 2 8 -6 2210.11 58.14 2 -8 -6 2340.4 55 2 -8 -5 111.14 9.26 -2 -8 5 104.97 10.3 2 8 -5 94.4 9.12 -2 -8 4 1710.74 46.49 2 8 -4 1792.31 46.5 2 8 -3 121.59 9.63 -2 -8 3 124.2 9.77 2 -8 -3 130.31 10.96 2 -8 -2 273.18 15.51 2 8 -2 302.41 14.34 -2 -8 1 586.91 26.65 2 -8 -1 636.15 24.39 2 8 -1 598.11 20.73 2 -8 0 286.23 15.75 -2 -8 0 260.86 17.26 -2 8 0 267.69 16.34 2 8 0 259.78 12.3 2 -8 1 1602.67 44.45 -2 8 -1 1636.19 47.67 -2 -8 -1 1548.07 47.69 2 8 1 1609.4 37.49 2 -8 2 2234.11 56.02 -2 8 -2 2071.32 58.51 2 8 2 2249.69 46.76 -2 -8 -2 2219.79 59.91 2 -8 3 625.91 24.52 2 8 3 578.97 16.82 -2 -8 -3 619.44 26.81 -2 8 -3 583.15 26.49 2 8 4 70.46 4.63 -2 8 -4 67.36 9.44 -2 -8 -4 65.78 8.81 2 8 5 1310.04 28.35 -2 -8 -5 1226.62 41.56 -2 8 -5 1241.24 43.19 -2 -8 -6 62.8 9.35 2 8 6 71.61 4.55 -2 8 -6 62.67 9.61 -2 8 -7 576.31 28.44 -2 -8 -7 601.3 16.74 2 8 7 581.84 15.37 2 8 8 612.16 16.43 -2 8 -8 602.27 29.7 -2 -8 -8 603.47 15.21 2 8 9 336.13 11.72 -2 8 -9 329.51 22.42 -2 8 -10 114.47 13.65 2 8 10 134.79 7.62 -2 8 -11 98.77 13.34 2 8 11 82.01 6.26 2 8 12 80.24 6.66 -2 8 -12 74.9 11.82 2 8 13 32.93 4.82 -2 8 -13 30.16 9.29 2 8 14 1203.37 33.77 -2 8 -14 1178.04 49.67 -2 8 -15 147.76 17.87 -2 8 -16 897.48 44.14 -2 8 -17 74.49 13.36 -2 8 -18 351.25 28.54 -2 8 -19 109.41 16.77 -2 8 -20 -0.41 8.63 -2 8 -21 87.81 15.83 -2 8 -22 132.15 19.38 -2 8 -23 243.73 27.15 -2 8 -24 142.83 21.57 -2 8 -25 441.82 37.04 -2 -9 26 7.61 8.41 2 9 -25 267.94 28.06 -2 -9 25 312.49 27.42 -2 -9 24 204.76 22.26 2 9 -24 264.26 27.54 2 9 -23 255.35 25.89 2 9 -22 561.3 37.63 2 9 -21 153.74 19.87 2 9 -20 380.92 29.45 2 9 -19 10.19 8.07 2 9 -18 -3.44 7.88 2 9 -17 19.38 8.48 2 9 -16 129.23 15.86 2 9 -15 35.91 9.15 2 9 -14 50.24 9.79 2 9 -13 369.89 24 2 -9 -13 377.88 13.92 2 9 -12 41.8 8.46 2 -9 -12 34.02 4.61 2 -9 -11 300.4 13.41 2 9 -11 302.99 21.11 2 -9 -10 696.11 24.22 2 9 -10 749.26 32.25 2 -9 -9 804.03 27.22 2 9 -9 757.39 32.45 2 9 -8 1019.68 37.71 2 -9 -8 1061.66 32.66 2 9 -7 1472.91 46.17 2 -9 -7 1540.03 41.96 2 9 -6 53.04 7.79 2 -9 -6 50.88 7.5 2 9 -5 878.41 31.27 2 9 -4 383.71 18.75 -2 -9 4 406.62 19.51 2 -9 -3 968.67 33.55 2 9 -3 943.61 30.85 2 -9 -2 1282.48 40 2 9 -2 1228.83 35.68 -2 -9 2 1281.4 43.71 -2 9 1 669.74 28.03 -2 -9 1 635.25 29.25 2 -9 -1 714.71 27.51 2 9 -1 635.54 22.65 2 -9 0 2006.9 54.07 -2 9 0 1997.9 56.11 2 9 0 1978.45 47.09 -2 -9 0 2015.81 58.27 2 9 1 129.98 8.37 -2 9 -1 128.82 12.23 -2 -9 -1 146.28 13.75 2 -9 1 121.86 11.4 -2 -9 -2 264.88 18.15 2 9 2 257.23 11.68 -2 9 -2 277.93 18.05 2 -9 2 267.29 16.45 2 -9 3 18.33 4.74 -2 -9 -3 12.2 5.48 2 9 3 16.38 2.88 -2 9 -3 21.03 5.98 2 9 4 234.04 9.85 -2 9 -4 227.33 16.95 -2 -9 -4 229.57 17 2 -9 4 214.31 14.92 2 9 5 4.6 2.01 -2 9 -5 10.36 5.23 -2 -9 -5 9.51 5.47 -2 -9 -6 41.14 7.56 2 9 6 45.58 4.05 -2 9 -6 36.95 7.85 -2 -9 -7 537.79 17.51 2 9 7 542.09 14.91 -2 9 -7 506.35 27.98 2 9 7 543.92 15.47 2 9 8 104.29 5.79 -2 9 -8 107.48 13.28 -2 -9 -8 110.64 6.24 -2 -9 -9 229.5 7.71 2 9 9 234.23 9.32 -2 -9 -9 229.82 8.46 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8.4 -2 10 -10 170.13 17.78 -2 -10 -10 195.5 6.28 -2 -10 -10 193.81 6.91 -2 10 -11 393.13 27.53 -2 10 -12 15.14 9.1 -2 10 -13 72.45 13.5 -2 10 -14 385.28 28.97 -2 10 -15 120.93 17.15 -2 10 -16 624.39 37.98 -2 10 -17 364.11 29.93 -2 10 -18 177.96 22.53 -2 10 -19 607.91 39.94 -2 10 -20 32.14 13.17 -2 10 -21 474.37 36.87 -2 10 -22 219 25.72 -2 10 -23 80.04 17.85 2 11 -23 343.13 31.36 2 11 -22 248.56 26.81 2 11 -21 53.82 14.37 2 11 -20 105.24 16.8 2 11 -19 204.29 22.38 2 11 -18 -2.37 8.4 2 11 -17 139.59 18.42 2 11 -16 68.19 12.53 2 11 -15 8 6.78 2 11 -14 4.57 8.43 2 11 -13 -11.19 9.25 2 11 -12 20.65 6.98 2 11 -11 -7.11 7.34 2 11 -10 228.8 18.65 2 11 -9 520.55 27.57 2 -11 -9 510.06 23.3 2 11 -8 488.8 26.34 2 11 -7 2047.17 59.65 2 11 -6 12.52 6.39 2 11 -5 2157.46 58.94 