#------------------------------------------------------------------------------ #$Date: 2021-10-12 01:59:08 +0300 (Tue, 12 Oct 2021) $ #$Revision: 269892 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/85/7708543.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_7708543 loop_ _publ_author_name 'Dobrynin, Mikhail V.' 'Kasatkina, Svetlana' 'Baykov, Sergey' 'Savko, Polina' 'Antonov, Nikita' 'Mikherdov, Alexander S.' 'Boyarskiy, Vadim' 'Islamova, Regina M.' _publ_section_title ; Deprotonated diaminocarbene platinum complexes for thermoresponsive luminescent silicone materials: both catalysts and luminophores ; _journal_name_full 'Dalton Transactions' _journal_paper_doi 10.1039/D1DT02823E _journal_year 2021 _chemical_formula_moiety 'C30 H30 Cl N5 O Pt' _chemical_formula_sum 'C30 H30 Cl N5 O Pt' _chemical_formula_weight 707.13 _space_group_crystal_system tetragonal _space_group_IT_number 96 _space_group_name_Hall 'P 4nw 2abw' _space_group_name_H-M_alt 'P 43 21 2' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2021-05-03 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2021-08-10 deposited with the CCDC. 2021-10-11 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 14.11700(10) _cell_length_b 14.11700(10) _cell_length_c 27.4755(3) _cell_measurement_reflns_used 62658 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 76.3880 _cell_measurement_theta_min 3.1770 _cell_volume 5475.58(8) _computing_cell_refinement 'CrysAlisPro 1.171.41.95a (Rigaku OD, 2021)' _computing_data_collection 'CrysAlisPro 1.171.41.95a (Rigaku OD, 2021)' _computing_data_reduction 'CrysAlisPro 1.171.41.95a (Rigaku OD, 2021)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100(2) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_detector_type HyPix _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.993 _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 -25.00 1.00 0.50 0.15 -- -47.13 52.00 47.00 52 2 \w -117.00 -87.00 0.50 0.15 -- -47.13 -52.00 -97.00 60 3 \w -15.00 40.00 0.50 0.15 -- 47.13 -52.00 -97.00 110 4 \w 38.00 112.00 0.50 0.15 -- 47.13 52.00 47.00 148 5 \w -177.00-103.00 0.50 0.60 -- -105.31 -52.00 -97.00 148 6 \w -58.00 -33.00 0.50 0.60 -- -105.31 52.00 47.00 50 7 \w 33.00 58.00 0.50 0.60 -- 105.31 -52.00 -97.00 50 8 \w 95.00 178.00 0.50 0.60 -- 105.31 52.00 47.00 166 9 \w -95.00 -44.00 0.50 0.15 -- -47.13 125.00 60.00 102 10 \w -121.00 -34.00 0.50 0.15 -- -47.13 -19.00 120.00 174 11 \w -66.00 19.00 0.50 0.15 -- -47.13 77.00 -60.00 170 12 \w 14.00 39.00 0.50 0.15 -- 47.13-125.00 -90.00 50 13 \w 69.00 95.00 0.50 0.15 -- 47.13-125.00 -90.00 52 14 \w 74.00 119.00 0.50 0.15 -- 47.13 125.00-150.00 90 15 \w -27.00 4.00 0.50 0.15 -- 47.13 -19.00 120.00 62 16 \w -128.00 -94.00 0.50 0.60 -- -105.31 148.00-139.50 68 17 \w -92.00 -47.00 0.50 0.60 -- -105.31 77.00 60.00 90 18 \w -106.00 -51.00 0.50 0.60 -- -105.31 77.00 -30.00 110 19 \w -70.00 -38.00 0.50 0.60 -- -105.31 61.00 -90.00 64 20 \w -174.00-130.00 0.50 0.60 -- -105.31 -61.00 0.00 88 21 \w -108.00 -69.00 0.50 0.60 -- -105.31 110.00-167.40 78 22 \w -176.00 -90.00 0.50 0.60 -- -105.31 -61.00 -30.00 172 23 \w -110.00 -38.00 0.50 0.60 -- -105.31 125.00-180.00 144 24 \w -107.00 -39.00 0.50 0.60 -- -105.31 110.00 -23.93 136 25 \w -67.00 -34.00 0.50 0.60 -- -105.31 77.00-150.00 66 26 \w -110.00 -79.00 0.50 0.60 -- -105.31 119.00 86.87 62 27 \w -107.00 -69.00 0.50 0.60 -- -105.31 105.00 172.64 76 28 \w -105.00 -79.00 0.50 0.60 -- -105.31 77.00-150.00 52 29 \w -153.00 -96.00 0.50 0.60 -- -105.31 -45.00 150.00 114 30 \w -101.00 -58.00 0.50 0.60 -- -105.31 77.00 30.00 86 31 \w -82.00 -41.00 0.50 0.60 -- -105.31 148.00-139.50 82 32 \w 41.00 70.00 0.50 0.60 -- 105.31 -61.00 90.00 58 33 \w 63.00 117.00 0.50 0.60 -- 105.31-133.00 85.71 108 34 \w 39.00 68.00 0.50 0.60 -- 105.31 -61.00-150.00 58 35 \w 94.00 176.00 0.50 0.60 -- 105.31 45.00 -30.00 164 36 \w 36.00 107.00 0.50 0.60 -- 105.31-125.00 150.00 142 37 \w 35.00 76.00 0.50 0.60 -- 105.31-125.00-150.00 82 38 \w 71.00 96.00 0.50 0.60 -- 105.31-133.00 -32.78 50 39 \w 59.00 101.00 0.50 0.60 -- 105.31 -94.00 60.00 84 40 \w 132.00 178.00 0.50 0.60 -- 105.31 30.00-180.00 92 41 \w 94.00 173.00 0.50 0.60 -- 105.31 45.00 0.00 158 42 \w 93.00 123.00 0.50 0.60 -- 105.31 30.00-180.00 60 43 \w 38.00 107.00 0.50 0.60 -- 105.31-110.00 92.49 138 44 \w 35.00 63.00 0.50 0.60 -- 105.31 -61.00 60.00 56 45 \w 53.00 78.00 0.50 0.15 -- 47.13 52.00 47.00 50 46 \w -43.00 -18.00 0.50 0.15 -- 8.00 132.00 107.23 50 47 \w -42.00 -15.00 0.50 0.15 -- 8.00 129.00 39.69 54 48 \w -28.00 -3.00 0.50 0.15 -- 12.00 111.00 172.22 50 49 \w -18.00 7.00 0.50 0.15 -- 16.00 100.00 -26.36 50 50 \w -1.00 26.00 0.50 0.15 -- 24.00 84.00-101.88 54 51 \w 1.00 26.00 0.50 0.15 -- 32.00 94.00 -33.39 50 52 \w 16.00 41.00 0.50 0.15 -- 44.00 89.00 81.67 50 53 \w 15.00 40.00 0.50 0.15 -- 44.00 90.00-142.38 50 54 \w 15.00 40.00 0.50 0.15 -- 44.00 90.00 -37.47 50 55 \w 16.00 41.00 0.50 0.15 -- 44.00 89.00 -0.54 50 56 \w 14.00 39.00 0.50 0.15 -- 44.00 92.00 154.90 50 57 \w 11.00 37.00 0.50 0.15 -- 47.13 -37.00 120.00 52 58 \w 30.00 75.00 0.50 0.15 -- 52.00 77.00-157.37 90 59 \w 29.00 83.00 0.50 0.15 -- 52.00 77.00 -79.45 108 60 \w 80.00 106.00 0.50 0.15 -- 52.00 77.00-157.37 52 61 \w 35.00 63.00 0.50 0.15 -- 56.00 74.00 12.65 56 62 \w 34.00 74.00 0.50 0.15 -- 56.00 76.00 -40.33 80 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy, Single source at home/near, HyPix' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0845632000 _diffrn_orient_matrix_UB_12 0.0270749000 _diffrn_orient_matrix_UB_13 0.0325383000 _diffrn_orient_matrix_UB_21 0.0115068000 _diffrn_orient_matrix_UB_22 0.1043825000 _diffrn_orient_matrix_UB_23 -0.0149453000 _diffrn_orient_matrix_UB_31 -0.0682265000 _diffrn_orient_matrix_UB_32 -0.0159627000 _diffrn_orient_matrix_UB_33 -0.0431368000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0777 _diffrn_reflns_av_unetI/netI 0.0218 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.993 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 32 _diffrn_reflns_limit_l_min -34 _diffrn_reflns_number 93936 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.991 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 76.745 _diffrn_reflns_theta_min 3.520 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'PhotonJet (Cu) X-ray Source' _exptl_absorpt_coefficient_mu 10.742 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.49543 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.41.95a (Rigaku Oxford Diffraction, 2021) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'metallic orange' _exptl_crystal_colour_lustre metallic _exptl_crystal_colour_primary orange _exptl_crystal_density_diffrn 1.716 _exptl_crystal_description prism _exptl_crystal_F_000 2784 _exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: 1,2-dichloroethane' _exptl_crystal_size_max 0.19 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.12 _refine_diff_density_max 0.871 _refine_diff_density_min -1.234 _refine_diff_density_rms 0.092 _refine_ls_abs_structure_details ; Flack x determined using 2221 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.017(12) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.045 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 349 _refine_ls_number_reflns 5721 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.045 _refine_ls_R_factor_all 0.0372 _refine_ls_R_factor_gt 0.0354 _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^)+(0.0286P)^2^+22.2399P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0822 _refine_ls_wR_factor_ref 0.0832 _reflns_Friedel_coverage 0.722 _reflns_Friedel_fraction_full 1.000 _reflns_Friedel_fraction_max 0.988 _reflns_number_gt 5492 _reflns_number_total 5721 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1dt02823e2.cif _cod_data_source_block bsc-461 _cod_original_cell_volume 5475.58(10) _cod_database_code 7708543 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula 'C30 H30 Cl N5 O Pt ' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.359 _shelx_estimated_absorpt_t_min 0.235 _reflns_odcompleteness_completeness 99.97 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 66.97 _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: C1(H1), C2(H2), C29(H29), C27(H27), C30(H30), C11(H11), C28(H28), C20(H20), C10(H10), C19(H19), C9(H9), C18(H18) 2.b Idealised Me refined as rotating group: C22(H22A,H22B,H22C), C13(H13A,H13B,H13C), C23(H23A,H23B,H23C), C25(H25A,H25B, H25C), C14(H14A,H14B,H14C), C26(H26A,H26B,H26C) ; _shelx_res_file ; TITL 17838_pols-89_auto_a.res in P4(3)2(1)2 bsc-461.res created by SHELXL-2018/3 at 17:42:58 on 03-May-2021 REM Old TITL 17838_Pols-89_auto in P4(1)2(1)2 REM SHELXT solution in P4(3)2(1)2: R1 0.072, Rweak 0.014, Alpha 0.022 REM 0.896 for 34 systematic absences, Orientation as input REM Flack x = -0.004 ( 0.011 ) from 2207 Parsons' quotients REM Formula found by SHELXT: C26 N5 O Cl Pt CELL 1.54184 14.117 14.117 27.4755 90 90 90 ZERR 8 0.0001 0.0001 0.0003 0 0 0 LATT -1 SYMM -X,-Y,0.5+Z SYMM 0.5-Y,0.5+X,0.75+Z SYMM 0.5+Y,0.5-X,0.25+Z SYMM 0.5-X,0.5+Y,0.75-Z SYMM 0.5+X,0.5-Y,0.25-Z SYMM +Y,+X,-Z SYMM -Y,-X,0.5-Z SFAC C H Cl N O Pt UNIT 240 240 8 40 8 8 L.S. 11 0 0 PLAN 2 SIZE 0.12 0.19 0.18 TEMP -173(2) CONF BOND list 4 MORE -1 BOND $H fmap 2 53 acta OMIT 0 1 8 OMIT -1 16 14 OMIT 0 3 5 REM REM REM WGHT 0.028600 22.239902 FVAR 1.10065 PT1 6 0.492002 0.686234 0.247047 11.00000 0.04464 0.03219 = 0.03412 -0.00060 -0.00693 -0.00266 CL1 3 0.507982 0.628770 0.165999 11.00000 0.07281 0.05026 = 0.03579 -0.00743 -0.01069 0.00612 N2 4 0.414282 0.826764 0.310091 11.00000 0.04084 0.04022 = 0.04348 -0.00419 -0.00538 0.00152 N1 4 0.386330 0.779659 0.231088 11.00000 0.04089 0.03047 = 0.04596 0.00885 -0.00726 -0.00048 C16 1 0.714241 0.469517 0.271550 11.00000 0.05305 0.04759 = 0.02567 -0.00223 -0.01053 0.00621 N3 4 0.540404 0.759268 0.347781 11.00000 0.03805 0.04320 = 0.03072 -0.00571 -0.00336 -0.00498 O1 5 0.481977 0.972587 0.325130 11.00000 0.06809 0.04966 = 0.08010 0.00118 -0.00107 -0.00393 C1 1 0.338878 0.781861 0.187718 11.00000 0.04076 0.04976 = 0.04564 0.00915 -0.00605 -0.00759 AFIX 43 H1 2 0.355220 0.737436 0.163142 11.00000 -1.20000 AFIX 0 C7 1 0.625720 0.707236 0.352272 11.00000 0.04355 0.04471 = 0.03977 -0.00855 -0.00256 -0.00235 C6 1 0.487601 0.756799 0.309973 11.00000 0.04298 0.03425 = 0.04783 -0.00608 0.00181 -0.01084 C3 1 0.242895 0.909687 0.215179 11.00000 0.04069 0.04542 = 0.05095 0.01709 0.00263 -0.00904 C2 1 0.269795 0.845041 0.178847 11.00000 0.04788 0.04962 = 0.04762 0.01571 -0.00730 -0.00966 AFIX 43 H2 2 0.239199 0.845986 0.148055 11.00000 -1.20000 AFIX 0 C29 1 0.186146 1.031792 0.289614 11.00000 0.03890 0.04345 = 0.07050 0.00992 -0.00117 0.00225 AFIX 43 H29 2 0.165506 1.072912 0.314847 11.00000 -1.20000 AFIX 0 C5 1 0.363222 0.838406 0.267135 11.00000 0.04160 0.03020 = 0.04596 0.00506 -0.00488 -0.00580 C27 1 0.169065 0.977347 0.207933 11.00000 0.04401 0.04532 = 0.05994 0.02530 -0.00271 0.00125 AFIX 43 H27 2 0.138068 0.980610 0.177289 11.00000 -1.20000 