Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2007 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'Zhong-Ning Chen' _publ_contact_author_address ; State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter, CAS Yangqiao Xilu 155 Fuzhou Fujian 350002 CHINA ; _publ_contact_author_email CZN@FJIRSM.AC.CN _publ_section_title ; Photophysical and Sensing Properties to Anions for Platinum(II) Terpyridyl Complexes with Phenolic Ethynyl Ligands ; loop_ _publ_author_name 'Zhong-Ning Chen' 'Feng-Rong Dai' 'Yang Fan' 'Li-Yi Zhang' 'Yue-Mei Zhu' data_1 _database_code_depnum_ccdc_archive 'CCDC 648284' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C36 H40 N3 O2 Pt, F6 P' _chemical_formula_sum 'C36 H40 F6 N3 O2 P Pt' _chemical_formula_weight 886.77 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' 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' F F 0.0171 0.0103 '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' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M P21/c _symmetry_space_group_name_Hall '-P 2ybc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 10.196(3) _cell_length_b 18.758(5) _cell_length_c 19.849(5) _cell_angle_alpha 90.00 _cell_angle_beta 109.065(13) _cell_angle_gamma 90.00 _cell_volume 3588.0(17) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 7168 _cell_measurement_theta_min 2.1711 _cell_measurement_theta_max 27.4835 _exptl_crystal_description Prism _exptl_crystal_colour Orange _exptl_crystal_size_max 0.2800 _exptl_crystal_size_mid 0.0600 _exptl_crystal_size_min 0.0400 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.642 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1760 _exptl_absorpt_coefficient_mu 4.022 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.7965 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details ? _exptl_special_details ; ???? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method CCD_Profile_fitting _diffrn_detector_area_resol_mean 28.5714 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 27356 _diffrn_reflns_av_R_equivalents 0.0471 _diffrn_reflns_av_sigmaI/netI 0.0515 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 2.11 _diffrn_reflns_theta_max 27.50 _reflns_number_total 8193 _reflns_number_gt 6312 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrystalClear (Rigaku/MSC Inc., 2005)' _computing_cell_refinement 'CrystalClear (Rigaku/MSC Inc., 2005)' _computing_data_reduction 'CrystalClear (Rigaku/MSC Inc., 2005)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. The disorder of tert-butyl methyl group at C24 were refined into two partial-occupancy orientations and the occupancy factors were refined to 0.51(4) and 0.49(4). The C-C distances of two sites were refined with SADI=0.02 restraint. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1143P)^2^+4.3890P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0070(6) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 8193 _refine_ls_number_parameters 483 _refine_ls_number_restraints 30 _refine_ls_R_factor_all 0.0849 _refine_ls_R_factor_gt 0.0617 _refine_ls_wR_factor_ref 0.2055 _refine_ls_wR_factor_gt 0.1683 _refine_ls_goodness_of_fit_ref 1.086 _refine_ls_restrained_S_all 1.084 _refine_ls_shift/su_max 0.022 _refine_ls_shift/su_mean 0.001 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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 1.00904(3) 0.005772(15) 0.106054(16) 0.04911(18) Uani 1 1 d . . . P1 P 0.5228(3) 0.2328(2) 0.13292(17) 0.0857(8) Uani 1 1 d . . . O1 O 0.8653(12) -0.4497(4) 0.1155(6) 0.145(4) Uani 1 1 d . . . H1A H 0.9152 -0.4684 0.1523 0.218 Uiso 1 1 calc R . . O2 O 1.0660(10) -0.4541(5) 0.2364(6) 0.134(4) Uani 1 1 d . . . N1 N 0.8330(7) 0.0267(3) 0.0240(3) 0.0489(14) Uani 1 1 d . . . N2 N 1.0087(6) 0.1107(4) 0.1118(3) 0.0491(16) Uani 1 1 d . . . N3 N 1.1801(7) 0.0199(4) 0.1931(4) 0.0517(15) Uani 1 1 d . . . F1 F 0.3941(12) 0.1924(9) 0.0881(7) 0.214(6) Uani 1 1 d . . . F2 F 0.4689(16) 0.2258(9) 0.1950(6) 0.256(9) Uani 1 1 d . . . F3 F 0.6517(11) 0.2686(8) 0.1807(6) 0.228(6) Uani 1 1 d . . . F4 F 0.5667(17) 0.2437(9) 0.0688(7) 0.252(7) Uani 1 1 d . . . F5 F 0.4566(19) 0.3029(9) 0.1165(10) 0.273(9) Uani 1 1 d . . . F6 F 0.590(2) 0.1612(9) 0.1447(13) 0.322(12) Uani 1 1 d . . . C1 C 0.7470(9) -0.0191(4) -0.0208(5) 0.0531(18) Uani 1 1 d . . . H1B H 0.7703 -0.0672 -0.0178 0.064 Uiso 1 1 calc R . . C2 C 0.6266(13) 0.0022(4) -0.0704(6) 0.061(2) Uani 1 1 d . . . H2 H 0.5696 -0.0315 -0.1004 0.073 Uiso 1 1 calc R . . C3 C 0.5869(9) 0.0737(5) -0.0772(5) 0.060(2) Uani 1 1 d . . . C4 C 0.6813(8) 0.1208(4) -0.0327(4) 0.0524(18) Uani 1 1 d . . . H4 H 0.6617 0.1694 -0.0369 0.063 Uiso 1 1 calc R . . C5 C 0.8023(8) 0.0984(4) 0.0171(4) 0.0510(17) Uani 1 1 d . . . C6 C 0.9024(8) 0.1461(4) 0.0672(4) 0.0487(17) Uani 1 1 d . . . C7 C 0.9003(9) 0.2196(4) 0.0720(5) 0.056(2) Uani 1 1 d . . . H7 H 0.8283 0.2452 0.0403 0.068 Uiso 1 1 calc R . . C8 C 1.0026(8) 0.2549(4) 0.1229(5) 0.0518(18) Uani 1 1 d . . . C9 C 1.1121(8) 0.2153(4) 0.1682(4) 0.0560(19) Uani 1 1 d . . . H9 H 1.1846 0.2384 0.2023 0.067 Uiso 1 1 calc R . . C10 C 1.1127(8) 0.1418(4) 0.1625(5) 0.0540(19) Uani 1 1 d . . . C11 C 1.2122(8) 0.0902(4) 0.2089(5) 0.0563(19) Uani 1 1 d . . . C12 C 1.3242(8) 0.1086(4) 0.2655(4) 0.0549(19) Uani 1 1 d . . . H12 H 1.3453 0.1565 0.2754 0.066 Uiso 1 1 calc R . . C13 C 1.4088(9) 0.0562(5) 0.3095(5) 0.061(2) Uani 1 1 d . A . C14 C 1.3737(11) -0.0129(5) 0.2925(6) 0.067(3) Uani 1 1 d . . . H14 H 1.4270 -0.0491 0.3202 0.080 Uiso 1 1 calc R . . C15 C 1.2596(9) -0.0302(5) 0.2343(5) 0.063(2) Uani 1 1 d . . . H15 H 1.2379 -0.0779 0.2237 0.076 Uiso 1 1 