2 11 -4 48.03 8.49 -2 11 3 1059.97 39.36 2 11 -3 1025.85 35.09 2 -11 -3 1084.31 39.38 -2 -11 3 1072.56 43.07 2 11 -2 388.22 18.94 2 -11 -2 377.61 22.15 -2 -11 2 390.01 24.31 -2 11 2 364.89 21.8 -2 11 1 462.58 24.88 2 -11 -1 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24.04 -7 -5 -1 936.34 28.74 7 5 2 50.81 6.29 -7 -5 -2 43.65 7.15 -7 -5 -2 42.48 5.79 7 5 3 1931.16 47.91 -7 -5 -3 1875.29 51.74 -7 -5 -3 1900.22 46.97 7 5 4 27.08 5.28 -7 -5 -4 30.79 6.3 -7 -5 -4 30.74 3.53 -7 -5 -4 40.28 5.65 7 5 5 2250.63 53.14 -7 5 -5 2231.74 67.19 -7 -5 -5 2284.16 46.38 -7 -5 -5 2175.16 58.29 -7 -5 -5 2348.1 54.32 7 5 6 162.04 10.23 -7 -5 -6 176.88 13.03 -7 -5 -6 160.15 10.76 -7 5 -6 176.18 16.73 -7 -5 -6 173.62 7.98 7 5 7 178.17 10.54 -7 -5 -7 171.43 8.49 -7 5 -7 188.83 17.34 -7 -5 -7 188.92 11.3 7 5 8 21.28 4.09 -7 5 -8 17.54 7.09 -7 -5 -8 21.16 4.09 -7 -5 -8 19.53 3.3 7 5 9 121.24 8.37 -7 -5 -9 134.62 8.14 -7 5 -9 122.78 14.5 7 5 10 45.1 4.98 -7 5 -10 50.28 10.04 -7 -5 -10 52.11 5.45 7 5 11 118.6 7.63 -7 5 -11 97.33 13.74 -7 -5 -11 120.31 8.5 7 5 12 436.46 15.25 -7 -5 -12 463.92 18.41 -7 5 -12 478.17 30.66 -7 -5 -13 0.4 2.92 -7 5 -13 -3.98 7.49 -7 -5 -14 474.94 20.48 -7 5 -14 473.81 31.58 -7 -5 -15 91.1 9.11 -7 5 -15 104.7 15.28 -7 -5 -16 183.25 13.25 -7 5 -16 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2397.05 69.08 -8 -5 12 280.65 19.41 -8 5 12 275.74 20.58 -8 -5 11 1010.38 37.77 -8 5 11 982.78 39.98 -8 -5 10 289.69 18.47 -8 5 10 285.4 20.35 -8 -5 9 386.7 21.4 -8 5 9 384.5 23.66 -8 -5 8 -2.36 5.33 -8 5 8 -0.42 5.67 -8 -5 7 212.47 15.24 -8 5 7 177.63 15.98 -8 -5 6 551.83 24.27 -8 5 6 488.38 26.96 -8 -5 5 237.47 15.21 -8 -5 5 236.89 14.18 -8 5 5 217.81 17.83 -8 5 4 165.61 9.54 -8 5 4 129.62 13.24 -8 -5 4 148.1 10.86 -8 -5 4 139.02 11.75 -8 5 3 117.43 7.68 -8 -5 3 118.68 9.35 -8 -5 3 115.97 10.45 -8 5 2 1344.36 30.58 -8 -5 2 1234.89 34.78 -8 -5 2 1291.13 38.58 -8 -5 1 1372.86 36.47 -8 -5 1 1506.87 41.35 -8 -5 0 434.82 22.21 -8 -5 0 405.58 18.75 -8 -5 -1 1504.96 45.96 -8 -5 -1 1542.76 42.35 8 5 2 798.3 29.24 -8 -5 -2 842.58 31.28 -8 -5 -2 793.08 27.68 8 5 3 421.84 19.68 -8 -5 -3 440.15 21.74 -8 -5 -3 455.15 19.94 -8 -5 -4 675.85 20.6 8 5 4 650.39 24.87 -8 -5 -4 699.72 28.11 -8 -5 -4 650.28 24.91 8 5 5 546.14 22.56 -8 5 -5 520.07 29.58 -8 -5 -5 544.92 24.71 -8 -5 -5 609.33 23.79 -8 -5 -5 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-17 1 9 68.23 14.75 -17 -1 9 51.07 13.95 -17 1 8 64.15 15.92 -17 -1 8 69.91 14.72 -17 1 7 21.03 10.9 -17 -1 7 17.75 9.95 -17 1 6 562.52 38.23 -17 -1 6 499.21 35.86 -17 1 5 6.56 10.43 -17 -1 5 19.8 10.53 -17 1 4 1153.54 56.02 -17 -1 4 1197.6 55.89 -17 1 3 6.52 10.12 -17 -1 3 4.27 8.2 -17 1 2 610.19 39.84 -17 -1 2 644.53 39.7 -17 1 1 10.92 9.38 -17 -1 1 17.23 9.44 -17 1 0 10.98 8.59 -17 -1 0 13.74 9.58 -17 -1 -1 1.89 9.27 -17 -1 -2 -7.99 9.91 -17 1 -5 12.91 8.26 -17 1 -6 90.13 16.74 -17 1 -7 14.98 9.53 -17 1 -8 401.58 32.97 -17 1 -9 -3.48 10.47 -17 2 14 0.64 9.59 -17 2 13 55.19 13.69 -17 -2 13 64.41 15.72 -17 2 12 113.84 19.13 -17 -2 12 114.18 18.09 -17 2 11 257.66 27.31 -17 -2 11 270.76 26.94 -17 2 10 809.16 47.93 -17 -2 10 743.15 44.76 -17 2 9 -7.21 8.3 -17 -2 9 -3.53 9.41 -17 2 8 780.85 46.19 -17 -2 8 805.28 45.5 -17 2 7 24.35 11.5 -17 -2 7 20.99 11.1 -17 2 6 459.78 34.83 -17 -2 6 420.11 32.95 -17 2 5 277.5 27.44 -17 -2 5 308.26 27.8 -17 2 4 109.85 18.47 -17 -2 4 118.07 17.82 -17 2 3 185.81 22.12 -17 -2 3 164.81 20.74 -17 2 2 180.56 22.64 -17 -2 2 174.55 20.93 -17 -2 1 -1.84 10.03 -17 -2 0 194.79 21.77 -17 -2 -1 38.19 11.3 -17 -2 -2 50.17 12.76 -17 -2 -3 60.05 13.6 -17 2 -5 6.02 9.69 -17 2 -6 5.02 8.32 -17 2 -7 53.25 14 -17 2 -8 76.77 16.25 -17 2 -9 69.6 16.41 -17 2 -10 505.97 38.89 -17 2 -11 24.52 12.51 -17 3 13 65.22 15.86 -17 -3 13 65.81 14.32 -17 3 12 151.35 21.83 -17 -3 12 190.4 22.9 -17 3 11 80.26 