AFIX 0 C17 1 0.791051 0.484326 0.240090 11.00000 0.06127 0.03970 = 0.04457 -0.00870 -0.02229 0.00248 C30 1 0.257484 0.969095 0.298437 11.00000 0.03760 0.04923 = 0.06016 0.00934 -0.00482 0.00122 AFIX 43 H30 2 0.286156 0.966927 0.329698 11.00000 -1.20000 AFIX 0 C12 1 0.630441 0.632337 0.386228 11.00000 0.05074 0.04048 = 0.04075 -0.00683 -0.00649 -0.00359 C21 1 0.704601 0.391605 0.302190 11.00000 0.05910 0.03824 = 0.04273 -0.00819 -0.02286 0.00367 C4 1 0.289134 0.907209 0.261356 11.00000 0.03782 0.04020 = 0.05233 0.00953 -0.00244 -0.00869 N4 4 0.642205 0.537774 0.269816 11.00000 0.04838 0.03596 = 0.04126 0.00115 -0.00997 0.01256 C11 1 0.716044 0.586172 0.392892 11.00000 0.05760 0.04825 = 0.05526 -0.00926 -0.01912 -0.00048 AFIX 43 H11 2 0.720759 0.535778 0.415678 11.00000 -1.20000 AFIX 0 C28 1 0.142790 1.036377 0.243723 11.00000 0.03777 0.04678 = 0.07749 0.02344 0.00131 0.00314 AFIX 43 H28 2 0.094359 1.081727 0.237945 11.00000 -1.20000 AFIX 0 C22 1 0.796557 0.570322 0.207225 11.00000 0.06293 0.05440 = 0.04742 0.00093 -0.00164 -0.00194 AFIX 137 H22A 2 0.741857 0.570912 0.185265 11.00000 -1.50000 H22B 2 0.855044 0.567707 0.188057 11.00000 -1.50000 H22C 2 0.796334 0.627975 0.227092 11.00000 -1.50000 AFIX 0 N5 4 0.410936 0.900565 0.387656 11.00000 0.05729 0.05544 = 0.04335 -0.00630 -0.00182 0.01195 C8 1 0.706357 0.738501 0.326954 11.00000 0.03719 0.04951 = 0.04110 -0.01161 -0.00555 -0.00281 C13 1 0.702818 0.822505 0.294256 11.00000 0.04496 0.06279 = 0.05272 -0.00708 0.00260 -0.01746 AFIX 137 H13A 2 0.668560 0.806091 0.264402 11.00000 -1.50000 H13B 2 0.767448 0.842148 0.286031 11.00000 -1.50000 H13C 2 0.670115 0.874581 0.310808 11.00000 -1.50000 AFIX 0 C20 1 0.775601 0.324702 0.300489 11.00000 0.06212 0.05005 = 0.04661 -0.00067 -0.01328 0.00345 AFIX 43 H20 2 0.771665 0.269823 0.320398 11.00000 -1.20000 AFIX 0 C10 1 0.796091 0.614033 0.365846 11.00000 0.04791 0.06001 = 0.06397 -0.02522 -0.01684 0.00989 AFIX 43 H10 2 0.854196 0.581035 0.369942 11.00000 -1.20000 AFIX 0 C19 1 0.851613 0.336801 0.270354 11.00000 0.05523 0.05086 = 0.05968 -0.00756 -0.02520 0.01460 AFIX 43 H19 2 0.899564 0.289595 0.269871 11.00000 -1.20000 AFIX 0 C23 1 0.621295 0.380674 0.335686 11.00000 0.06934 0.04076 = 0.04013 -0.00117 -0.01140 -0.00349 AFIX 137 H23A 2 0.631524 0.418674 0.365069 11.00000 -1.50000 H23B 2 0.614255 0.313880 0.344704 11.00000 -1.50000 H23C 2 0.563727 0.402334 0.319149 11.00000 -1.50000 AFIX 0 C9 1 0.791264 0.688332 0.333602 11.00000 0.04238 0.06648 = 0.05366 -0.02478 -0.00319 0.00279 AFIX 43 H9 2 0.845978 0.705931 0.315617 11.00000 -1.20000 AFIX 0 C15 1 0.587254 0.596247 0.264493 11.00000 0.05360 0.03802 = 0.02883 -0.00456 -0.00321 -0.00685 C18 1 0.861659 0.416442 0.240004 11.00000 0.04894 0.06123 = 0.04937 -0.00862 -0.01105 0.00684 AFIX 43 H18 2 0.915887 0.423441 0.219849 11.00000 -1.20000 AFIX 0 C24 1 0.437697 0.905940 0.342753 11.00000 0.05625 0.04598 = 0.06613 0.00515 -0.00462 -0.00322 C25 1 0.360123 0.814965 0.407116 11.00000 0.06463 0.07773 = 0.04557 0.01457 0.00458 -0.00156 AFIX 137 H25A 2 0.341214 0.774041 0.379992 11.00000 -1.50000 H25B 2 0.303671 0.835165 0.425094 11.00000 -1.50000 H25C 2 0.402364 0.779897 0.428945 11.00000 -1.50000 AFIX 0 C14 1 0.544644 0.604816 0.414859 11.00000 0.06090 0.05207 = 0.04199 0.00315 -0.01066 -0.01126 AFIX 137 H14A 2 0.517630 0.661166 0.430392 11.00000 -1.50000 H14B 2 0.562511 0.558726 0.439902 11.00000 -1.50000 H14C 2 0.497571 0.576521 0.393044 11.00000 -1.50000 AFIX 0 C26 1 0.439476 0.967053 0.423899 11.00000 0.07831 0.08041 = 0.06490 -0.03203 -0.01625 0.03193 AFIX 137 H26A 2 0.508770 0.968224 0.425958 11.00000 -1.50000 H26B 2 0.413056 0.948395 0.455459 11.00000 -1.50000 