Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2005 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'Antoni Llobet' _publ_contact_author_address ; Departament de Quimica Universitat de Girona c/ Campus de Montilivi s/n Girona Girona 17071 SPAIN ; _publ_contact_author_email ANTONI.LLOBET@UAB.ES _publ_section_title ; Trinuclear Pt(II) Compound with short Pt-Pt-Pt contacts. An analysis of the influence of Pi-Pi stacking interactions on the strength and length of the Pt-Pt bond ; loop_ _publ_author_name 'Antoni Llobet' 'Ma. Angeles Martinez' 'Silvia Moradell' 'Elena Pinilla' 'Poater Albert' 'Jordi Poater' ; M.Sola ; data_datat _database_code_depnum_ccdc_archive 'CCDC 281466' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C27 H30 Cl2 F6 N4 O P Pt1.50' _chemical_formula_weight 935.06 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 0.0900 0.0950 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -2.3520 8.3880 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1320 0.1590 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 8.8821(6) _cell_length_b 12.2768(9) _cell_length_c 29.030(2) _cell_angle_alpha 90.00 _cell_angle_beta 97.235(2) _cell_angle_gamma 90.00 _cell_volume 3140.3(4) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description prismatic _exptl_crystal_colour orange _exptl_crystal_size_max 0.5 _exptl_crystal_size_mid 0.4 _exptl_crystal_size_min 0.3 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.978 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1792 _exptl_absorpt_coefficient_mu 6.969 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(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 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 16099 _diffrn_reflns_av_R_equivalents 0.0713 _diffrn_reflns_av_sigmaI/netI 0.0933 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 34 _diffrn_reflns_theta_min 1.80 _diffrn_reflns_theta_max 25.00 _reflns_number_total 5513 _reflns_number_gt 3443 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0732P)^2^+0.0000P] 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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5513 _refine_ls_number_parameters 325 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0940 _refine_ls_R_factor_gt 0.0551 _refine_ls_wR_factor_ref 0.1527 _refine_ls_wR_factor_gt 0.1412 _refine_ls_goodness_of_fit_ref 1.011 _refine_ls_restrained_S_all 1.011 _refine_ls_shift/su_max 1.306 _refine_ls_shift/su_mean 0.031 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 1.0000 0.5000 0.5000 0.0430(2) Uani 1 2 d S . . N1 N 0.8544(11) 0.5243(8) 0.4416(4) 0.046(3) Uani 1 1 d . . . N2 N 1.1257(11) 0.5947(8) 0.4628(4) 0.047(3) Uani 1 1 d . . . C1 C 0.7044(13) 0.5094(11) 0.4338(5) 0.057(4) Uani 1 1 d . . . H1A H 0.6535 0.4963 0.4594 0.069 Uiso 1 1 calc R . . C2 C 0.6209(15) 0.5121(11) 0.3914(5) 0.061(4) Uani 1 1 d . . . H2A H 0.5172 0.4983 0.3885 0.073 Uiso 1 1 calc R . . C3 C 0.6916(15) 0.5357(11) 0.3519(5) 0.056(4) Uani 1 1 d . . . C4 C 0.8439(13) 0.5615(10) 0.3596(4) 0.047(3) Uani 1 1 d . . . H4A H 0.8938 0.5831 0.3349 0.056 Uiso 1 1 calc R . . C5 C 0.9229(14) 0.5554(10) 0.4037(5) 0.047(3) Uani 1 1 d . . . C6 C 1.0772(13) 0.5985(10) 0.4161(5) 0.047(3) Uani 1 1 d . . . C7 C 1.1581(13) 0.6497(11) 0.3850(5) 0.051(3) Uani 1 1 d . . . H7A H 1.1229 0.6481 0.3534 0.062 Uiso 1 1 calc R . . C8 C 1.2956(15) 0.7051(12) 0.4010(5) 0.059(4) Uani 1 1 d . . . C9 C 1.3379(14) 0.7053(11) 0.4485(5) 0.056(4) Uani 1 1 d . . . H9A H 1.4248 0.7426 0.4609 0.067 Uiso 1 1 calc R . . C10 C 1.2513(13) 0.6500(11) 0.4782(4) 0.048(3) Uani 1 1 d . . . H10A H 1.2828 0.6518 0.5099 0.058 Uiso 1 1 calc R . . C11 C 0.6042(15) 0.5395(12) 0.3047(5) 0.069(4) Uani 1 1 d . . . H11A H 0.6715 0.5566 0.2823 0.104 Uiso 1 1 calc R . . H11B H 0.5269 0.5943 0.3039 0.104 Uiso 1 1 calc R . . H11C H 0.5579 0.4699 0.2975 0.104 Uiso 1 1 calc R . . C12 C 1.3859(17) 0.7625(12) 0.3685(5) 0.076(5) Uani 1 1 d . . . H12A H 1.4742 0.7944 0.3858 0.115 Uiso 1 1 calc R . . H12B H 1.3251 0.8186 0.3524 0.115 Uiso 1 1 calc R . . H12C H 1.4164 0.7114 0.3465 0.115 Uiso 1 1 calc R . . Pt2 Pt 0.82936(6) 0.72998(4) 0.540150(19) 0.0487(2) Uani 1 1 d . . . Cl1 Cl 0.7503(4) 0.7823(3) 0.46513(13) 0.0671(10) Uani 1 1 d . . . Cl2 Cl 0.6099(4) 0.6323(3) 0.54078(14) 0.0729(12) Uani 1 1 d . . . N3 N 0.9053(12) 0.6962(8) 0.6060(4) 0.052(3) Uani 1 1 d . . . N4 N 1.0294(11) 0.8063(8) 0.5452(4) 0.048(3) Uani 1 1 d . . . C13 C 0.8281(15) 0.6494(11) 0.6381(5) 0.059(4) Uani 1 1 d . . . H13A H 0.7286 0.6274 0.6289 0.071 Uiso 1 1 calc R . . C14 C 0.8879(18) 