15.34 -17 -3 11 100.94 18 -17 3 10 35.3 10.47 -17 -3 10 50.08 13.79 -17 3 9 651.19 42.63 -17 -3 9 676.45 42.07 -17 3 8 62.84 14.95 -17 -3 8 60.52 14.59 -17 3 7 357.71 31.51 -17 -3 7 371.28 30.4 -17 3 6 219.7 25.18 -17 -3 6 192.84 22.73 -17 3 5 135.58 20.72 -17 -3 5 162.49 21.15 -17 3 4 504.21 37.26 -17 -3 4 605.58 38.48 -17 3 3 106.32 18.7 -17 -3 3 101.06 17.3 -17 -3 2 405.42 30.98 -17 -3 1 312.76 27.77 -17 -3 0 84.45 15.42 -17 -3 -1 85.44 15.05 -17 -3 -2 108.18 16.88 -17 -3 -3 7.98 7.34 -17 -3 -4 42.17 11.32 -17 3 -5 128.42 20.35 -17 3 -6 38.05 12.77 -17 3 -7 60.64 15.42 -17 3 -8 162.3 22.47 -17 3 -9 68.15 16.95 -17 3 -10 42.46 14.18 -17 3 -11 270.6 29.54 -17 3 -12 -8.12 12.99 -17 4 12 88.53 17.61 -17 -4 12 67.12 14.92 -17 4 11 359.63 32.36 -17 -4 11 383.77 31.36 -17 4 10 367.57 32.74 -17 -4 10 360.79 30.74 -17 4 9 32.42 14.5 -17 -4 9 6.99 10.05 -17 4 8 176.27 22.39 -17 -4 8 123.92 18.42 -17 4 7 117.18 19.12 -17 -4 7 110.67 17.65 -17 4 6 216.01 25.61 -17 -4 6 205.88 22.94 -17 4 5 606.15 40.84 -17 -4 5 541.02 36.63 -17 -4 4 90.71 15.96 -17 -4 3 578.22 37.79 -17 -4 2 -2.77 9.61 -17 -4 1 -0.66 8.73 -17 -4 0 8.37 9.18 -17 -4 -1 120.11 16.96 -17 -4 -2 11.71 10.07 -17 -4 -3 93.6 15.91 -17 -4 -4 121.56 17.05 -17 -4 -5 -3.22 9.54 -17 4 -5 -1.4 10.27 -17 4 -6 48.96 14.63 -17 4 -7 171.48 23.1 -17 4 -8 144.98 21.9 -17 4 -9 308.31 31.58 -17 5 11 187.95 24.31 -17 -5 11 186.62 22.6 -17 5 10 15.98 11.44 -17 -5 10 -0.44 9.1 -17 5 9 581.21 41.73 -17 -5 9 591.91 38.89 -17 5 8 41.67 12.92 -17 -5 8 50.5 13.8 -17 -5 7 511.39 35.9 -17 -5 6 6.1 8.1 -17 -5 5 134.44 18.86 -17 -5 4 165.01 20.18 -17 -5 3 10.33 8.65 -17 -5 2 182.81 21.29 -17 -5 1 333.51 28.54 -17 -5 0 241.01 24.04 -17 -5 -1 128.3 19.11 -17 -5 -2 342.68 28.11 -17 -5 -3 1.48 7.77 -17 -5 -4 216.58 22.15 -17 5 -4 252.05 28.71 -17 -5 -5 34.15 10.78 -17 5 -5 31.51 12.31 -17 5 -6 26.35 12.45 -17 5 -7 10.73 10.22 -17 -6 10 63.51 14.14 -17 -6 9 32.02 11 -17 -6 8 -11.04 9.93 -17 -6 7 143.99 19.46 -17 -6 6 -2.19 9.58 -17 -6 5 348.65 29.35 -17 -6 4 117.16 18.43 -17 -6 3 612.67 38.55 -17 -6 2 117.55 17.2 -17 -6 1 80.39 14.34 -17 -6 0 35.97 11.16 -17 -6 -1 1.53 8.02 -17 -6 -2 25.21 11.35 -17 -6 -3 7.18 8.15 -17 -7 8 20.78 11.02 -17 -7 7 327.11 28.77 -17 -7 6 4.5 8.83 -17 -7 5 40.39 11.04 -17 -7 4 -10.89 10.7 -17 -7 3 3.89 8.19 -17 -7 2 41.72 11.42 -17 -7 1 147.94 19.6 -17 -7 0 280.06 25.51 -17 -7 -1 24.35 9.74 -17 -7 -2 716.05 40.85 -17 -8 7 76.16 14.25 -17 -8 7 96.81 16.18 -17 -8 6 9.94 10.21 -17 -8 5 201.94 22.67 -17 -8 4 175.71 21.68 -17 -8 3 294.53 26.53 -17 -8 2 195.66 22.39 -17 -8 1 130.45 17.89 -17 -8 0 221.72 23.35 -17 -9 8 8.74 9.59 -17 -9 7 70.75 13.8 -17 -9 6 12.89 8.72 -17 -9 5 102.27 16.74 -17 -9 4 53.66 13.53 -17 -9 3 32.04 12.2 -17 -9 2 4.91 9.17 -17 -9 1 2.46 9.31 -17 -10 6 -0.6 11.39 -17 -10 5 19.81 11.53 -17 -10 3 65.08 15.89 -18 0 8 43.05 12.73 -18 0 7 4.35 8.27 -18 0 6 473.89 36.08 -18 0 5 3.38 9.92 -18 0 4 1369.18 62.93 -18 0 3 8.02 11.27 -18 0 2 948.87 51.28 -18 0 1 -5.18 11.67 -18 0 0 140.46 20.07 -18 0 -4 99.05 17.08 -18 1 8 529.98 38.63 -18 -1 8 492.31 37.3 -18 1 7 -0.51 9.54 -18 -1 7 2.68 10.28 -18 1 6 405.84 33.66 -18 -1 6 415.59 33.73 -18 1 5 23.68 10.38 -18 -1 5 11.16 10.1 -18 1 4 -16.78 11.24 -18 -1 4 6.23 10.76 -18 1 3 125.55 19.27 -18 -1 3 102.6 17.12 -18 1 2 422.17 34.69 -18 -1 2 334.53 30.65 -18 1 1 -1.54 11.53 -18 -1 1 0.2 9.78 -18 -1 0 898.07 48.81 -18 -1 -1 -8.61 8.49 -18 1 -4 258.4 26.83 -18 1 -5 24.94 11.08 -18 1 -6 18.61 10.94 -18 1 -7 0.1 8.7 -18 -2 8 40.47 12.45 -18 2 7 204.6 24.28 -18 -2 7 183.86 22.81 -18 2 6 419.97 34.4 -18 -2 6 366 32.23 -18 2 5 65.44 16.46 -18 -2 5 60.51 15.91 -18 2 4 1016.19 54.74 -18 -2 4 995.83 52.26 -18 2 3 23.39 12.7 -18 -2 3 21.19 11.5 -18 -2 2 678.98 42.18 -18 -2 1 250.61 25.79 -18 -2 0 71.06 15.39 -18 -2 -1 117.57 18.26 -18 -2 -2 -6.22 10.55 -18 2 -4 