calc R . . C16 C 0.4536(10) 0.1011(5) -0.1301(5) 0.064(2) Uani 1 1 d . . . C17 C 0.3591(14) 0.0403(8) -0.1688(8) 0.124(5) Uani 1 1 d . . . H17A H 0.4126 0.0057 -0.1843 0.185 Uiso 1 1 calc R . . H17B H 0.2873 0.0589 -0.2094 0.185 Uiso 1 1 calc R . . H17C H 0.3180 0.0180 -0.1370 0.185 Uiso 1 1 calc R . . C18 C 0.4910(13) 0.1482(8) -0.1853(6) 0.100(4) Uani 1 1 d . . . H18A H 0.5358 0.1910 -0.1626 0.150 Uiso 1 1 calc R . . H18B H 0.4080 0.1603 -0.2234 0.150 Uiso 1 1 calc R . . H18C H 0.5526 0.1225 -0.2042 0.150 Uiso 1 1 calc R . . C19 C 0.3759(11) 0.1471(8) -0.0903(7) 0.101(4) Uani 1 1 d . . . H19A H 0.3650 0.1204 -0.0512 0.151 Uiso 1 1 calc R . . H19B H 0.2863 0.1600 -0.1226 0.151 Uiso 1 1 calc R . . H19C H 0.4285 0.1896 -0.0725 0.151 Uiso 1 1 calc R . . C20 C 1.0021(9) 0.3363(4) 0.1325(5) 0.060(2) Uani 1 1 d . . . C21 C 0.8808(14) 0.3693(5) 0.0706(8) 0.118(6) Uani 1 1 d . . . H21A H 0.8982 0.3627 0.0263 0.177 Uiso 1 1 calc R . . H21B H 0.8741 0.4194 0.0791 0.177 Uiso 1 1 calc R . . H21C H 0.7953 0.3463 0.0682 0.177 Uiso 1 1 calc R . . C22 C 0.9815(14) 0.3518(6) 0.2043(7) 0.099(4) Uani 1 1 d . . . H22A H 0.8899 0.3376 0.2022 0.148 Uiso 1 1 calc R . . H22B H 0.9931 0.4020 0.2143 0.148 Uiso 1 1 calc R . . H22C H 1.0488 0.3257 0.2413 0.148 Uiso 1 1 calc R . . C23 C 1.1391(11) 0.3691(5) 0.1326(7) 0.086(3) Uani 1 1 d . . . H23A H 1.2148 0.3408 0.1618 0.129 Uiso 1 1 calc R . . H23B H 1.1467 0.4167 0.1513 0.129 Uiso 1 1 calc R . . H23C H 1.1421 0.3704 0.0848 0.129 Uiso 1 1 calc R . . C24 C 1.5370(9) 0.0751(5) 0.3720(5) 0.067(2) Uani 1 1 d D . . C25 C 1.637(3) 0.1153(19) 0.3440(10) 0.119(17) Uani 0.49(4) 1 d PD A 1 H25A H 1.6137 0.1651 0.3406 0.178 Uiso 0.49(4) 1 calc PR A 1 H25B H 1.6302 0.0974 0.2977 0.178 Uiso 0.49(4) 1 calc PR A 1 H25C H 1.7297 0.1089 0.3759 0.178 Uiso 0.49(4) 1 calc PR A 1 C27 C 1.494(3) 0.1224(17) 0.4225(13) 0.110(15) Uani 0.49(4) 1 d PD A 1 H27A H 1.4159 0.1016 0.4322 0.165 Uiso 0.49(4) 1 calc PR A 1 H27B H 1.4688 0.1685 0.4014 0.165 Uiso 0.49(4) 1 calc PR A 1 H27C H 1.5699 0.1271 0.4663 0.165 Uiso 0.49(4) 1 calc PR A 1 C29 C 1.611(4) 0.0104(11) 0.4132(16) 0.114(14) Uani 0.49(4) 1 d PD A 1 H29A H 1.5464 -0.0186 0.4265 0.170 Uiso 0.49(4) 1 calc PR A 1 H29B H 1.6836 0.0259 0.4552 0.170 Uiso 0.49(4) 1 calc PR A 1 H29C H 1.6513 -0.0168 0.3838 0.170 Uiso 0.49(4) 1 calc PR A 1 C26 C 1.552(4) 0.1547(9) 0.3862(17) 0.18(3) Uani 0.51(4) 1 d PD A 2 H26A H 1.6484 0.1672 0.4031 0.272 Uiso 0.51(4) 1 calc PR A 2 H26B H 1.5101 0.1671 0.4215 0.272 Uiso 0.51(4) 1 calc PR A 2 H26C H 1.5062 0.1801 0.3429 0.272 Uiso 0.51(4) 1 calc PR A 2 C28 C 1.533(4) 0.0379(19) 0.4385(10) 0.14(2) Uani 0.51(4) 1 d PD A 2 H28A H 1.5798 0.0664 0.4794 0.207 Uiso 0.51(4) 1 calc PR A 2 H28B H 1.5779 -0.0076 0.4425 0.207 Uiso 0.51(4) 1 calc PR A 2 H28C H 1.4380 0.0311 0.4360 0.207 