0.6326(12) 0.6834(5) 0.069(4) Uani 1 1 d . . . H14A H 0.8329 0.5981 0.7044 0.082 Uiso 1 1 calc R . . C15 C 1.0347(17) 0.6697(12) 0.6963(5) 0.061(4) Uani 1 1 d . . . C16 C 1.1132(16) 0.7159(10) 0.6664(5) 0.055(4) Uani 1 1 d . . . H16A H 1.2122 0.7384 0.6761 0.066 Uiso 1 1 calc R . . C17 C 1.0521(14) 0.7315(10) 0.6213(5) 0.049(3) Uani 1 1 d . . . C18 C 1.1215(13) 0.7914(10) 0.5851(5) 0.046(3) Uani 1 1 d . . . C19 C 1.2659(14) 0.8324(11) 0.5931(5) 0.057(4) Uani 1 1 d . . . H19A H 1.3272 0.8181 0.6209 0.068 Uiso 1 1 calc R . . C20 C 1.3202(14) 0.8980(11) 0.5579(5) 0.055(4) Uani 1 1 d . . . C21 C 1.2244(15) 0.9143(11) 0.5183(5) 0.060(4) Uani 1 1 d . . . H21A H 1.2545 0.9584 0.4951 0.072 Uiso 1 1 calc R . . C22 C 1.0839(14) 0.8667(11) 0.5122(5) 0.055(4) Uani 1 1 d . . . H22A H 1.0232 0.8765 0.4840 0.066 Uiso 1 1 calc R . . C23 C 1.0959(17) 0.6515(15) 0.7505(5) 0.085(5) Uani 1 1 d . . . H23A H 1.1979 0.6784 0.7568 0.128 Uiso 1 1 calc R . . H23B H 1.0943 0.5752 0.7576 0.128 Uiso 1 1 calc R . . H23C H 1.0319 0.6901 0.7692 0.128 Uiso 1 1 calc R . . C24 C 1.4782(15) 0.9436(13) 0.5654(5) 0.077(5) Uani 1 1 d . . . H24A H 1.4975 0.9839 0.5384 0.116 Uiso 1 1 calc R . . H24B H 1.5500 0.8851 0.5707 0.116 Uiso 1 1 calc R . . H24C H 1.4882 0.9910 0.5919 0.116 Uiso 1 1 calc R . . P1 P 0.0544(5) 0.6772(4) 0.23196(16) 0.0744(12) Uani 1 1 d . . . F1 F -0.1108(14) 0.6332(10) 0.2230(4) 0.142 Uiso 1 1 d . . . F2 F 0.0065(15) 0.7703(10) 0.1986(5) 0.135 Uiso 1 1 d . . . F3 F 0.0321(17) 0.7512(11) 0.2713(6) 0.160 Uiso 1 1 d . . . F4 F 0.2235(16) 0.7095(10) 0.2385(5) 0.146 Uiso 1 1 d . . . F5 F 0.0934(13) 0.5903(10) 0.2714(4) 0.133 Uiso 1 1 d . . . F6 F 0.0770(15) 0.5957(12) 0.1973(5) 0.153 Uiso 1 1 d . . . O1 O 0.4083(16) 0.4532(12) 0.0944(5) 0.126 Uiso 1 1 d . . . C25 C 0.482(2) 0.4551(16) 0.1322(7) 0.097 Uiso 1 1 d . . . C26 C 0.633(2) 0.4055(16) 0.1424(7) 0.118 Uiso 1 1 d . . . H26A H 0.6624 0.3741 0.1146 0.177 Uiso 1 1 calc R . . H26B H 0.6307 0.3497 0.1655 0.177 Uiso 1 1 calc R . . H26C H 0.7055 0.4604 0.1538 0.177 Uiso 1 1 calc R . . C27 C 0.416(2) 0.5075(14) 0.1719(6) 0.098 Uiso 1 1 d . . . H27A H 0.3191 0.5385 0.1609 0.147 Uiso 1 1 calc R . . H27B H 0.4833 0.5639 0.1850 0.147 Uiso 1 1 calc R . . H27C H 0.4045 0.4538 0.1952 0.147 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 