H26C 2 0.416208 1.030216 0.415178 11.00000 -1.50000 AFIX 0 HKLF 4 REM 17838_pols-89_auto_a.res in P4(3)2(1)2 REM wR2 = 0.0832, GooF = S = 1.045, Restrained GooF = 1.045 for all data REM R1 = 0.0354 for 5492 Fo > 4sig(Fo) and 0.0372 for all 5721 data REM 349 parameters refined using 0 restraints END WGHT 0.0286 22.2401 REM Highest difference peak 0.871, deepest hole -1.234, 1-sigma level 0.092 Q1 1 0.5828 0.9206 0.3694 11.00000 0.05 0.87 Q2 1 0.5372 0.6572 0.2410 11.00000 0.05 0.85 ; _shelx_res_checksum 66123 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.973 _oxdiff_exptl_absorpt_empirical_full_min 0.650 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, z+1/2' '-y+1/2, x+1/2, z+3/4' 'y+1/2, -x+1/2, z+1/4' '-x+1/2, y+1/2, -z+3/4' 'x+1/2, -y+1/2, -z+1/4' 'y, x, -z' '-y, -x, -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 Pt1 Pt 0.49200(2) 0.68623(2) 0.24705(2) 0.03699(10) Uani 1 1 d . . . . . Cl1 Cl 0.50798(19) 0.62877(16) 0.16600(7) 0.0530(5) Uani 1 1 d . . . . . N2 N 0.4143(5) 0.8268(5) 0.3101(3) 0.0415(16) Uani 1 1 d . . . . . N1 N 0.3863(5) 0.7797(5) 0.2311(2) 0.0391(15) Uani 1 1 d . . . . . C16 C 0.7142(7) 0.4695(6) 0.2716(3) 0.0421(19) Uani 1 1 d . . . . . N3 N 0.5404(5) 0.7593(5) 0.3478(2) 0.0373(15) Uani 1 1 d . . . . . O1 O 0.4820(6) 0.9726(5) 0.3251(3) 0.0660(19) Uani 1 1 d . . . . . C1 C 0.3389(6) 0.7819(7) 0.1877(3) 0.045(2) Uani 1 1 d . . . . . H1 H 0.355220 0.737436 0.163142 0.054 Uiso 1 1 calc R . . . . C7 C 0.6257(6) 0.7072(6) 0.3523(3) 0.0427(19) Uani 1 1 d . . . . . C6 C 0.4876(6) 0.7568(6) 0.3100(3) 0.0417(18) Uani 1 1 d . . . . . C3 C 0.2429(6) 0.9097(7) 0.2152(3) 0.046(2) Uani 1 1 d . . . . . C2 C 0.2698(7) 0.8450(7) 0.1788(3) 0.048(2) Uani 1 1 d . . . . . H2 H 0.239199 0.845986 0.148055 0.058 Uiso 1 1 calc R . . . . C29 C 0.1861(6) 1.0318(6) 0.2896(4) 0.051(2) Uani 1 1 d . . . . . H29 H 0.165506 1.072912 0.314847 0.061 Uiso 1 1 calc R . . . . C5 C 0.3632(6) 0.8384(6) 0.2671(3) 0.0393(17) Uani 1 1 d . . . . . C27 C 0.1691(6) 0.9773(6) 0.2079(3) 0.050(2) Uani 1 1 d . . . . . H27 H 0.138068 0.980610 0.177289 0.060 Uiso 1 1 calc R . . . . C17 C 0.7911(7) 0.4843(6) 0.2401(3) 0.049(2) Uani 1 1 d . . . . . C30 C 0.2575(6) 0.9691(7) 0.2984(4) 0.049(2) Uani 1 1 d . . . . . H30 H 0.286156 0.966927 0.329698 0.059 Uiso 1 1 calc R . . . . C12 C 0.6304(7) 0.6323(7) 0.3862(3) 0.0440(18) Uani 1 1 d . . . . . C21 C 0.7046(7) 0.3916(6) 0.3022(3) 0.047(2) Uani 1 1 d . . . . . C4 C 0.2891(6) 0.9072(6) 0.2614(3) 0.0434(18) Uani 1 1 d . . . . . N4 N 0.6422(6) 0.5378(5) 0.2698(2) 0.0419(16) Uani 1 1 d . . . . . C11 C 0.7160(7) 0.5862(7) 0.3929(4) 0.054(2) Uani 1 1 d . . . . . H11 H 0.720759 0.535778 0.415678 0.064 Uiso 1 1 calc R . . . . C28 C 0.1428(6) 1.0364(7) 0.2437(4) 0.054(2) Uani 1 1 d . . . . . H28 H 0.094359 1.081727 0.237945 0.065 Uiso 1 1 calc R . . . . C22 C 0.7966(8) 0.5703(7) 0.2072(4) 0.055(2) Uani 1 1 d . . . . . H22A H 0.741857 0.570912 0.185265 0.082 Uiso 1 1 calc GR . . . . H22B H 0.855044 0.567707 0.188057 0.082 Uiso 1 1 calc GR . . . . H22C H 0.796334 0.627975 0.227092 0.082 Uiso 1 1 calc GR . . . . N5 N 0.4109(6) 0.9006(6) 0.3877(3) 0.052(2) Uani 1 1 d . . . . . C8 C 0.7064(6) 0.7385(6) 0.3270(3) 0.043(2) Uani 1 1 d . . . . . C13 C 0.7028(7) 0.8225(7) 0.2943(3) 0.053(2) Uani 1 1 d . . . . . H13A H 0.668560 0.806091 0.264402 0.080 Uiso 1 1 calc GR . . . . H13B H 0.767448 0.842148 0.286031 0.080 Uiso 1 1 calc GR . . . . H13C H 0.670115 0.874581 0.310808 0.080 Uiso 1 1 calc GR . . . . C20 C 0.7756(7) 0.3247(7) 0.3005(3) 0.053(2) Uani 1 1 d . . . . . H20 H 0.771665 0.269823 0.320398 0.064 Uiso 1 1 calc R . . . . C10 C 0.7961(7) 0.6140(8) 0.3658(4) 0.057(2) Uani 1 1 