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 'Louis Rendina' _publ_contact_author_address ; Chemistry The University of Sydney Sydney NSW 2006 AUSTRALIA ; _publ_contact_author_email RENDINA@CHEM.USYD.EDU.AU _publ_section_title ; Synthesis and Preliminary DNA-Binding Studies of Diimineplatinum(II) Complexes Containing 3- or 4-Pyridineboronic Acid ; loop_ _publ_author_name 'Louis Rendina' 'H. Y. Vincent Ching' 'Jack K. Clegg' data_lj111sad _database_code_depnum_ccdc_archive 'CCDC 631764' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C22 H18 N4 Pt, 2(F6 P)' _chemical_formula_sum 'C22 H18 F12 N4 P2 Pt' _chemical_formula_weight 823.44 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' 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' _symmetry_Int_Tables_number 14 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 8.6210(12) _cell_length_b 25.904(4) _cell_length_c 11.7424(17) _cell_angle_alpha 90.00 _cell_angle_beta 97.255(2) _cell_angle_gamma 90.00 _cell_volume 2601.3(7) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 7313 _cell_measurement_theta_min 2.351 _cell_measurement_theta_max 27.058 _exptl_crystal_description Shard _exptl_crystal_colour colourless _exptl_crystal_size_max 0.280 _exptl_crystal_size_mid 0.187 _exptl_crystal_size_min 0.110 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.103 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1576 _exptl_absorpt_coefficient_mu 5.625 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.307 _exptl_absorpt_correction_T_max 0.539 _exptl_absorpt_process_details 'SADABS (Sheldrick, 2003)' _exptl_special_details ; The crystal was coated in Exxon Paratone N hydrocarbon oil and mounted on a thin mohair fibre attached to a copper pin. Upon mounting on the diffractometer, the crystal was quenched to 150(K) under a cold nitrogen gas stream supplied by an Oxford Cryosystems Cryostream and data were collected at this temperature. ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'BRUKER SMART 1000 CCD' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean ? _diffrn_standards_number 123 _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% 0.00 _diffrn_reflns_number 23301 _diffrn_reflns_av_R_equivalents 0.0601 _diffrn_reflns_av_sigmaI/netI 0.0617 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -33 _diffrn_reflns_limit_k_max 34 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.57 _diffrn_reflns_theta_max 28.28 _reflns_number_total 6151 _reflns_number_gt 5185 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART (Bruker, 1995)' _computing_cell_refinement 'SAINT (Bruker, 1995)' _computing_data_reduction 'SAINT and XPREP (Bruker, 