63.25 14.55 -18 2 -5 22.07 12.45 -18 2 -6 17.26 8.67 -18 2 -7 28.83 12.43 -18 2 -8 20.93 11.12 -18 2 -9 5.59 11.46 -18 -3 8 178.02 22.84 -18 -3 7 18.84 9.69 -18 -3 6 88.61 16.53 -18 -3 5 266.27 26.66 -18 3 4 16.53 12.81 -18 -3 4 13.84 11.52 -18 -3 3 514.64 36.8 -18 -3 2 164.28 21.91 -18 -3 1 96.51 17.59 -18 -3 0 206.3 23.27 -18 -3 -1 3.34 9.14 -18 -3 -2 313.84 28.17 -18 -3 -3 131.09 18.8 -18 3 -4 164.06 22.05 -18 3 -5 124.09 20.14 -18 3 -6 60.84 15.05 -18 3 -7 0.72 9.88 -18 3 -8 50.16 15.52 -18 -4 7 406.04 33.85 -18 -4 6 174.8 22.56 -18 -4 5 146.86 20.34 -18 -4 4 392.49 32.45 -18 -4 3 18.98 11 -18 -4 2 165.45 21.01 -18 -4 1 399.19 32.16 -18 -4 0 58.01 13.34 -18 -4 -1 360.42 29.78 -18 -4 -2 91.11 17.07 -18 -4 -3 97.88 16.66 -18 4 -4 37.99 14.41 -18 -4 -4 -1.12 9.62 -18 -5 6 -0.48 9.43 -18 -5 5 503.75 36.57 -18 -5 4 10.19 11.24 -18 -5 3 674.16 42.48 -18 -5 2 23.69 12.16 -18 -5 1 227.4 24.46 -18 -5 0 3.73 9.56 -18 -5 -1 3.61 9.09 -18 -5 -2 92.05 16.9 -18 -5 -3 114.18 17.96 -18 -6 5 100.78 18.19 -18 -6 4 32.96 11.98 -18 -6 3 41.64 12.52 -18 -6 2 0.17 10.3 -18 -6 1 235.31 25.04 -18 -6 0 39.94 12.27 -18 -6 -1 317.73 28.25 -18 -6 -2 264.53 25.65 -18 -7 3 308.68 28.67 -18 -7 2 25.53 10.81 -18 -7 1 108.49 17.74 -18 -7 0 81.57 15.95 -18 -8 2 34.87 11.6 -18 -8 1 17.66 11.49 -19 1 -4 346.97 31.94 -19 2 -4 261.21 28.7 -19 2 -5 117.71 21.57 Q1 1 0.6902 0.7185 0.2688 11.00000 0.05 1.12 Q2 1 0.9750 0.3427 0.3755 11.00000 0.05 1.07 Q3 1 0.6613 0.3392 0.4750 11.00000 0.05 0.97 Q4 1 0.7845 0.5583 0.2340 11.00000 0.05 0.96 Q5 1 0.8118 0.2382 0.4256 11.00000 0.05 0.87 Q6 1 0.6301 0.5810 0.2373 11.00000 0.05 0.87 Q7 1 0.6236 0.2215 0.4770 11.00000 0.05 0.85 Q8 1 0.7086 0.2201 0.4871 11.00000 0.05 0.85 Q9 1 0.8167 0.6849 0.2657 11.00000 0.05 0.80 Q10 1 0.7824 0.3626 0.4331 11.00000 0.05 0.77 Q11 1 0.8592 0.3614 0.4391 11.00000 0.05 0.74 Q12 1 0.7189 0.2660 0.4503 11.00000 0.05 0.70 Q13 1 0.8821 0.3049 0.4070 11.00000 0.05 0.70 Q14 1 0.7572 0.3159 0.4438 11.00000 0.05 0.66 Q15 1 0.6981 0.2932 0.5055 11.00000 0.05 0.65 Q16 1 0.8600 0.2583 0.4221 11.00000 0.05 0.64 Q17 1 0.8657 0.2671 0.4477 11.00000 0.05 0.61 Q18 1 0.5137 0.2393 0.5209 11.00000 0.05 0.61 Q19 1 0.7095 0.3169 0.4856 11.00000 0.05 0.60 Q20 1 0.8553 0.1539 0.6242 11.00000 0.05 0.58 Q21 1 0.7456 0.6721 0.1905 11.00000 0.05 0.56 Q22 1 0.7866 0.2971 0.2796 11.00000 0.05 0.55 Q23 1 0.7390 0.2776 0.4111 11.00000 0.05 0.55 Q24 1 0.6171 0.2981 0.4520 11.00000 0.05 0.54 Q25 1 0.7791 0.2793 0.3945 11.00000 0.05 0.54 Q26 1 0.5960 0.2688 0.4977 11.00000 0.05 0.52 Q27 1 0.7095 0.5195 0.2091 11.00000 0.05 0.50 Q28 1 0.8232 0.6361 0.2099 11.00000 0.05 0.49 Q29 1 0.7427 0.2725 0.6207 11.00000 0.05 0.49 Q30 1 0.7705 0.7483 0.2914 11.00000 0.05 0.49 Q31 1 0.6952 0.5872 0.3098 11.00000 0.05 0.48 Q32 1 0.4377 0.4993 0.3900 11.00000 0.05 0.48 Q33 1 0.9759 0.2659 0.3782 11.00000 0.05 0.48 Q34 1 1.0247 0.5828 0.6207 11.00000 0.05 0.48 Q35 1 0.6219 -0.1209 0.2327 11.00000 0.05 0.47 Q36 1 0.5000 0.5000 0.5000 10.50000 0.05 0.47 Q37 1 0.6394 0.2009 0.2948 11.00000 0.05 0.47 Q38 1 0.8010 0.3202 0.1945 11.00000 0.05 0.47 Q39 1 0.6762 0.2766 0.4321 11.00000 0.05 0.47 Q40 1 0.6789 0.3210 0.4489 11.00000 0.05 0.46 Q41 1 0.7556 0.2588 0.6143 11.00000 0.05 0.46 Q42 1 0.6092 0.1402 0.4774 11.00000 0.05 0.46 Q43 1 0.7145 0.4427 0.5200 11.00000 0.05 0.46 Q44 1 0.5485 0.2191 0.7308 11.00000 0.05 0.46 Q45 1 0.7077 0.1160 0.6695 11.00000 0.05 0.45 Q46 1 0.5008 0.2792 0.7264 11.00000 0.05 0.45 Q47 1 0.6554 0.3182 0.4008 11.00000 0.05 0.44 Q48 1 0.6987 0.5596 0.4918 11.00000 0.05 0.44 Q49 1 0.4691 0.2856 0.5427 11.00000 0.05 0.43 Q50 1 1.0525 0.3077 0.5814 11.00000 0.05 0.43 REM The information below was added by Olex2. REM REM R1 = 0.0301 for 9116 Fo > 4sig(Fo) and 0.0413 for all 21825 data REM 532 parameters refined using n/a restraints REM Highest difference peak 1.12, deepest hole -0.70 REM Mean Shift 0, Max Shift 0.001. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0413 REM R1_gt = 0.0301 REM wR_ref = 0.0621 REM GOOF = 1.020 REM Shift_max = 0.001 REM Shift_mean = 0 REM Reflections_all = 21825 REM Reflections_gt = 9116 REM Parameters = 532 REM Hole = -0.70 REM Peak = 1.12 REM Flack = n/a ; _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 ; data_Compound_8 _audit_creation_date 2020-07-25 _audit_creation_method ; Olex2 1.3 (compiled 2020.07.16 svn.r6f6c53a7 for OlexSys, GUI svn.r6139) ; _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. C71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C46 H55 B N8 O2 P Pt W, F6 P, C H Cl3' _chemical_formula_sum 'C47 H56 B Cl3 F6 N8 O2 P2 Pt W' _chemical_formula_weight 1437.03 _chemical_melting_point ? _chemical_oxdiff_formula 'C46 H54 B1 F6 N8 O2 P2 Pt1 W1' _chemical_oxdiff_usercomment 'DCM hexane' 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' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 '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' P P 0.1023 0.0942 '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' W W -0.8490 6.8722 '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 monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/c 1' _space_group_name_Hall '-P 2ybc' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 16.5808(4) _cell_length_b 14.4490(4) _cell_length_c 22.7627(6) _cell_angle_alpha 90 _cell_angle_beta 93.001(2) _cell_angle_gamma 90 _cell_volume 5445.9(2) _cell_formula_units_Z 4 _cell_measurement_reflns_used 9479 _cell_measurement_temperature 150.00(10) _cell_measurement_theta_max 28.9890 _cell_measurement_theta_min 3.8260 _shelx_estimated_absorpt_T_max ? _shelx_estimated_absorpt_T_min ? _exptl_absorpt_coefficient_mu 4.948 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.36691 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour 'clear light yellow' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 1.753 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description plate _exptl_crystal_F_000 2808 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 7 0 -31 0.0362 -6 1 31 0.0393 -2 -20 0 0.3415 2 20 -1 0.3399 -7 -2 31 0.0407 -10 1 30 0.0397 -19 1 19 0.0417 20 0 -17 0.0404 -14 0 -25 0.0368 14 0 24 0.0383 _exptl_crystal_size_max 0.692 _exptl_crystal_size_mid 0.092 _exptl_crystal_size_min 0.075 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 6.9925 -0.0111 -30.9974 -0.0754 -0.2438 -0.9637 -5.9938 1.0095 30.9960 0.0263 0.2013 0.9674 -1.9977 -19.9661 0.0079 0.2318 0.9282 -0.2316 1.9977 19.9657 -1.0076 -0.2248 -0.9370 0.2025 -6.9925 -1.9855 30.9979 0.0903 0.3375 0.9388 -9.9887 1.0086 30.0008 0.1998 0.1754 0.9736 -18.9769 1.0033 19.0145 0.6512 0.0401 0.7329 19.9756 -0.0041 -17.0166 -0.7142 -0.0651 -0.6711 -13.9814 -0.0113 -24.9760 0.7570 -0.2801 -0.6039 13.9814 0.0109 23.9763 -0.7501 0.2713 0.5748 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0478 _diffrn_reflns_av_unetI/netI 0.0884 _diffrn_reflns_Laue_measured_fraction_full 0.996 _diffrn_reflns_Laue_measured_fraction_max 0.834 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_number 24477 _diffrn_reflns_point_group_measured_fraction_full 0.996 _diffrn_reflns_point_group_measured_fraction_max 0.834 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.266 _diffrn_reflns_theta_min 3.328 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 150.00(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 8.1297 _diffrn_detector_type EosS2 _diffrn_measured_fraction_theta_full 0.996 _diffrn_measured_fraction_theta_max 0.834 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): 1 \w -11.00 33.00 1.00 47.12 -- 15.57 77.00 60.00 44 2 \w 11.00 72.00 1.00 47.12 -- 15.57 57.00 120.00 61 3 \w -50.00 32.00 1.00 47.12 -- 15.57 -57.00 -60.00 82 4 \w -61.00 -35.00 1.00 47.12 -- -16.59 -38.00 120.00 26 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, EosS2' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0416897000 _diffrn_orient_matrix_UB_12 -0.0074396000 _diffrn_orient_matrix_UB_13 -0.0069693000 _diffrn_orient_matrix_UB_21 0.0042684000 _diffrn_orient_matrix_UB_22 -0.0469100000 _diffrn_orient_matrix_UB_23 0.0088460000 _diffrn_orient_matrix_UB_31 -0.0088027000 _diffrn_orient_matrix_UB_32 0.0124910000 _diffrn_orient_matrix_UB_33 0.0291005000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Mo) X-ray Source' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 9139 _reflns_number_total 12383 _reflns_odcompleteness_completeness 99.31 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. ; ; ; ; ; ; ; ; loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 1 8 30 0.0756 -1 -9 -29 0.0644 -6 -17 16 0.1436 6 17 -16 0.1638 1 9 29 0.0662 -17 -10 15 0.1123 16 9 -17 0.1181 -20 -2 -1 0.0478 21 1 -2 0.0578 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 N1 W1 Pt1 152.31(8) . . ? N3 W1 Pt1 120.80(8) . . ? N3 W1 N1 78.58(12) . . ? N5 W1 Pt1 119.32(8) . . ? N5 W1 N1 78.26(12) . . ? N5 W1 N3 87.19(11) . . ? C1 W1 Pt1 45.57(10) . . ? C1 W1 N1 162.12(13) . . ? C1 W1 N3 87.75(13) . . ? C1 W1 N5 89.73(13) . . ? C1 W1 C3 103.85(15) . . ? C1 W1 C2 103.27(16) . . ? C3 W1 Pt1 68.47(11) . . ? C3 W1 N1 90.31(14) . . ? C3 W1 N3 168.34(14) . . ? C3 W1 N5 94.05(13) . . ? C3 W1 C2 81.85(17) . . ? C2 W1 Pt1 70.78(12) . . ? C2 W1 N1 89.33(14) . . ? C2 W1 N3 94.37(15) . . ? C2 W1 N5 166.95(14) . . ? C1 Pt1 W1 45.52(11) . . ? C1 Pt1 C27 157.80(16) . . ? C27 Pt1 W1 112.29(12) . . ? C32 Pt1 W1 152.33(12) . . ? C32 Pt1 C1 106.82(16) . . ? C32 Pt1 C27 95.37(17) . . ? C1 P1 C21 111.92(18) . . ? C1 P1 C19 113.02(18) . . ? C1 P1 C20 110.47(19) . . ? C19 P1 C21 106.88(19) . . ? C19 P1 C20 106.5(2) . . ? C20 P1 C21 107.72(19) . . ? F5 P3 F6 179.4(2) . . ? F1 P3 F6 89.43(19) . . ? F1 P3 F5 90.3(2) . . ? F2 P3 F6 87.3(2) . . ? F2 P3 F5 92.2(2) . . ? F2 P3 F1 90.1(3) . . ? F3 P3 F6 92.0(2) . . ? F3 P3 F5 88.6(2) . . ? F3 P3 F1 87.6(3) . . ? F3 P3 F2 177.6(3) . . ? F4 P3 F6 89.7(2) . . ? F4 P3 F5 90.6(2) . . ? F4 P3 F1 178.4(3) . . ? F4 P3 F2 91.1(3) . . ? F4 P3 F3 91.1(3) . . ? N2 N1 W1 118.6(2) . . ? C5 N1 W1 134.3(3) . . ? C5 N1 N2 106.5(3) . . ? N4 N3 W1 121.9(2) . . ? C10 N3 W1 131.2(3) . . ? C10 N3 N4 106.9(3) . . ? N6 N5 W1 120.8(2) . . ? C15 N5 W1 131.9(3) . . ? C15 N5 N6 106.7(3) . . ? W1 C1 Pt1 88.91(15) . . ? P1 C1 W1 138.4(2) . . ? P1 C1 Pt1 132.7(2) . . ? O2 C3 W1 173.0(3) . . ? O1 C2 W1 173.5(4) . . ? N3 N4 B1 119.4(3) . . ? C12 N4 N3 109.6(3) . . ? C12 N4 B1 130.8(3) . . ? N1 N2 B1 121.8(3) . . ? C7 N2 N1 109.3(3) . . ? C7 N2 B1 128.8(3) . . ? N5 N6 B1 119.0(3) . . ? C17 N6 N5 109.4(3) . . ? C17 N6 B1 130.9(3) . . ? C27 N7 C28 174.1(4) . . ? N7 C27 Pt1 176.0(4) . . ? C32 N8 C33 174.7(5) . . ? N8 C32 Pt1 179.1(4) . . ? N1 C5 C6 109.9(4) . . ? N1 C5 C4 123.7(4) . . ? C6 C5 C4 126.4(4) . . ? C5 C6 H6 126.9 . . ? C7 C6 C5 106.2(3) . . ? C7 C6 H6 126.9 . . ? C26 C21 P1 121.2(3) . . ? C26 C21 C22 118.6(4) . . ? C22 C21 P1 120.2(3) . . ? N2 C7 C6 108.1(4) . . ? N2 C7 C8 123.2(4) . . ? C6 C7 C8 128.6(4) . . ? P1 C19 H19A 109.5 . . ? P1 C19 H19B 109.5 . . ? P1 C19 H19C 109.5 . . ? H19A C19 H19B 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? H9A C9 H9B 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C10 C9 H9A 109.5 . . ? C10 C9 H9B 109.5 . . ? C10 C9 H9C 109.5 . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8B 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? N6 C17 C18 122.2(4) . . ? N6 C17 C16 107.9(4) . . ? C16 C17 C18 129.8(4) . . ? C5 C4 H4A 109.5 . . ? C5 C4 H4B 109.5 . . ? C5 C4 H4C 109.5 . . ? H4A C4 H4B 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? N4 C12 C11 107.7(4) . . ? N4 C12 C13 123.3(4) . . ? C11 C12 C13 129.0(4) . . ? C21 C26 H26 120.0 . . ? C21 C26 C25 120.1(4) . . ? C25 C26 H26 120.0 . . ? N3 C10 C9 122.9(4) . . ? N3 C10 C11 109.2(4) . . ? C11 C10 C9 127.9(4) . . ? P1 C20 H20A 109.5 . . ? P1 C20 H20B 109.5 . . ? P1 C20 H20C 109.5 . . ? H20A C20 H20B 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C12 C11 C10 106.7(4) . . ? C12 C11 H11 126.6 . . ? C10 C11 H11 126.6 . . ? H14A C14 H14B 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C15 C14 H14A 109.5 . . ? C15 C14 H14B 109.5 . . ? C15 C14 H14C 109.5 . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18B 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C21 C22 H22 119.6 . . ? C23 C22 C21 120.9(4) . . ? C23 C22 H22 119.6 . . ? N7 C28 C29 107.0(4) . . ? N7 C28 C30 107.6(3) . . ? N7 C28 C31 106.9(4) . . ? C30 C28 C29 111.2(4) . . ? C30 C28 C31 112.1(4) . . ? C31 C28 C29 111.8(4) . . ? C17 C16 H16 126.6 . . ? C17 C16 C15 106.8(4) . . ? C15 C16 H16 126.6 . . ? N5 C15 C14 122.7(4) . . ? N5 C15 C16 109.2(4) . . ? C16 C15 C14 128.1(4) . . ? N8 C33 C34 106.9(4) . . ? N8 C33 C35 107.7(4) . . ? N8 C33 C36 107.4(4) . . ? C34 C33 C36 110.8(4) . . ? C35 C33 C34 111.4(5) . . ? C35 C33 C36 112.3(5) . . ? C33 C34 H34A 109.5 . . ? C33 C34 H34B 109.5 . . ? C33 C34 H34C 109.5 . . ? H34A C34 H34B 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? N4 B1 N2 108.4(3) . . ? N4 B1 H1 109(2) . . ? N2 B1 H1 111(2) . . ? N6 B1 N4 110.1(3) . . ? N6 B1 N2 107.0(3) . . ? N6 B1 H1 111(2) . . ? C12 C13 H13A 109.5 . . ? C12 C13 H13B 109.5 . . ? C12 C13 H13C 109.5 . . ? H13A C13 H13B 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C22 C23 H23 120.0 . . ? C24 C23 C22 119.9(5) . . ? C24 C23 H23 120.0 . . ? C23 C24 H24 119.9 . . ? C25 C24 C23 120.3(4) . . ? C25 C24 H24 119.9 . . ? C26 C25 H25 119.8 . . ? C24 C25 C26 120.3(4) . . ? C24 C25 H25 119.8 . . ? C28 C29 H29A 109.5 . . ? C28 C29 H29B 109.5 . . ? C28 C29 H29C 109.5 . . ? H29A C29 H29B 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C28 C30 H30A 109.5 . . ? C28 C30 H30B 109.5 . . ? C28 C30 H30C 109.5 . . ? H30A C30 H30B 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C28 C31 H31A 109.5 . . ? C28 C31 H31B 109.5 . . ? C28 C31 H31C 109.5 . . ? H31A C31 H31B 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? C33 C35 H35A 109.5 . . ? C33 C35 H35B 109.5 . . ? C33 C35 H35C 109.5 . . ? H35A C35 H35B 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? C33 C36 H36A 109.5 . . ? C33 C36 H36B 109.5 . . ? C33 C36 H36C 109.5 . . ? H36A C36 H36B 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? 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 W1 Pt1 2.7592(2) . ? W1 N1 2.256(3) . ? W1 N3 2.219(3) . ? W1 N5 2.218(3) . ? W1 C1 1.969(4) . ? W1 C3 1.990(4) . ? W1 C2 1.995(4) . ? Pt1 C1 1.971(4) . ? Pt1 C27 1.984(4) . ? Pt1 C32 1.948(4) . ? P1 C1 1.748(4) . ? P1 C21 1.808(4) . ? P1 C19 1.781(4) . ? P1 C20 1.799(4) . ? P3 F6 1.587(3) . ? P3 F5 1.582(3) . ? P3 F1 1.568(4) . ? P3 F2 1.560(4) . ? P3 F3 1.557(4) . ? P3 F4 1.542(4) . ? N1 N2 1.385(4) . ? N1 C5 1.350(5) . ? N3 N4 1.369(4) . ? N3 C10 1.344(5) . ? O2 C3 1.159(5) . ? N5 N6 1.383(4) . ? N5 C15 1.348(5) . ? O1 C2 1.159(5) . ? N4 C12 1.356(5) . ? N4 B1 1.539(6) . ? N2 C7 1.356(5) . ? N2 B1 1.541(5) . ? N6 C17 1.345(5) . ? N6 B1 1.535(6) . ? N7 C27 1.146(5) . ? N7 C28 1.469(5) . ? N8 C32 1.152(5) . ? N8 C33 1.458(5) . ? C5 C6 1.391(6) . ? C5 C4 1.497(6) . ? C6 H6 0.9300 . ? C6 C7 1.382(6) . ? C21 C26 1.385(6) . ? C21 C22 1.396(5) . ? C7 C8 1.489(6) . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C9 C10 1.494(6) . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C17 C18 1.505(6) . ? C17 C16 1.376(6) . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C12 C11 1.366(6) . ? C12 C13 1.487(6) . ? C26 H26 0.9300 . ? C26 C25 1.395(6) . ? C10 C11 1.391(6) . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C11 H11 0.9300 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C14 C15 1.489(5) . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C22 H22 0.9300 . ? C22 C23 1.377(6) . ? C28 C29 1.520(6) . ? C28 C30 1.503(6) . ? C28 C31 1.509(7) . ? C16 H16 0.9300 . ? C16 C15 1.385(6) . ? C33 C34 1.521(6) . ? C33 C35 1.511(7) . ? C33 C36 1.524(7) . ? C34 H34A 0.9600 . ? C34 H34B 0.9600 . ? C34 H34C 0.9600 . ? B1 H1 1.09(4) . ? C13 H13A 0.9600 . ? C13 H13B 0.9600 . ? C13 H13C 0.9600 . ? C23 H23 0.9300 . ? C23 C24 1.375(7) . ? C24 H24 0.9300 . ? C24 C25 1.367(7) . ? C25 H25 0.9300 . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 H31A 0.9600 . ? C31 H31B 0.9600 . ? C31 H31C 0.9600 . ? C35 H35A 0.9600 . ? C35 H35B 0.9600 . ? C35 H35C 0.9600 . ? C36 H36A 0.9600 . ? C36 H36B 0.9600 . ? C36 H36C 0.9600 . ? 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 W1 N1 N2 C7 -170.7(2) . . . . ? W1 N1 N2 B1 6.1(4) . . . . ? W1 N1 C5 C6 169.3(3) . . . . ? W1 N1 C5 C4 -11.8(6) . . . . ? W1 N3 N4 C12 176.0(2) . . . . ? W1 N3 N4 B1 -8.5(4) . . . . ? W1 N3 C10 C9 6.9(6) . . . . ? W1 N3 C10 C11 -174.7(3) . . . . ? W1 N5 N6 C17 -171.1(2) . . . . ? W1 N5 N6 B1 18.1(4) . . . . ? W1 N5 C15 C14 -9.6(6) . . . . ? W1 N5 C15 C16 170.0(3) . . . . ? P1 C21 C26 C25 -178.3(4) . . . . ? P1 C21 C22 C23 178.8(3) . . . . ? N1 N2 C7 C6 -1.3(4) . . . . ? N1 N2 C7 C8 178.7(3) . . . . ? N1 N2 B1 N4 55.2(4) . . . . ? N1 N2 B1 N6 -63.6(4) . . . . ? N1 C5 C6 C7 0.2(5) . . . . ? N3 N4 C12 C11 -0.4(4) . . . . ? N3 N4 C12 C13 -179.2(3) . . . . ? N3 N4 B1 N2 -53.9(4) . . . . ? N3 N4 B1 N6 62.9(4) . . . . ? N3 C10 C11 C12 -1.8(4) . . . . ? N5 N6 C17 C18 177.1(3) . . . . ? N5 N6 C17 C16 -0.8(4) . . . . ? N5 N6 B1 N4 -68.7(4) . . . . ? N5 N6 B1 N2 49.0(4) . . . . ? C1 P1 C21 C26 122.0(3) . . . . ? C1 P1 C21 C22 -55.8(4) . . . . ? N4 N3 C10 C9 -176.8(3) . . . . ? N4 N3 C10 C11 1.6(4) . . . . ? N4 C12 C11 C10 1.3(4) . . . . ? N2 N1 C5 C6 -1.0(4) . . . . ? N2 N1 C5 C4 177.9(4) . . . . ? N6 N5 C15 C14 179.6(4) . . . . ? N6 N5 C15 C16 -0.8(4) . . . . ? N6 C17 C16 C15 0.3(4) . . . . ? C5 N1 N2 C7 1.4(4) . . . . ? C5 N1 N2 B1 178.2(3) . . . . ? C5 C6 C7 N2 0.6(4) . . . . ? C5 C6 C7 C8 -179.3(4) . . . . ? C21 P1 C1 W1 -104.7(3) . . . . ? C21 P1 C1 Pt1 76.1(3) . . . . ? C21 C26 C25 C24 0.2(7) . . . . ? C21 C22 C23 C24 -1.2(7) . . . . ? C7 N2 B1 N4 -128.7(4) . . . . ? C7 N2 B1 N6 112.5(4) . . . . ? C19 P1 C1 W1 16.0(4) . . . . ? C19 P1 C1 Pt1 -163.2(3) . . . . ? C19 P1 C21 C26 -2.3(4) . . . . ? C19 P1 C21 C22 180.0(3) . . . . ? C9 C10 C11 C12 176.4(4) . . . . ? C17 N6 B1 N4 122.7(4) . . . . ? C17 N6 B1 N2 -119.6(4) . . . . ? C17 C16 C15 N5 0.4(5) . . . . ? C17 C16 C15 C14 179.9(4) . . . . ? C4 C5 C6 C7 -178.6(4) . . . . ? C12 N4 B1 N2 120.5(4) . . . . ? C12 N4 B1 N6 -122.7(4) . . . . ? C26 C21 C22 C23 1.0(6) . . . . ? C10 N3 N4 C12 -0.8(4) . . . . ? C10 N3 N4 B1 174.8(3) . . . . ? C20 P1 C1 W1 135.3(3) . . . . ? C20 P1 C1 Pt1 -44.0(3) . . . . ? C20 P1 C21 C26 -116.4(4) . . . . ? C20 P1 C21 C22 65.8(4) . . . . ? C18 C17 C16 C15 -177.4(4) . . . . ? C22 C21 C26 C25 -0.5(6) . . . . ? C22 C23 C24 C25 0.9(8) . . . . ? C15 N5 N6 C17 1.0(4) . . . . ? C15 N5 N6 B1 -169.9(3) . . . . ? B1 N4 C12 C11 -175.2(4) . . . . ? B1 N4 C12 C13 6.0(6) . . . . ? B1 N2 C7 C6 -177.8(4) . . . . ? B1 N2 C7 C8 2.1(6) . . . . ? B1 N6 C17 C18 -13.5(6) . . . . ? B1 N6 C17 C16 168.6(4) . . . . ? C13 C12 C11 C10 -180.0(4) . . . . ? C23 C24 C25 C26 -0.4(8) . . . . ? loop_ _smtbx_masks_void_nr _smtbx_masks_void_average_x _smtbx_masks_void_average_y _smtbx_masks_void_average_z _smtbx_masks_void_volume _smtbx_masks_void_count_electrons _smtbx_masks_void_content 1 0.000 0.000 0.500 311.2 62.1 '2 CH3CH2OH' 2 0.000 0.500 0.000 311.2 62.1 '2 CH3CH2OH'