Uiso 0.51(4) 1 calc PR A 2 C30 C 1.664(2) 0.050(2) 0.3546(18) 0.135(18) Uani 0.51(4) 1 d PD A 2 H30A H 1.6469 0.0551 0.3043 0.203 Uiso 0.51(4) 1 calc PR A 2 H30B H 1.6825 0.0014 0.3684 0.203 Uiso 0.51(4) 1 calc PR A 2 H30C H 1.7421 0.0792 0.3802 0.203 Uiso 0.51(4) 1 calc PR A 2 C31 C 1.0072(8) -0.1007(6) 0.1022(4) 0.060(2) Uani 1 1 d . . . C32 C 1.0013(8) -0.1606(5) 0.1011(4) 0.0519(19) Uani 1 1 d . . . C33 C 0.9759(11) -0.2375(5) 0.1058(5) 0.062(2) Uani 1 1 d . . . C34 C 0.8692(11) -0.2713(5) 0.0531(6) 0.078(3) Uani 1 1 d . . . H34 H 0.8197 -0.2446 0.0134 0.093 Uiso 1 1 calc R . . C35 C 0.8325(14) -0.3405(6) 0.0555(7) 0.095(4) Uani 1 1 d . . . H35 H 0.7600 -0.3604 0.0188 0.114 Uiso 1 1 calc R . . C36 C 0.9047(14) -0.3800(6) 0.1133(8) 0.091(4) Uani 1 1 d . . . C37 C 1.0157(12) -0.3505(6) 0.1681(7) 0.080(3) Uani 1 1 d . . . C38 C 1.0513(10) -0.2786(5) 0.1631(5) 0.066(2) Uani 1 1 d . . . H38 H 1.1260 -0.2587 0.1986 0.079 Uiso 1 1 calc R . . C39 C 1.0931(13) -0.3899(7) 0.2287(8) 0.102(4) Uani 1 1 d . . . H39A H 1.1657 -0.3679 0.2636 0.122 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.0519(3) 0.0358(2) 0.0578(3) 0.00145(11) 0.01538(16) 0.00020(11) P1 0.0727(18) 0.102(2) 0.0800(19) -0.0092(17) 0.0212(14) 0.0010(16) O1 0.213(11) 0.040(4) 0.221(12) -0.013(5) 0.124(10) -0.028(5) O2 0.154(9) 0.091(6) 0.184(10) 0.074(7) 0.091(8) 0.046(6) N1 0.055(4) 0.034(3) 0.053(4) 0.001(3) 0.012(3) 0.001(3) N2 0.059(4) 0.027(3) 0.059(4) 0.001(2) 0.017(3) -0.002(2) N3 0.049(4) 0.042(3) 0.058(4) 0.005(3) 0.008(3) 0.000(3) F1 0.148(9) 0.290(18) 0.178(11) -0.032(11) 0.017(7) -0.074(10) F2 0.343(19) 0.323(19) 0.145(10) -0.089(11) 0.138(12) -0.200(16) F3 0.140(9) 0.323(17) 0.181(10) -0.054(11) -0.004(7) -0.118(10) F4 0.354(18) 0.279(17) 0.207(13) -0.079(12) 0.207(14) -0.087(15) F5 0.296(18) 0.172(15) 0.35(2) 0.039(14) 0.105(17) 0.116(14) F6 0.28(2) 0.175(14) 0.42(3) 0.001(17) -0.021(19) 0.127(14) C1 0.054(5) 0.038(4) 0.059(5) -0.007(3) 0.007(4) -0.003(3) C2 0.080(7) 0.043(5) 0.057(5) -0.008(3) 0.021(5) -0.010(4) C3 0.060(5) 0.059(5) 0.058(5) -0.009(4) 0.015(4) -0.015(4) C4 0.056(5) 0.040(4) 0.055(4) 0.003(3) 0.011(3) -0.001(3) C5 0.053(4) 0.033(4) 0.063(5) 0.003(3) 0.013(4) -0.002(3) C6 0.047(4) 0.039(4) 0.054(4) 0.007(3) 0.009(3) 0.002(3) C7 0.060(5) 0.035(4) 0.065(5) 0.004(3) 0.008(4) 0.000(3) C8 0.043(4) 0.038(4) 0.069(5) 0.000(3) 0.011(3) 0.000(3) C9 0.047(4) 0.041(4) 0.068(5) -0.008(3) 0.003(4) -0.006(3) C10 0.045(4) 0.039(4) 0.071(5) 0.003(3) 0.009(4) -0.004(3) C11 0.046(4) 0.040(4) 0.079(6) -0.005(4) 0.016(4) -0.005(3) C12 0.045(4) 0.050(4) 0.064(5) 0.004(4) 0.010(4) 0.006(3) C13 0.059(5) 0.064(6) 0.063(5) -0.002(4) 0.022(4) 0.006(4) C14 0.057(6) 0.060(6) 0.076(6) 0.018(5) 0.011(5) 0.016(4) C15 0.061(5) 0.042(4) 0.082(6) 0.012(4) 0.015(4) 0.009(4) C16 0.074(6) 0.052(5) 