0.0361(4) 0.0513(5) 0.0407(4) 0.0046(3) 0.0011(3) -0.0048(3) N1 0.045(6) 0.049(7) 0.044(6) 0.003(5) 0.003(5) 0.003(5) N2 0.051(6) 0.043(6) 0.045(7) -0.001(5) -0.002(5) -0.008(5) C1 0.032(7) 0.076(10) 0.065(10) 0.011(8) 0.006(7) -0.005(7) C2 0.041(7) 0.078(11) 0.063(10) 0.008(8) -0.001(7) -0.014(7) C3 0.061(9) 0.050(8) 0.053(9) 0.001(7) -0.007(7) -0.004(7) C4 0.047(7) 0.055(9) 0.036(8) -0.006(6) -0.002(6) -0.008(6) C5 0.047(7) 0.033(7) 0.061(9) 0.006(7) 0.006(7) 0.000(6) C6 0.038(7) 0.049(8) 0.054(9) 0.000(7) 0.003(6) -0.004(6) C7 0.045(7) 0.070(10) 0.039(8) 0.006(7) 0.006(6) -0.003(7) C8 0.052(8) 0.062(10) 0.064(10) 0.010(8) 0.007(7) -0.002(7) C9 0.044(7) 0.074(10) 0.045(9) 0.014(8) -0.009(7) -0.009(7) C10 0.036(7) 0.064(9) 0.041(8) -0.005(7) -0.009(6) -0.010(7) C11 0.064(9) 0.069(10) 0.069(10) 0.011(9) -0.008(8) -0.008(8) C12 0.062(10) 0.092(12) 0.073(11) 0.017(9) 0.002(8) -0.027(9) Pt2 0.0407(3) 0.0504(3) 0.0535(4) 0.0021(3) -0.0003(2) -0.0067(3) Cl1 0.060(2) 0.072(3) 0.064(2) 0.013(2) -0.0108(18) -0.0146(19) Cl2 0.049(2) 0.094(3) 0.072(3) 0.013(2) -0.0046(19) -0.027(2) N3 0.055(7) 0.044(7) 0.057(8) -0.011(6) 0.010(6) -0.003(5) N4 0.034(5) 0.050(7) 0.059(8) 0.000(6) -0.002(5) 0.001(5) C13 0.054(8) 0.065(10) 0.060(10) 0.008(8) 0.015(8) -0.008(7) C14 0.083(11) 0.071(11) 0.051(10) -0.004(8) 0.006(9) 0.006(9) C15 0.066(9) 0.063(10) 0.052(9) -0.013(8) 0.001(8) 0.006(8) C16 0.059(9) 0.052(9) 0.052(9) -0.004(7) -0.002(7) -0.025(7) C17 0.042(7) 0.050(8) 0.053(9) -0.002(7) -0.001(7) -0.003(6) C18 0.042(7) 0.050(8) 0.045(8) 0.002(7) 0.005(6) -0.008(6) C19 0.054(8) 0.051(9) 0.060(10) -0.010(7) -0.013(7) 0.000(7) C20 0.042(7) 0.055(9) 0.068(10) -0.001(8) 0.006(7) -0.014(7) C21 0.061(9) 0.055(9) 0.063(10) 0.006(8) 0.000(8) -0.007(7) C22 0.050(8) 0.060(9) 0.053(9) 0.022(7) -0.006(7) -0.016(7) C23 0.081(11) 0.108(14) 0.064(11) 0.007(10) 0.002(9) -0.013(10) C24 0.059(9) 0.098(13) 0.076(11) -0.006(10) 0.011(8) -0.019(9) P1 0.079(3) 0.077(3) 0.064(3) 0.009(3) -0.003(2) 0.007(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 Pt1 N2 2.017(10) . ? Pt1 N2 2.017(10) 3_766 ? Pt1 N1 2.021(10) . ? Pt1 N1 2.021(10) 3_766 ? Pt1 Pt2 3.4745(6) 3_766 ? Pt1 Pt2 3.4745(6) . ? N1 C1 1.335(15) . ? N1 C5 1.378(15) . ? N2 C10 1.334(14) . ? N2 C6 1.371(15) . ? C1 C2 1.355(18) . ? C1 H1A 0.9300 . ? C2 C3 1.404(18) . ? C2 H2A 0.9300 . ? C3 C4 1.379(16) . ? C3 C11 1.489(18) . ? C4 C5 1.381(17) . ? C4 H4A 0.9300 . ? C5 C6 1.471(16) . ? C6 C7 1.375(16) . ? C7 C8 1.424(17) . ? C7 H7A 0.9300 . ? C8 C9 1.384(18) . ? C8 C12 1.488(18) . ? C9 C10 1.400(17) . ? C9 H9A 0.9300 . ? C10 H10A 0.9300 . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? Pt2 N3 1.990(11) . ? Pt2 N4 1.998(10) . ? Pt2 Cl2 2.290(3) . ? Pt2 Cl1 2.294(4) . ? N3 C13 1.352(15) . ? N3 C17 1.393(15) . ? N4 C18 1.343(15) . ? N4 C22 1.347(15) . ? C13 C14 1.369(18) . ? C13 H13A 0.9300 . ? C14 C15 1.387(19) . ? C14 H14A 0.9300 . ? C15 C16 1.308(18) . ? C15 C23 1.614(19) . ? C16 C17 1.367(18) . ? C16 H16A 0.9300 . ? C17 C18 1.480(18) . ? C18 C19 1.371(16) . ? C19 C20 1.432(18) . ? C19 H19A 0.9300 . ? C20 C21 1.356(18) . ? C20 C24 1.501(17) . ? C21 C22 1.370(17) . ? C21 H21A 0.9300 . ? C22 H22A 0.9300 . ? C23 H23A 0.9600 . ? C23 H23B 0.9600 . ? C23 H23C 0.9600 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? P1 F6 1.451(14) . ? P1 F3 1.493(15) . ? P1 F2 1.524(13) . ? P1 F5 1.571(13) . ? P1 F4 1.542(14) . ? P1 F1 1.555(13) . ? F3 F4 2.114(19) . ? O1 C25 1.20(2) . ? C25 C27 1.50(2) . ? C25 C26 1.47(2) . ? C26 H26A 0.9600 . ? C26 H26B 0.9600 . ? C26 H26C 0.9600 . ? C27 H27A 0.9600 . ? C27 H27B 0.9600 . ? C27 H27C 0.9600 . ? 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 N2 180.000(2) . 3_766 ? N2 Pt1 N1 78.7(4) . . ? N2 Pt1 N1 101.3(4) 3_766 . ? N2 Pt1 N1 101.3(4) . 3_766 ? N2 Pt1 N1 78.7(4) 3_766 3_766 ? N1 Pt1 N1 180.0(4) . 3_766 ? N2 Pt1 Pt2 89.7(3) . 3_766 ? N2 Pt1 Pt2 90.3(3) 3_766 3_766 ? N1 Pt1 Pt2 95.7(3) . 3_766 ? N1 Pt1 Pt2 84.3(3) 3_766 3_766 ? N2 Pt1 Pt2 90.3(3) . . ? N2 Pt1 Pt2 89.7(3) 3_766 . ? N1 Pt1 Pt2 84.3(3) . . ? N1 Pt1 Pt2 95.7(3) 3_766 . ? Pt2 Pt1 Pt2 180.000(17) 3_766 . ? C1 N1 C5 115.8(11) . . ? C1 N1 Pt1 129.9(9) . . ? C5 N1 Pt1 114.2(8) . . ? C10 N2 C6 117.4(11) . . ? C10 N2 Pt1 127.6(9) . . ? C6 N2 Pt1 115.0(8) . . ? N1 C1 C2 124.8(13) . . ? N1 C1 H1A 117.6 . . ? C2 C1 H1A 117.6 . . ? C3 C2 C1 119.8(12) . . ? C3 C2 H2A 120.1 . . ? C1 C2 H2A 120.1 . . ? C4 C3 C2 116.4(12) . . ? C4 C3 C11 121.9(13) . . ? C2 C3 C11 121.5(12) . . ? C5 C4 C3 120.8(12) . . ? C5 C4 H4A 119.6 . . ? C3 C4 H4A 119.6 . . ? N1 