1995)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP-3 (Farrugia, 1997), WINGX-32 (Farrugia, 1999)' _computing_publication_material 'enCIFer 1.0 (CCDC, 2003)' _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. ; _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^)+(0.0033P)^2^+45.0370P] 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 none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6151 _refine_ls_number_parameters 370 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1037 _refine_ls_R_factor_gt 0.0848 _refine_ls_wR_factor_ref 0.1553 _refine_ls_wR_factor_gt 0.1506 _refine_ls_goodness_of_fit_ref 1.385 _refine_ls_restrained_S_all 1.385 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 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 C1 C 0.1324(13) 0.4671(5) 0.2325(9) 0.030(3) Uani 1 1 d . . . H1 H 0.1091 0.4527 0.1578 0.036 Uiso 1 1 calc R . . C2 C 0.0550(12) 0.5115(5) 0.2589(10) 0.030(3) Uani 1 1 d . . . H2 H -0.0183 0.5274 0.2024 0.037 Uiso 1 1 calc R . . C3 C 0.0843(14) 0.5324(5) 0.3667(11) 0.036(3) Uani 1 1 d . . . H3 H 0.0318 0.5629 0.3854 0.043 Uiso 1 1 calc R . . C4 C 0.1922(13) 0.5084(4) 0.4489(10) 0.029(3) Uani 1 1 d . . . C5 C 0.2672(12) 0.4636(4) 0.4145(9) 0.024(2) Uani 1 1 d . . . C6 C 0.2342(14) 0.5268(5) 0.5639(11) 0.037(3) Uani 1 1 d . . . H6 H 0.1875 0.5575 0.5880 0.045 Uiso 1 1 calc R . . C7 C 0.3402(14) 0.5009(6) 0.6388(10) 0.038(3) Uani 1 1 d . . . H7 H 0.3651 0.5135 0.7149 0.045 Uiso 1 1 calc R . . C8 C 0.4144(13) 0.4553(5) 0.6053(10) 0.031(3) Uani 1 1 d . . . C9 C 0.5245(14) 0.4265(6) 0.6784(10) 0.037(3) Uani 1 1 d . . . H9 H 0.5530 0.4370 0.7557 0.044 Uiso 1 1 calc R . . C10 C 0.5899(15) 0.3835(6) 0.6372(11) 0.043(3) Uani 1 1 d . . . H10 H 0.6666 0.3644 0.6850 0.051 Uiso 1 1 calc R . . C11 C 0.5432(14) 0.3676(5) 0.5242(10) 0.035(3) Uani 1 1 d . . . H11 H 0.5871 0.3370 0.4971 0.043 Uiso 1 1 calc R . . C12 C 0.3740(12) 0.4367(4) 0.4934(9) 0.023(2) Uani 1 1 d . . . C13 C 0.2201(15) 0.3319(5) 0.0707(12) 0.040(3) Uani 1 1 d . . . H13 H 0.1986 0.3040 0.1189 0.048 Uiso 1 1 calc R . . C14 C 0.1726(17) 0.3290(6) -0.0464(13) 0.048(4) Uani 1 1 d . . . H14 H 0.1195 0.2992 -0.0778 0.058 Uiso 1 1 calc R . . C15 C 0.2011(15) 0.3681(6) -0.1155(12) 0.045(4) Uani 1 1 d . . . H15 H 0.1689 0.3659 -0.1957 0.054 Uiso 1 1 calc R . . C16 C 0.2772(14) 0.4116(6) -0.0698(10) 0.037(3) Uani 1 1 d . . . H16 H 0.2972 0.4399 -0.1172 0.045 Uiso 1 1 calc R . . C17 C 0.3234(13) 0.4126(5) 0.0466(10) 0.031(3) Uani 1 1 d . . . H17 H 0.3771 0.4422 0.0793 0.037 Uiso 1 1 calc R . . C18 C 0.4569(17) 0.2719(5) 0.3294(13) 0.045(3) Uani 1 1 d . . . H18 H 0.3572 0.2699 0.3555 0.054 Uiso 1 1 calc R . . C19 C 0.555(2) 0.2298(6) 