0.065(5) -0.002(4) 0.019(4) -0.003(4) C17 0.095(9) 0.088(9) 0.139(12) -0.027(9) -0.030(8) -0.012(8) C18 0.093(8) 0.111(10) 0.086(8) 0.025(7) 0.014(6) 0.036(7) C19 0.064(7) 0.121(11) 0.110(10) -0.010(8) 0.020(6) -0.009(6) C20 0.065(5) 0.038(4) 0.072(6) -0.001(4) 0.014(4) -0.004(4) C21 0.114(10) 0.036(5) 0.153(13) 0.002(6) -0.025(9) 0.009(6) C22 0.142(12) 0.047(5) 0.119(10) 0.000(6) 0.060(9) 0.000(6) C23 0.091(8) 0.052(6) 0.118(9) 0.001(5) 0.038(7) -0.017(5) C24 0.060(5) 0.068(6) 0.063(5) 0.012(4) 0.007(4) 0.007(4) C25 0.12(2) 0.16(4) 0.037(11) 0.008(15) -0.019(12) -0.08(2) C27 0.078(17) 0.13(3) 0.09(2) -0.04(2) -0.012(13) 0.033(17) C29 0.13(3) 0.09(2) 0.08(2) 0.007(15) 0.00(2) 0.053(18) C26 0.30(6) 0.09(2) 0.09(3) -0.032(18) -0.03(3) 0.04(3) C28 0.14(3) 0.16(4) 0.059(15) 0.006(19) -0.032(16) -0.07(3) C30 0.038(12) 0.16(4) 0.20(4) -0.05(3) 0.031(15) 0.004(16) C31 0.061(6) 0.052(6) 0.068(6) -0.001(4) 0.022(5) -0.003(4) C32 0.057(5) 0.045(5) 0.050(4) -0.004(3) 0.014(4) 0.011(3) C33 0.086(6) 0.040(4) 0.067(6) -0.007(4) 0.032(5) 0.002(4) C34 0.092(7) 0.064(6) 0.073(6) -0.004(5) 0.022(5) -0.008(5) C35 0.119(10) 0.065(7) 0.104(9) -0.037(6) 0.042(8) -0.029(7) C36 0.110(10) 0.049(6) 0.140(12) -0.006(6) 0.077(9) -0.007(6) C37 0.082(7) 0.058(6) 0.105(9) 0.020(6) 0.039(6) 0.020(5) C38 0.074(6) 0.044(5) 0.080(6) -0.003(4) 0.027(5) 0.002(4) C39 0.095(9) 0.088(9) 0.129(11) 0.037(8) 0.048(8) 0.028(7) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 N2 1.972(7) . ? Pt1 C31 1.998(10) . ? Pt1 N1 2.030(7) . ? Pt1 N3 2.032(7) . ? P1 F5 1.465(13) . ? P1 F6 1.492(13) . ? P1 F4 1.495(10) . ? P1 F3 1.505(9) . ? P1 F2 1.510(11) . ? P1 F1 1.525(11) . ? O1 C36 1.372(12) . ? O1 H1A 0.8200 . ? O2 C39 1.255(15) . ? N1 C1 1.337(10) . ? N1 C5 1.377(9) . ? N2 C6 1.331(9) . ? N2 C10 1.334(10) . ? N3 C15 1.332(11) . ? N3 C11 1.371(10) . ? C1 C2 1.359(14) . ? C1 H1B 0.9300 . ? C2 C3 1.395(11) . ? C2 H2 0.9300 . ? C3 C4 1.390(10) . ? C3 C16 1.511(13) . ? C4 C5 1.371(10) . ? C4 H4 0.9300 . ? C5 C6 1.472(10) . ? C6 C7 1.383(10) . ? C7 C8 1.363(11) . ? C7 H7 0.9300 . ? C8 C9 1.397(11) . ? C8 C20 1.539(11) . ? C9 C10 1.383(10) . ? C9 H9 0.9300 . ? C10 C11 1.485(11) . ? C11 C12 1.360(11) . ? C12 C13 1.407(11) . ? C12 H12 0.9300 . ? C13 C14 1.358(13) . ? C13 C24 1.521(12) . ? C14 C15 1.382(14) . ? C14 H14 0.9300 . ? C15 H15 0.9300 . ? C16 C17 1.528(14) . ? C16 C18 1.550(15) . ? C16 C19 1.551(15) . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 C23 1.526(13) . ? C20 C22 1.535(15) . ? C20 C21 1.560(14) . ? C21 H21A 0.9600 . ? C21 H21B 0.9600 . ? C21 H21C 0.9600 . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? C23 H23A 0.9600 . ? C23 H23B 0.9600 . ? C23 H23C 0.9600 . ? C24 C28 1.506(14) . ? C24 C25 1.510(14) . ? C24 C27 1.508(15) . ? C24 C30 1.514(14) . ? C24 C26 1.518(15) . ? C24 C29 1.519(14) . ? C25 H25A 0.9600 . ? C25 H25B 0.9600 . ? C25 H25C 0.9600 . ? C27 H27A 0.9600 . ? C27 H27B 0.9600 . ? C27 H27C 0.9600 . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C26 H26A 0.9600 . ? C26 H26B 0.9600 . ? C26 H26C 0.9600 . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 C32 1.126(14) . ? C32 C33 1.474(12) . ? C33 C38 1.382(13) . ? C33 C34 1.391(13) . ? C34 C35 1.357(14) . ? C34 H34 0.9300 . ? C35 C36 1.362(17) . ? C35 H35 0.9300 . ? C36 C37 1.402(17) . ? C37 C38 1.408(13) . ? C37 C39 1.413(15) . ? C38 H38 0.9300 . ? C39 H39A 0.9300 . ? 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 N2 Pt1 C31 178.5(3) . . ? N2 Pt1 N1 80.5(3) . . ? C31 Pt1 N1 99.7(3) . . ? N2 Pt1 N3 80.7(3) . . ? C31 Pt1 N3 99.1(3) . . ? N1 Pt1 N3 161.0(3) . . ? F5 P1 F6 176.2(13) . . ? F5 P1 F4 86.1(10) . . ? F6 P1 F4 90.4(12) . . ? F5 P1 F3 89.1(10) . . ? F6 P1 F3 92.3(10) . . ? F4 P1 F3 91.8(8) . . ? F5 P1 F2 89.7(11) . . ? F6 P1 F2 93.8(13) . . ? F4 P1 F2 175.4(11) . . ? F3 P1 F2 90.1(7) . . ? F5 P1 F1 94.0(10) . . ? F6 P1 F1 84.8(10) . . ? F4 P1 F1 90.6(8) . . ? F3 P1 F1 176.2(9) . . ? F2 P1 F1 87.7(7) . . ? C36 O1 H1A 109.5 . . ? C1 N1 C5 118.9(7) . . ? C1 N1 Pt1 128.7(6) . . ? C5 N1 Pt1 112.4(5) . . ? C6 N2 C10 123.9(7) . . ? C6 N2 Pt1 118.4(5) . . ? C10 N2 Pt1 117.7(5) . . ? C15 N3 C11 119.1(8) . . ? C15 N3 Pt1 127.7(7) . . ? C11 N3 Pt1 113.2(5) . . ? N1 C1 C2 122.3(8) . . ? N1 C1 H1B 118.8 . . ? C2 C1 H1B 118.8 . . ? C1 C2 C3 121.1(8) . . ? C1 C2 H2 119.5 . . ? C3 C2 H2 119.5 . . ? C4 C3 C2 115.6(9) . . ? C4 C3 C16 120.3(8) . . ? C2 C3 C16 124.1(8) . . ? C5 C4 C3 122.4(8) . . ? C5 C4 H4 118.8 . . ? C3 C4 H4 118.8 . . ? C4 C5 N1 119.5(7) . . ? C4 C5 C6 124.2(7) . . ? N1 C5 C6 116.2(7) . . ? N2 C6 C7 118.6(7) . . ? N2 C6 C5 112.3(7) . . ? C7 C6 C5 129.0(7) . . ? C8 C7 C6 120.7(8) . . ? C8 C7 H7 119.7 . . ? C6 C7 H7 119.7 . . ? C7 C8 C9 118.5(8) . . ? C7 C8 C20 122.7(7) . . ? C9 C8 C20 118.8(7) . . ? C10 C9 C8 120.0(7) . . ? C10 C9 H9 120.0 . . ? C8 C9 H9 120.0 . . ? N2 C10 C9 118.3(7) . . ? N2 C10 C11 113.3(7) . . ? C9 C10 C11 128.2(7) . . ? C12 C11 N3 120.4(8) . . ? C12 C11 C10 124.5(7) . . ? N3 C11 C10 115.0(7) . . ? C11 C12 C13 121.0(8) . . ? C11 C12 H12 119.5 . . ? C13 C12 H12 119.5 . . ? C14 C13 C12 117.0(9) . . ? C14 C13 C24 120.8(8) . . ? C12 C13 C24 122.2(8) . . ? C13 C14 C15 120.9(9) . . ? C13 C14 H14 119.6 . . ? C15 C14 H14 119.6 . . ? N3 C15 C14 121.7(9) . . ? N3 C15 H15 119.2 . . ? C14 C15 H15 119.2 . . ? C3 C16 C17 111.9(9) . . ? C3 C16 C18 108.2(8) . . ? C17 C16 C18 109.3(10) . . ? C3 C16 C19 109.2(8) . . ? C17 C16 C19 109.2(10) . . ? C18 C16 C19 109.1(9) . . ? C16 C17 H17A 109.5 . . ? C16 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C16 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C16 C18 H18A 109.5 . . ? C16 