d . . . . . H10 H 0.854196 0.581035 0.369942 0.069 Uiso 1 1 calc R . . . . C19 C 0.8516(7) 0.3368(7) 0.2704(3) 0.055(2) Uani 1 1 d . . . . . H19 H 0.899564 0.289595 0.269871 0.066 Uiso 1 1 calc R . . . . C23 C 0.6213(8) 0.3807(7) 0.3357(3) 0.050(2) Uani 1 1 d . . . . . H23A H 0.631524 0.418674 0.365069 0.075 Uiso 1 1 calc GR . . . . H23B H 0.614255 0.313880 0.344704 0.075 Uiso 1 1 calc GR . . . . H23C H 0.563727 0.402334 0.319149 0.075 Uiso 1 1 calc GR . . . . C9 C 0.7913(7) 0.6883(8) 0.3336(4) 0.054(2) Uani 1 1 d . . . . . H9 H 0.845978 0.705931 0.315617 0.065 Uiso 1 1 calc R . . . . C15 C 0.5873(6) 0.5962(6) 0.2645(3) 0.0401(16) Uani 1 1 d . . . . . C18 C 0.8617(7) 0.4164(7) 0.2400(3) 0.053(2) Uani 1 1 d . . . . . H18 H 0.915887 0.423441 0.219849 0.064 Uiso 1 1 calc R . . . . C24 C 0.4377(8) 0.9059(7) 0.3428(4) 0.056(2) Uani 1 1 d . . . . . C25 C 0.3601(8) 0.8150(9) 0.4071(3) 0.063(3) Uani 1 1 d . . . . . H25A H 0.341214 0.774041 0.379992 0.094 Uiso 1 1 calc GR . . . . H25B H 0.303671 0.835165 0.425094 0.094 Uiso 1 1 calc GR . . . . H25C H 0.402364 0.779897 0.428945 0.094 Uiso 1 1 calc GR . . . . C14 C 0.5446(7) 0.6048(7) 0.4149(3) 0.052(2) Uani 1 1 d . . . . . H14A H 0.517630 0.661166 0.430392 0.077 Uiso 1 1 calc GR . . . . H14B H 0.562511 0.558726 0.439902 0.077 Uiso 1 1 calc GR . . . . H14C H 0.497571 0.576521 0.393044 0.077 Uiso 1 1 calc GR . . . . C26 C 0.4395(9) 0.9671(9) 0.4239(4) 0.075(4) Uani 1 1 d . . . . . H26A H 0.508770 0.968224 0.425958 0.112 Uiso 1 1 calc GR . . . . H26B H 0.413056 0.948395 0.455459 0.112 Uiso 1 1 calc GR . . . . H26C H 0.416208 1.030216 0.415178 0.112 Uiso 1 1 calc GR . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.04464(19) 0.03219(16) 0.03412(15) -0.00060(13) -0.00693(15) -0.00266(12) Cl1 0.0728(15) 0.0503(11) 0.0358(9) -0.0074(8) -0.0107(10) 0.0061(11) N2 0.041(4) 0.040(4) 0.043(4) -0.004(3) -0.005(3) 0.002(3) N1 0.041(4) 0.030(3) 0.046(4) 0.009(3) -0.007(3) 0.000(3) C16 0.053(5) 0.048(5) 0.026(3) -0.002(3) -0.011(3) 0.006(4) N3 0.038(4) 0.043(4) 0.031(3) -0.006(3) -0.003(3) -0.005(3) O1 0.068(5) 0.050(4) 0.080(5) 0.001(4) -0.001(4) -0.004(4) C1 0.041(5) 0.050(5) 0.046(5) 0.009(4) -0.006(4) -0.008(4) C7 0.044(5) 0.045(5) 0.040(4) -0.009(4) -0.003(4) -0.002(4) C6 0.043(5) 0.034(4) 0.048(4) -0.006(3) 0.002(4) -0.011(4) C3 0.041(5) 0.045(5) 0.051(5) 0.017(4) 0.003(4) -0.009(4) C2 0.048(5) 0.050(5) 0.048(5) 0.016(4) -0.007(4) -0.010(4) C29 0.039(5) 0.043(5) 0.071(6) 0.010(4) -0.001(4) 0.002(4) C5 0.042(5) 0.030(4) 0.046(4) 0.005(3) -0.005(3) -0.006(3) C27 0.044(5) 0.045(5) 0.060(5) 0.025(4) -0.003(4) 0.001(4) C17 0.061(5) 0.040(4) 0.045(4) -0.009(4) -0.022(4) 0.002(4) C30 0.038(5) 0.049(5) 0.060(5) 0.009(4) -0.005(4) 0.001(4) C12 0.051(5) 0.040(5) 0.041(4) -0.007(4) -0.006(4) -0.004(3) C21 0.059(6) 0.038(4) 0.043(4) -0.008(4) -0.023(4) 0.004(4) C4 0.038(4) 0.040(4) 0.052(5) 0.010(4) -0.002(4) -0.009(3) N4 0.048(4) 0.036(4) 0.041(3) 0.001(3) -0.010(3) 0.013(3) C11 0.058(6) 0.048(5) 0.055(6) -0.009(4) -0.019(5) 0.000(4) C28 0.038(4) 0.047(5) 0.077(6) 0.023(5) 0.001(5) 0.003(3) C22 0.063(6) 0.054(6) 0.047(5) 0.001(4) -0.002(5) -0.002(5) N5 0.057(5) 0.055(5) 0.043(4) -0.006(4) -0.002(4) 0.012(4) C8 0.037(4) 0.050(5) 0.041(4) -0.012(4) -0.006(3) -0.003(4) C13 0.045(5) 0.063(6) 0.053(5) -0.007(5) 0.003(4) -0.017(5) C20 0.062(6) 0.050(5) 0.047(5) -0.001(4) -0.013(4) 0.003(5) C10 0.048(6) 0.060(6) 0.064(6) -0.025(5) -0.017(5) 0.010(4) C19 0.055(6) 0.051(6) 0.060(5) -0.008(5) -0.025(5) 0.015(4) C23 0.069(6) 0.041(5) 0.040(4) -0.001(4) -0.011(4) -0.003(4) C9 0.042(5) 0.066(6) 0.054(5) -0.025(5) -0.003(4) 0.003(5) C15 0.054(6) 0.038(5) 0.029(3) -0.005(3) -0.003(3) -0.007(3) C18 