C5 C4 122.0(11) . . ? N1 C5 C6 113.3(12) . . ? C4 C5 C6 123.9(12) . . ? C7 C6 N2 122.7(11) . . ? C7 C6 C5 123.4(12) . . ? N2 C6 C5 113.5(11) . . ? C6 C7 C8 120.2(12) . . ? C6 C7 H7A 119.9 . . ? C8 C7 H7A 119.9 . . ? C9 C8 C7 116.1(13) . . ? C9 C8 C12 122.0(13) . . ? C7 C8 C12 121.9(13) . . ? C8 C9 C10 120.7(13) . . ? C8 C9 H9A 119.6 . . ? C10 C9 H9A 119.6 . . ? N2 C10 C9 122.8(12) . . ? N2 C10 H10A 118.6 . . ? C9 C10 H10A 118.6 . . ? C3 C11 H11A 109.5 . . ? C3 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C3 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C8 C12 H12A 109.5 . . ? C8 C12 H12B 109.4 . . ? H12A C12 H12B 109.5 . . ? C8 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? N3 Pt2 N4 80.6(4) . . ? N3 Pt2 Cl2 94.0(3) . . ? N4 Pt2 Cl2 174.2(3) . . ? N3 Pt2 Cl1 175.5(3) . . ? N4 Pt2 Cl1 95.8(3) . . ? Cl2 Pt2 Cl1 89.72(13) . . ? N3 Pt2 Pt1 92.5(3) . . ? N4 Pt2 Pt1 89.1(3) . . ? Cl2 Pt2 Pt1 89.14(11) . . ? Cl1 Pt2 Pt1 90.20(11) . . ? C13 N3 C17 116.7(12) . . ? C13 N3 Pt2 127.6(9) . . ? C17 N3 Pt2 115.5(9) . . ? C18 N4 C22 116.9(11) . . ? C18 N4 Pt2 116.0(8) . . ? C22 N4 Pt2 127.0(9) . . ? N3 C13 C14 123.7(14) . . ? N3 C13 H13A 118.1 . . ? C14 C13 H13A 118.1 . . ? C13 C14 C15 116.6(15) . . ? C13 C14 H14A 121.7 . . ? C15 C14 H14A 121.7 . . ? C16 C15 C14 121.7(14) . . ? C16 C15 C23 124.3(14) . . ? C14 C15 C23 114.0(14) . . ? C15 C16 C17 121.0(13) . . ? C15 C16 H16A 119.5 . . ? C17 C16 H16A 119.5 . . ? C16 C17 N3 120.2(12) . . ? C16 C17 C18 126.9(12) . . ? N3 C17 C18 112.7(11) . . ? N4 C18 C19 123.6(12) . . ? N4 C18 C17 114.7(11) . . ? C19 C18 C17 121.7(12) . . ? C18 C19 C20 118.4(13) . . ? C18 C19 H19A 120.8 . . ? C20 C19 H19A 120.8 . . ? C21 C20 C19 117.2(12) . . ? C21 C20 C24 122.9(13) . . ? C19 C20 C24 119.9(13) . . ? C22 C21 C20 120.7(13) . . ? C22 C21 H21A 119.6 . . ? C20 C21 H21A 119.6 . . ? N4 C22 C21 123.1(13) . . ? N4 C22 H22A 118.5 . . ? C21 C22 H22A 118.5 . . ? C15 C23 H23A 109.5 . . ? C15 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C15 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C20 C24 H24A 109.5 . . ? C20 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C20 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? F6 P1 F3 173.8(9) . . ? F6 P1 F2 97.4(8) . . ? F3 P1 F2 88.7(8) . . ? F6 P1 F5 