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C16 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C16 C19 H19A 109.5 . . ? C16 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C16 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C23 C20 C22 109.0(9) . . ? C23 C20 C8 111.1(7) . . ? C22 C20 C8 108.1(8) . . ? C23 C20 C21 109.3(9) . . ? C22 C20 C21 110.0(10) . . ? C8 C20 C21 109.3(7) . . ? C20 C21 H21A 109.5 . . ? C20 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C20 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C20 C22 H22A 109.5 . . ? C20 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C20 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C20 C23 H23A 109.5 . . ? C20 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C20 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C28 C24 C25 140.3(14) . . ? C28 C24 C27 65.9(13) . . ? C25 C24 C27 109.1(11) . . ? C28 C24 C30 109.2(11) . . ? C25 C24 C30 48.8(13) . . ? C27 C24 C30 141.8(17) . . ? C28 C24 C26 108.8(11) . . ? C25 C24 C26 62.5(14) . . ? C27 C24 C26 48.0(14) . . ? C30 C24 C26 107.6(12) . . ? C28 C24 C29 46.5(14) . . ? C25 C24 C29 108.6(11) . . ? C27 C24 C29 108.3(11) . . ? C30 C24 C29 64.2(14) . . ? C26 C24 C29 133.1(19) . . ? C28 C24 C13 110.1(11) . . ? C25 C24 C13 108.6(10) . . ? C27 C24 C13 108.7(11) . . ? C30 C24 C13 108.3(13) . . ? C26 C24 C13 112.8(14) . . ? C29 C24 C13 113.5(15) . . ? C24 C25 H25A 109.5 . . ? C24 C25 H25B 109.5 . . ? C24 C25 H25C 109.5 . . ? C24 C27 H27A 109.5 . . ? C24 C27 H27B 109.5 . . ? C24 C27 H27C 109.5 . . ? C24 C29 H29A 109.5 . . ? C24 C29 H29B 109.5 . . ? C24 C29 H29C 109.5 . . ? C24 C26 H26A 109.5 . . ? C24 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? C24 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C24 C28 H28A 109.5 . . ? C24 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C24 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C24 C30 H30A 109.5 . . ? C24 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? C24 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C32 C31 Pt1 176.9(8) . . ? C31 C32 C33 170.4(9) . . ? C38 C33 C34 117.0(9) . . ? C38 C33 C32 122.4(9) . . ? C34 C33 C32 120.6(9) . . ? C35 C34 C33 124.5(11) . . ? C35 C34 H34 117.8 . . ? C33 C34 H34 117.8 . . ? C34 C35 C36 118.1(11) . . ? C34 C35 H35 120.9 . . ? C36 C35 H35 120.9 . . ? C35 C36 O1 117.5(13) . . ? C35 C36 C37 121.0(10) . . ? O1 C36 C37 121.5(13) . . ? C36 C37 C38 119.0(10) . . ? C36 C37 C39 122.6(12) . . ? C38 C37 C39 118.4(12) . . ? C33 C38 C37 120.3(10) . . ? C33 C38 H38 119.8 . . ? C37 C38 H38 119.8 . . ? O2 C39 C37 121.5(14) . . ? O2 C39 H39A 119.3 . . ? C37 C39 H39A 119.3 . . ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 0.994 _refine_diff_density_max 1.797 _refine_diff_density_min -1.718 _refine_diff_density_rms 0.206