0.3421(16) 0.061(5) Uani 1 1 d . . . H19 H 0.5239 0.1989 0.3769 0.074 Uiso 1 1 calc R . . C20 C 0.6957(18) 0.2332(6) 0.3042(13) 0.051(4) Uani 1 1 d . . . H20 H 0.7658 0.2048 0.3145 0.061 Uiso 1 1 calc R . . C21 C 0.7394(17) 0.2770(6) 0.2509(13) 0.051(4) Uani 1 1 d . . . H21 H 0.8364 0.2786 0.2207 0.061 Uiso 1 1 calc R . . C22 C 0.6396(14) 0.3187(5) 0.2423(10) 0.034(3) Uani 1 1 d . . . H22 H 0.6702 0.3498 0.2087 0.041 Uiso 1 1 calc R . . N1 N 0.2371(10) 0.4439(3) 0.3065(7) 0.0219(19) Uani 1 1 d . . . N2 N 0.4407(10) 0.3936(3) 0.4543(7) 0.023(2) Uani 1 1 d . . . N3 N 0.2952(10) 0.3732(3) 0.1162(7) 0.025(2) Uani 1 1 d . . . N4 N 0.4991(10) 0.3159(4) 0.2806(8) 0.027(2) Uani 1 1 d . . . F1 F 0.8121(9) 0.4007(4) -0.1118(6) 0.053(2) Uani 1 1 d . . . F2 F 0.7075(10) 0.4385(3) 0.1252(6) 0.052(2) Uani 1 1 d . . . F3 F 0.6354(9) 0.4581(3) -0.0607(6) 0.0440(19) Uani 1 1 d . . . F4 F 0.8886(10) 0.4645(4) 0.0135(7) 0.060(2) Uani 1 1 d . . . F5 F 0.6350(9) 0.3752(3) -0.0008(7) 0.0478(19) Uani 1 1 d . . . F6 F 0.8857(9) 0.3825(3) 0.0772(6) 0.049(2) Uani 1 1 d . . . F7 F 0.1436(11) 0.1317(4) 0.0794(11) 0.088(4) Uani 1 1 d . . . F8 F -0.0540(13) 0.1645(4) 0.1502(10) 0.087(4) Uani 1 1 d . . . F9 F -0.0586(14) 0.2313(4) 0.0230(10) 0.093(4) Uani 1 1 d . . . F10 F 0.1334(19) 0.1973(5) -0.0495(14) 0.141(7) Uani 1 1 d . . . F11 F -0.079(2) 0.1503(6) -0.0318(11) 0.138(6) Uani 1 1 d . . . F12 F 0.1479(18) 0.2126(5) 0.1396(13) 0.134(6) Uani 1 1 d . . . P1 P 0.7619(4) 0.41978(13) 0.0069(3) 0.0303(7) Uani 1 1 d . . . P2 P 0.0418(4) 0.18181(14) 0.0493(3) 0.0414(8) Uani 1 1 d . . . Pt1 Pt 0.36678(5) 0.380170(17) 0.28666(4) 0.02618(13) Uani 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 C1 0.025(5) 0.039(7) 0.024(6) 0.000(5) -0.001(5) 0.004(5) C2 0.016(5) 0.045(8) 0.031(6) 0.006(5) 0.008(4) 0.007(5) C3 0.029(6) 0.027(7) 0.053(8) 0.004(6) 0.017(6) 0.003(5) C4 0.027(6) 0.025(6) 0.036(6) -0.001(5) 0.016(5) -0.005(5) C5 0.018(5) 0.029(6) 0.027(5) 0.002(5) 0.007(4) -0.007(4) C6 0.028(6) 0.044(8) 0.044(7) -0.015(6) 0.017(5) -0.010(6) C7 0.034(7) 0.061(9) 0.022(6) -0.013(6) 0.016(5) -0.017(6) C8 0.024(6) 0.044(8) 0.026(6) 0.000(5) 0.010(5) -0.010(5) C9 0.025(6) 0.064(9) 0.020(5) 0.004(6) -0.004(4) -0.016(6) C10 0.033(6) 0.056(9) 0.038(7) 0.013(7) -0.001(5) -0.007(7) C11 0.032(6) 0.042(8) 0.033(6) 0.011(5) 0.007(5) 0.002(5) C12 0.016(5) 0.032(6) 0.022(5) -0.001(4) 0.009(4) -0.007(4) C13 0.036(7) 0.032(7) 0.052(8) -0.011(6) -0.001(6) 0.002(6) C14 0.043(8) 0.042(8) 0.056(9) -0.018(7) -0.013(7) 0.001(6) C15 0.029(7) 0.064(11) 0.039(7) -0.011(7) -0.008(5) 0.015(6) C16 0.024(6) 0.059(9) 0.028(6) 0.006(6) 0.003(5) 0.010(6) C17 0.024(6) 0.034(7) 0.034(6) -0.002(5) 