0.049(5) 0.061(6) 0.049(5) -0.009(4) -0.011(4) 0.007(4) C24 0.056(6) 0.046(5) 0.066(6) 0.005(5) -0.005(5) -0.003(5) C25 0.065(6) 0.078(7) 0.046(5) 0.015(5) 0.005(5) -0.002(6) C14 0.061(6) 0.052(5) 0.042(5) 0.003(4) -0.011(4) -0.011(4) C26 0.078(8) 0.080(9) 0.065(7) -0.032(6) -0.016(6) 0.032(7) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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' Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 Pt1 Cl1 95.1(2) . . ? C6 Pt1 Cl1 169.4(2) . . ? C6 Pt1 N1 80.8(3) . . ? C15 Pt1 Cl1 86.6(2) . . ? C15 Pt1 N1 177.2(3) . . ? C15 Pt1 C6 97.8(3) . . ? C6 N2 C24 111.3(7) . . ? C5 N2 C6 117.0(7) . . ? C5 N2 C24 122.9(7) . . ? C1 N1 Pt1 124.1(6) . . ? C5 N1 Pt1 115.0(5) . . ? C5 N1 C1 120.9(7) . . ? C21 C16 C17 124.5(8) . . ? C21 C16 N4 119.5(9) . . ? N4 C16 C17 115.9(8) . . ? C6 N3 C7 123.5(7) . . ? N1 C1 H1 119.0 . . ? C2 C1 N1 121.9(9) . . ? C2 C1 H1 119.0 . . ? C12 C7 N3 119.1(8) . . ? C8 C7 N3 118.9(8) . . ? C8 C7 C12 121.6(8) . . ? N2 C6 Pt1 111.7(6) . . ? N3 C6 Pt1 134.3(7) . . ? N3 C6 N2 113.6(7) . . ? C2 C3 C27 122.2(9) . . ? C2 C3 C4 119.5(8) . . ? C4 C3 C27 118.3(9) . . ? C1 C2 C3 119.9(9) . . ? C1 C2 H2 120.1 . . ? C3 C2 H2 120.1 . . ? C30 C29 H29 119.6 . . ? C30 C29 C28 120.8(10) . . ? C28 C29 H29 119.6 . . ? N2 C5 C4 123.4(8) . . ? N1 C5 N2 115.5(7) . . ? N1 C5 C4 121.1(7) . . ? C3 C27 H27 119.5 . . ? C28 C27 C3 121.0(9) . . ? C28 C27 H27 119.5 . . ? C16 C17 C22 121.8(8) . . ? C18 C17 C16 117.1(9) . . ? C18 C17 C22 121.2(9) . . ? C29 C30 H30 119.8 . . ? C29 C30 C4 120.4(9) . . ? C4 C30 H30 119.8 . . ? C7 C12 C14 120.3(9) . . ? C11 C12 C7 118.7(9) . . ? C11 C12 C14 121.0(9) . . ? C16 C21 C23 121.9(8) . . ? C20 C21 C16 116.7(10) . . ? C20 C21 C23 121.3(9) . . ? C3 C4 C5 116.6(8) . . ? C30 C4 C3 118.7(8) . . ? C30 C4 C5 124.6(8) . . ? C15 N4 C16 173.7(9) . . ? C12 C11 H11 120.0 . . ? C12 C11 C10 119.9(10) . . ? C10 C11 H11 120.0 . . ? C29 C28 H28 119.7 . . ? C27 C28 C29 120.6(8) . . ? C27 C28 H28 119.7 . . ? C17 C22 H22A 109.5 . . ? C17 C22 H22B 109.5 . . ? C17 C22 H22C 109.5 . . ? H22A C22 H22B 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C24 N5 C25 121.7(9) . . ? C24 N5 C26 123.0(10) . . ? C26 N5 C25 114.5(9) . . ? C7 C8 C13 121.5(8) . . ? C9 C8 C7 117.9(9) . . ? C9 C8 C13 120.6(9) . . ? C8 C13 H13A 109.5 . . ? C8 C13 H13B 109.5 . . ? C8 C13 H13C 109.5 . . ? H13A C13 H13B 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C21 C20 H20 119.8 . . ? C19 C20 C21 120.4(10) . . ? C19 C20 H20 119.8 . . ? C11 C10 H10 119.6 . . ? C9 C10 C11 120.9(10) . . ? C9 C10 H10 119.6 . . ? C20 C19 H19 118.7 . . ? C20 C19 C18 122.6(9) . . ? C18 C19 H19 118.7 . . ? C21 C23 H23A 109.5 . . ? C21 C23 H23B 109.5 . . ? C21 C23 H23C 109.5 . . ? H23A C23 H23B 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C8 C9 H9 119.6 . . ? C10 C9 C8 120.7(10) . . ? C10 C9 H9 119.6 . . ? N4 C15 Pt1 172.1(7) . . ? C17 C18 C19 118.7(10) . . ? C17 C18 H18 120.7 . . ? C19 C18 H18 120.7 . . ? O1 C24 N2 117.1(10) . . ? O1 C24 N5 124.7(10) . . ? N5 C24 N2 118.2(9) . . ? N5 C25 H25A 109.5 . . ? N5 C25 H25B 109.5 . . ? N5 C25 H25C 109.5 . . ? H25A C25 H25B 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? C12 C14 H14A 109.5 . . ? C12 C14 H14B 109.5 . . ? C12 C14 H14C 109.5 . . ? H14A C14 H14B 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? N5 C26 H26A 109.5 . . ? N5 C26 H26B 109.5 . . ? N5 C26 H26C 109.5 . . ? H26A C26 H26B 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 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 Pt1 Cl1 2.381(2) . ? Pt1 N1 2.039(7) . ? Pt1 C6 1.996(8) . ? Pt1 C15 1.911(9) . ? N2 C6 1.431(11) . ? N2 C5 1.393(10) . ? N2 C24 