90.0(7) . . ? F3 P1 F5 83.9(7) . . ? F2 P1 F5 172.2(8) . . ? F6 P1 F4 92.6(8) . . ? F3 P1 F4 88.3(8) . . ? F2 P1 F4 94.3(7) . . ? F5 P1 F4 87.8(7) . . ? F6 P1 F1 81.6(7) . . ? F3 P1 F1 97.2(8) . . ? F2 P1 F1 88.4(7) . . ? F5 P1 F1 90.1(7) . . ? F4 P1 F1 173.9(8) . . ? P1 F3 F4 46.8(6) . . ? P1 F4 F3 44.9(6) . . ? O1 C25 C27 119.4(18) . . ? O1 C25 C26 123(2) . . ? C27 C25 C26 117.2(18) . . ? C25 C26 H26A 109.4 . . ? C25 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? C25 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C25 C27 H27A 109.6 . . ? C25 C27 H27B 109.4 . . ? H27A C27 H27B 109.5 . . ? C25 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N2 Pt1 N1 C1 -163.3(12) . . . . ? N2 Pt1 N1 C1 16.7(12) 3_766 . . . ? N1 Pt1 N1 C1 136(100) 3_766 . . . ? Pt2 Pt1 N1 C1 108.1(11) 3_766 . . . ? Pt2 Pt1 N1 C1 -71.9(11) . . . . ? N2 Pt1 N1 C5 20.4(8) . . . . ? N2 Pt1 N1 C5 -159.6(8) 3_766 . . . ? N1 Pt1 N1 C5 -40(100) 3_766 . . . ? Pt2 Pt1 N1 C5 -68.1(8) 3_766 . . . ? Pt2 Pt1 N1 C5 111.9(8) . . . . ? N2 Pt1 N2 C10 57(100) 3_766 . . . ? N1 Pt1 N2 C10 163.5(11) . . . . ? N1 Pt1 N2 C10 -16.5(11) 3_766 . . . ? Pt2 Pt1 N2 C10 -100.7(11) 3_766 . . . ? Pt2 Pt1 N2 C10 79.3(11) . . . . ? N2 Pt1 N2 C6 -126(100) 3_766 . . . ? N1 Pt1 N2 C6 -19.0(9) . . . . ? N1 Pt1 N2 C6 161.0(9) 3_766 . . . ? Pt2 Pt1 N2 C6 76.8(9) 3_766 . . . ? Pt2 Pt1 N2 C6 -103.2(9) . . . . ? C5 N1 C1 C2 7(2) . . . . ? Pt1 N1 C1 C2 -169.2(11) . . . . ? N1 C1 C2 C3 -2(2) . . . . ? C1 C2 C3 C4 -4(2) . . . . ? C1 C2 C3 C11 180.0(14) . . . . ? C2 C3 C4 C5 5(2) . . . . ? C11 C3 C4 C5 -178.8(13) . . . . ? C1 N1 C5 C4 -5.6(18) . . . . ? Pt1 N1 C5 C4 171.2(9) . . . . ? C1 N1 C5 C6 164.6(11) . . . . ? Pt1 N1 C5 C6 -18.6(13) . . . . ? C3 C4 C5 N1 0(2) . . . . ? C3 C4 C5 C6 -169.4(12) . . . . ? C10 N2 C6 C7 4.7(19) . . . . ? Pt1 N2 C6 C7 -173.1(10) . . . . ? C10 N2 C6 C5 -167.8(11) . . . . ? Pt1 N2 C6 C5 14.4(14) . . . . ? N1 C5 C6 C7 -169.7(12) . . . . ? C4 C5 C6 C7 0(2) . . . . ? N1 C5 C6 N2 2.8(16) . . . . ? C4 C5 C6 N2 172.8(12) . . . . ? N2 C6 C7 C8 -2(2) . . . . ? C5 C6 C7 C8 169.5(12) . . . . ? C6 C7 C8 C9 -1(2) . . . . ? C6 C7 C8 C12 -179.4(13) . . . . ? C7 C8 C9 C10 2(2) . . . . ? C12 C8 C9 C10 -179.6(13) . . . . ? C6 N2 C10 C9 -3.6(19) . . . . ? Pt1 N2 C10 C9 173.9(10) . . . . ? C8 