0.004(5) 0.003(5) C18 0.043(8) 0.024(7) 0.070(10) 0.009(7) 0.010(7) 0.002(6) C19 0.068(11) 0.028(8) 0.086(13) 0.013(8) 0.002(9) 0.003(7) C20 0.049(9) 0.034(8) 0.066(10) -0.008(7) -0.007(7) 0.017(7) C21 0.038(8) 0.056(10) 0.060(10) -0.011(8) 0.013(7) 0.002(7) C22 0.038(7) 0.036(7) 0.031(6) 0.003(5) 0.013(5) 0.007(6) N1 0.016(4) 0.026(5) 0.024(4) -0.008(4) 0.004(3) -0.002(4) N2 0.019(4) 0.028(5) 0.023(4) 0.006(4) 0.005(3) 0.004(4) N3 0.029(5) 0.020(5) 0.025(4) -0.003(4) -0.001(4) 0.006(4) N4 0.020(5) 0.029(5) 0.033(5) -0.007(4) 0.005(4) 0.005(4) F1 0.045(5) 0.081(6) 0.036(4) 0.001(4) 0.012(3) 0.006(4) F2 0.070(6) 0.058(5) 0.029(4) -0.012(4) 0.008(4) -0.001(4) F3 0.044(4) 0.042(5) 0.042(4) -0.003(3) -0.010(3) 0.005(4) F4 0.051(5) 0.073(6) 0.052(5) 0.009(4) -0.009(4) -0.037(5) F5 0.042(4) 0.041(5) 0.061(5) -0.007(4) 0.010(4) -0.016(4) F6 0.051(5) 0.068(6) 0.026(3) 0.014(4) -0.005(3) 0.015(4) F7 0.060(6) 0.058(7) 0.158(11) 0.031(7) 0.056(7) 0.030(5) F8 0.082(8) 0.094(8) 0.094(8) 0.029(7) 0.043(6) 0.024(6) F9 0.097(9) 0.077(8) 0.104(9) 0.025(7) 0.007(7) 0.043(7) F10 0.191(15) 0.076(8) 0.191(15) 0.045(9) 0.161(13) 0.030(9) F11 0.196(16) 0.112(11) 0.088(9) 0.017(8) -0.054(9) -0.073(11) F12 0.167(14) 0.065(8) 0.145(12) 0.031(8) -0.081(11) -0.035(8) P1 0.0263(15) 0.0393(18) 0.0246(14) 0.0006(13) 0.0004(12) -0.0059(13) P2 0.043(2) 0.036(2) 0.046(2) 0.0055(16) 0.0100(16) 0.0066(16) Pt1 0.0267(2) 0.0255(2) 0.0266(2) 0.0017(2) 0.00429(14) 0.0019(2) _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 C1 N1 1.316(14) . ? C1 C2 1.384(16) . ? C1 H1 0.9500 . ? C2 C3 1.371(17) . ? C2 H2 0.9500 . ? C3 C4 1.400(17) . ? C3 H3 0.9500 . ? C4 C5 1.411(16) . ? C4 C6 1.435(17) . ? C5 N1 1.361(13) . ? C5 C12 1.406(15) . ? C6 C7 1.363(19) . ? C6 H6 0.9500 . ? C7 C8 1.423(18) . ? C7 H7 0.9500 . ? C8 C12 1.402(15) . ? C8 C9 1.410(17) . ? C9 C10 1.37(2) . ? C9 H9 0.9500 . ? C10 C11 1.399(18) . ? C10 H10 0.9500 . ? C11 N2 1.314(14) . ? C11 H11 0.9500 . ? C12 N2 1.360(14) . ? C13 N3 1.327(15) . ? C13 C14 1.386(19) . ? C13 H13 0.9500 . ? C14 C15 1.34(2) . ? C14 H14 0.9500 . ? C15 C16 1.378(19) . ? C15 H15 0.9500 . ? C16 C17 1.376(16) . ? C16 H16 0.9500 . ? C17 N3 1.349(15) . ? C17 H17 0.9500 . ? C18 N4 1.346(16) . ? C18 C19 1.376(19) . ? C18 H18 0.9500 . ? C19 C20 1.35(2) . ? C19 H19 0.9500 . ? C20 C21 1.37(2) . ? C20 H20 0.9500 . ? C21 C22 1.375(19) . ? C21 H21 0.9500 . ? C22 N4 1.345(14) . ? C22 H22 0.9500 . ? N1 Pt1 2.024(9) . ? N2 Pt1 2.022(9) . ? N3 Pt1 2.027(9) . ? N4 Pt1 2.025(9) . ? F1 P1 1.590(8) . ? F2 P1 1.596(8) . ? F3 P1 1.608(8) . ? F4 P1 1.588(8) . ? F5 P1 1.586(8) . ? F6 P1 1.590(8) . ? F7 P2 1.582(9) . ? F8 P2 1.592(10) . ? F9 P2 1.557(10) . ? F10 P2 1.537(10) . ? F11 P2 1.554(12) . ? F12 P2 1.534(12) . ? 