1.471(13) . ? N1 C1 1.367(11) . ? N1 C5 1.332(11) . ? C16 C17 1.402(13) . ? C16 C21 1.392(13) . ? C16 N4 1.402(10) . ? N3 C7 1.416(11) . ? N3 C6 1.279(11) . ? O1 C24 1.229(12) . ? C1 H1 0.9500 . ? C1 C2 1.344(13) . ? C7 C12 1.412(13) . ? C7 C8 1.405(12) . ? C3 C2 1.405(14) . ? C3 C27 1.428(12) . ? C3 C4 1.427(12) . ? C2 H2 0.9500 . ? C29 H29 0.9500 . ? C29 C30 1.362(12) . ? C29 C28 1.403(14) . ? C5 C4 1.436(11) . ? C27 H27 0.9500 . ? C27 C28 1.341(14) . ? C17 C22 1.515(13) . ? C17 C18 1.383(13) . ? C30 H30 0.9500 . ? C30 C4 1.415(13) . ? C12 C11 1.385(14) . ? C12 C14 1.496(13) . ? C21 C20 1.378(13) . ? C21 C23 1.501(14) . ? N4 C15 1.142(11) . ? C11 H11 0.9500 . ? C11 C10 1.409(15) . ? C28 H28 0.9500 . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? N5 C24 1.292(14) . ? N5 C25 1.504(14) . ? N5 C26 1.427(13) . ? C8 C13 1.489(13) . ? C8 C9 1.404(13) . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C20 H20 0.9500 . ? C20 C19 1.366(15) . ? C10 H10 0.9500 . ? C10 C9 1.375(15) . ? C19 H19 0.9500 . ? C19 C18 1.407(14) . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C9 H9 0.9500 . ? C18 H18 0.9500 . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C26 H26A 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 0.9800 . ? 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 Pt1 N1 C1 C2 -179.8(7) . . . . ? Pt1 N1 C5 N2 -0.3(9) . . . . ? Pt1 N1 C5 C4 -179.2(6) . . . . ? N2 C5 C4 C3 -179.4(8) . . . . ? N2 C5 C4 C30 -1.8(14) . . . . ? N1 C1 C2 C3 -1.7(13) . . . . ? N1 C5 C4 C3 -0.6(12) . . . . ? N1 C5 C4 C30 177.0(8) . . . . ? C16 C17 C18 C19 1.2(12) . . . . ? C16 C21 C20 C19 0.9(13) . . . . ? N3 C7 C12 C11 -175.5(8) . . . . ? N3 C7 C12 C14 3.6(12) . . . . ? N3 C7 C8 C13 -2.4(12) . . . . ? N3 C7 C8 C9 177.2(7) . . . . ? C1 N1 C5 N2 177.6(7) . . . . ? C1 N1 C5 C4 -1.3(12) . . . . ? C7 N3 C6 Pt1 2.3(13) . . . . ? C7 N3 C6 N2 -169.9(7) . . . . ? C7 C12 C11 C10 -0.3(13) . . . . ? C7 C8 C9 C10 -3.3(13) . . . . ? C6 N2 C5 N1 2.6(11) . . . . ? C6 N2 C5 C4 -178.5(8) . . . . ? C6 N2 C24 O1 89.6(11) . . . . ? C6 N2 C24 N5 -90.1(11) . . . . ? C6 N3 C7 C12 -112.2(9) . . . . ? C6 N3 C7 C8 75.1(11) . . . . ? C3 C27 C28 C29 -1.2(14) . . . . ? C2 C3 C27 C28 178.0(9) . . . . ? C2 C3 C4 C5 1.4(12) . . . . ? C2 C3 C4 C30 -176.4(8) . . . . ? C29 C30 C4 C3 -2.0(13) . . . . ? C29 C30 C4 C5 -179.6(9) . . . . ? C5 N2 C6 Pt1 -3.7(9) . . . . ? C5 N2 C6 N3 170.3(7) . . . . ? C5 N2 C24 O1 -56.8(13) . . . . ? C5 N2 C24 N5 123.5(10) . . . . ? C5 N1 C1 C2 2.5(13) . . . . ? C27 C3 C2 C1 -179.1(8) . . . . ? C27 C3 C4 C5 -179.8(8) . . . . ? C27 C3 C4 C30 2.4(12) . . . . ? C17 C16 C21 C20 -0.8(13) . . . . ? C17 C16 C21 C23 178.9(8) . . . . ? C30 C29 C28 C27 1.7(14) . . . . ? C12 C7 C8 C13 -174.9(8) . . . . ? C12 C7 C8 C9 4.7(12) . . . . ? C12 C11 C10 C9 1.6(14) . . . . ? C21 C16 C17 C22 179.3(8) . . . . ? C21 C16 C17 C18 -0.2(13) . . . . ? C21 C20 C19 C18 0.0(15) . . . . ? C4 C3 C2 C1 -0.3(13) . . . . ? C4 C3 C27 C28 -0.8(13) . . . . ? N4 C16 C17 C22 1.5(12) . . . . ? N4 C16 C17 C18 -178.0(8) . . . . ? N4 C16 C21 C20 176.9(8) . . . . ? N4 C16 C21 C23 -3.3(13) . . . . ? C11 C10 C9 C8 0.2(14) . . . . ? C28 C29 C30 C4 -0.1(14) . . . . ? C22 C17 C18 C19 -178.4(8) . . . . ? C8 C7 C12 C11 -2.9(12) . . . . ? C8 C7 C12 C14 176.1(8) . . . . ? C13 C8 C9 C10 176.3(8) . . . . ? C20 C19 C18 C17 -1.1(14) . . . . ? C23 C21 C20 C19 -178.9(9) . . . . ? C24 N2 C6 Pt1 -152.3(6) . . . . ? C24 N2 C6 N3 21.7(10) . . . . ? C24 N2 C5 N1 147.3(8) . . . . ? C24 N2 C5 C4 -33.8(13) . . . . ? C25 N5 C24 N2 2.1(15) . . . . ? C25 N5 C24 O1 -177.6(10) . . . . ? C14 C12 C11 C10 -179.4(8) . . . . ? C26 N5 C24 N2 172.0(9) . . . . ? C26 N5 C24 O1 -7.6(17) . . . . ?