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 C1 C2 122.7(10) . . ? N1 C1 H1 118.6 . . ? C2 C1 H1 118.6 . . ? C3 C2 C1 119.8(11) . . ? C3 C2 H2 120.1 . . ? C1 C2 H2 120.1 . . ? C2 C3 C4 119.3(11) . . ? C2 C3 H3 120.4 . . ? C4 C3 H3 120.4 . . ? C3 C4 C5 117.2(11) . . ? C3 C4 C6 124.6(11) . . ? C5 C4 C6 118.2(11) . . ? N1 C5 C12 117.4(10) . . ? N1 C5 C4 122.3(10) . . ? C12 C5 C4 120.3(10) . . ? C7 C6 C4 120.8(12) . . ? C7 C6 H6 119.6 . . ? C4 C6 H6 119.6 . . ? C6 C7 C8 121.2(11) . . ? C6 C7 H7 119.4 . . ? C8 C7 H7 119.4 . . ? C12 C8 C9 117.3(12) . . ? C12 C8 C7 118.6(11) . . ? C9 C8 C7 124.2(11) . . ? C10 C9 C8 119.5(11) . . ? C10 C9 H9 120.3 . . ? C8 C9 H9 120.3 . . ? C9 C10 C11 119.6(12) . . ? C9 C10 H10 120.2 . . ? C11 C10 H10 120.2 . . ? N2 C11 C10 122.1(12) . . ? N2 C11 H11 118.9 . . ? C10 C11 H11 118.9 . . ? N2 C12 C5 117.0(9) . . ? N2 C12 C8 122.1(10) . . ? C5 C12 C8 120.8(11) . . ? N3 C13 C14 120.7(13) . . ? N3 C13 H13 119.7 . . ? C14 C13 H13 119.7 . . ? C15 C14 C13 120.5(13) . . ? C15 C14 H14 119.8 . . ? C13 C14 H14 119.8 . . ? C14 C15 C16 119.8(13) . . ? C14 C15 H15 120.1 . . ? C16 C15 H15 120.1 . . ? C17 C16 C15 117.8(13) . . ? C17 C16 H16 121.1 . . ? C15 C16 H16 121.1 . . ? N3 C17 C16 122.4(12) . . ? N3 C17 H17 118.8 . . ? C16 C17 H17 118.8 . . ? N4 C18 C19 121.5(13) . . ? N4 C18 H18 119.3 . . ? C19 C18 H18 119.3 . . ? C20 C19 C18 118.5(14) . . ? C20 C19 H19 120.8 . . ? C18 C19 H19 120.8 . . ? C19 C20 C21 121.1(14) . . ? C19 C20 H20 119.4 . . ? C21 C20 H20 119.4 . . ? C22 C21 C20 118.5(13) . . ? C22 C21 H21 120.8 . . ? C20 C21 H21 120.8 . . ? N4 C22 C21 121.0(12) . . ? N4 C22 H22 119.5 . . ? C21 C22 H22 119.5 . . ? C1 N1 C5 118.6(9) . . ? C1 N1 Pt1 129.7(7) . . ? C5 N1 Pt1 111.7(7) . . ? C11 N2 C12 119.3(10) . . ? C11 N2 Pt1 128.6(8) . . ? C12 N2 Pt1 112.0(7) . . ? C13 N3 C17 118.9(10) . . ? C13 N3 Pt1 122.8(9) . . ? C17 N3 Pt1 118.3(8) . . ? C18 N4 C22 119.4(11) . . ? C18 N4 Pt1 119.8(8) . . ? C22 N4 Pt1 120.2(8) . . ? F5 P1 F4 179.5(5) . . ? F5 P1 F1 89.2(5) . . ? F4 P1 F1 90.5(5) . . ? F5 P1 F2 89.7(4) . . ? F4 P1 F2 90.6(5) . . ? F1 P1 F2 178.7(5) . . ? F5 P1 F6 90.0(5) . . ? F4 P1 F6 90.3(5) . . ? F1 P1 F6 91.6(4) . . ? F2 P1 F6 89.1(4) . . ? F5 P1 F3 90.1(4) . . ? F4 P1 F3 89.6(5) . . ? F1 P1 F3 90.1(4) . . ? F2 P1 F3 89.2(4) . . ? F6 P1 F3 178.3(5) . . ? F12 P2 F10 93.9(10) . . ? F12 P2 F11 173.3(10) . . ? F10 P2 F11 92.5(9) . . ? F12 P2 F9 88.6(7) . . ? F10 P2 F9 87.8(7) . . ? F11 P2 F9 89.8(8) . . ? F12 P2 F7 90.4(7) . . ? F10 P2 F7 93.4(6) . . ? F11 P2 F7 91.0(8) . . ? F9 P2 F7 178.6(7) . . ? F12 P2 F8 87.3(8) . . ? F10 P2 F8 178.6(8) . . ? F11 P2 F8 86.3(8) . . ? F9 P2 F8 93.0(6) . . ? F7 P2 F8 85.8(6) . . ? N3 Pt1 N2 175.1(4) . . ? N3 Pt1 N4 89.7(4) . . ? N2 Pt1 N4 93.8(4) . . ? N3 Pt1 N1 94.8(3) . . ? N2 Pt1 N1 81.8(3) . . ? N4 Pt1 N1 175.4(4) . . ? 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 N1 C1 C2 C3 -1.3(18) . . . . ? C1 C2 C3 C4 -0.2(17) . . . . ? C2 C3 C4 C5 0.9(16) . . . . ? C2 C3 C4 C6 179.2(11) . . . . ? C3 C4 C5 N1 -0.2(16) . . . . ? C6 C4 C5 N1 -178.7(10) . . . . ? C3 C4 C5 C12 -178.3(10) . . . . ? C6 C4 C5 C12 3.2(15) . . . . ? C3 C4 C6 C7 179.7(11) . . . . ? C5 C4 C6 C7 -1.9(17) . . . . ? C4 C6 C7 C8 0.9(18) . . . . ? C6 C7 C8 C12 -1.2(17) . . . . ? C6 C7 C8 C9 -179.8(11) . . . . ? C12 C8 C9 C10 2.0(17) . . . . ? C7 C8 C9 C10 -179.4(11) . . . . ? C8 C9 C10 C11 -1.9(18) . . . . ? C9 C10 C11 N2 1.9(19) . . . . ? N1 C5 C12 N2 1.3(14) . . . . ? C4 C5 C12 N2 179.4(9) . . . . ? N1 C5 C12 C8 178.3(9) . . . . ? C4 C5 C12 C8 -3.6(15) . . . . ? C9 C8 C12 N2 -2.0(15) . . . . ? C7 C8 C12 N2 179.3(10) . . . . ? C9 C8 C12 C5 -178.8(10) . . . . ? C7 C8 C12 C5 2.4(15) . . . . ? N3 C13 C14 C15 0(2) . . . . ? C13 C14 C15 C16 0(2) . . . . ? C14 C15 C16 C17 0.9(19) . . . . ? C15 C16 C17 N3 -0.7(17) . . . . ? N4 C18 C19 C20 0(2) . . . . ? C18 C19 C20 C21 -2(3) . . . . ? C19 C20 C21 C22 3(2) . . . . ? C20 C21 C22 N4 -3(2) . . . . ? C2 C1 N1 C5 1.9(17) . . . . ? C2 C1 N1 Pt1 -178.7(8) . . . . ? C12 C5 N1 C1 177.0(10) . . . . ? C4 C5 N1 C1 -1.1(15) . . . . ? C12 C5 N1 Pt1 -2.5(11) . . . . ? C4 C5 N1 Pt1 179.4(8) . . . . ? C10 C11 N2 C12 -1.9(17) . . . . ? C10 C11 N2 Pt1 176.1(9) . . . . ? C5 C12 N2 C11 178.9(10) . . . . ? C8 C12 N2 C11 1.9(15) . . . . ? C5 C12 N2 Pt1 0.6(11) . . . . ? C8 C12 N2 Pt1 -176.3(8) . . . . ? C14 C13 N3 C17 0.6(18) . . . . ? C14 C13 N3 Pt1 179.6(10) . . . . ? C16 C17 N3 C13 -0.1(17) . . . . ? C16 C17 N3 Pt1 -179.1(9) . . . . ? C19 C18 N4 C22 1(2) . . . . ? C19 C18 N4 Pt1 -170.2(12) . . . . ? C21 C22 N4 C18 0.8(19) . . . . ? C21 C22 N4 Pt1 171.7(10) . . . . ? C13 N3 Pt1 N4 59.6(9) . . . . ? C17 N3 Pt1 N4 -121.4(8) . . . . ? C13 N3 Pt1 N1 -119.3(9) . . . . ? C17 N3 Pt1 N1 59.7(8) . . . . ? C11 N2 Pt1 N4 1.8(10) . . . . ? C12 N2 Pt1 N4 179.8(7) . . . . ? C11 N2 Pt1 N1 -179.6(10) . . . . ? C12 N2 Pt1 N1 -1.5(7) . . . . ? C18 N4 Pt1 N3 -109.0(10) . . . . ? C22 N4 Pt1 N3 80.2(9) . . . . ? C18 N4 Pt1 N2 74.4(10) . . . . ? C22 N4 Pt1 N2 -96.4(9) . . . . ? C1 N1 Pt1 N3 6.3(10) . . . . ? C5 N1 Pt1 N3 -174.3(7) . . . . ? C1 N1 Pt1 N2 -177.3(10) . . . . ? C5 N1 Pt1 N2 2.1(7) . . . . ? _diffrn_measured_fraction_theta_max 0.951 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 1.867 _refine_diff_density_min -3.878 _refine_diff_density_rms 0.189