C9 C10 N2 0(2) . . . . ? N2 Pt1 Pt2 N3 -119.4(4) . . . . ? N2 Pt1 Pt2 N3 60.6(4) 3_766 . . . ? N1 Pt1 Pt2 N3 161.9(4) . . . . ? N1 Pt1 Pt2 N3 -18.1(4) 3_766 . . . ? Pt2 Pt1 Pt2 N3 106(100) 3_766 . . . ? N2 Pt1 Pt2 N4 -38.9(4) . . . . ? N2 Pt1 Pt2 N4 141.1(4) 3_766 . . . ? N1 Pt1 Pt2 N4 -117.5(4) . . . . ? N1 Pt1 Pt2 N4 62.5(4) 3_766 . . . ? Pt2 Pt1 Pt2 N4 -174(100) 3_766 . . . ? N2 Pt1 Pt2 Cl2 146.6(3) . . . . ? N2 Pt1 Pt2 Cl2 -33.4(3) 3_766 . . . ? N1 Pt1 Pt2 Cl2 68.0(3) . . . . ? N1 Pt1 Pt2 Cl2 -112.0(3) 3_766 . . . ? Pt2 Pt1 Pt2 Cl2 12(100) 3_766 . . . ? N2 Pt1 Pt2 Cl1 56.9(3) . . . . ? N2 Pt1 Pt2 Cl1 -123.1(3) 3_766 . . . ? N1 Pt1 Pt2 Cl1 -21.7(3) . . . . ? N1 Pt1 Pt2 Cl1 158.3(3) 3_766 . . . ? Pt2 Pt1 Pt2 Cl1 -78(100) 3_766 . . . ? N4 Pt2 N3 C13 171.2(11) . . . . ? Cl2 Pt2 N3 C13 -10.9(11) . . . . ? Cl1 Pt2 N3 C13 133(4) . . . . ? Pt1 Pt2 N3 C13 -100.2(11) . . . . ? N4 Pt2 N3 C17 -4.3(9) . . . . ? Cl2 Pt2 N3 C17 173.6(8) . . . . ? Cl1 Pt2 N3 C17 -42(4) . . . . ? Pt1 Pt2 N3 C17 84.3(8) . . . . ? N3 Pt2 N4 C18 6.4(9) . . . . ? Cl2 Pt2 N4 C18 -14(4) . . . . ? Cl1 Pt2 N4 C18 -176.4(9) . . . . ? Pt1 Pt2 N4 C18 -86.3(9) . . . . ? N3 Pt2 N4 C22 -176.8(12) . . . . ? Cl2 Pt2 N4 C22 163(3) . . . . ? Cl1 Pt2 N4 C22 0.4(11) . . . . ? Pt1 Pt2 N4 C22 90.6(11) . . . . ? C17 N3 C13 C14 -2(2) . . . . ? Pt2 N3 C13 C14 -177.5(11) . . . . ? N3 C13 C14 C15 2(2) . . . . ? C13 C14 C15 C16 -2(2) . . . . ? C13 C14 C15 C23 177.8(13) . . . . ? C14 C15 C16 C17 1(2) . . . . ? C23 C15 C16 C17 -178.0(14) . . . . ? C15 C16 C17 N3 -1(2) . . . . ? C15 C16 C17 C18 173.8(13) . . . . ? C13 N3 C17 C16 1.7(18) . . . . ? Pt2 N3 C17 C16 177.7(10) . . . . ? C13 N3 C17 C18 -174.1(11) . . . . ? Pt2 N3 C17 C18 1.9(14) . . . . ? C22 N4 C18 C19 -1.2(19) . . . . ? Pt2 N4 C18 C19 176.0(10) . . . . ? C22 N4 C18 C17 175.7(11) . . . . ? Pt2 N4 C18 C17 -7.1(14) . . . . ? C16 C17 C18 N4 -172.1(13) . . . . ? N3 C17 C18 N4 3.4(16) . . . . ? C16 C17 C18 C19 5(2) . . . . ? N3 C17 C18 C19 -179.7(12) . . . . ? N4 C18 C19 C20 2(2) . . . . ? C17 C18 C19 C20 -174.4(12) . . . . ? C18 C19 C20 C21 -1(2) . . . . ? C18 C19 C20 C24 -179.6(13) . . . . ? C19 C20 C21 C22 -2(2) . . . . ? C24 C20 C21 C22 176.9(14) . . . . ? C18 N4 C22 C21 -2(2) . . . . ? Pt2 N4 C22 C21 -178.5(10) . . . . ? C20 C21 C22 N4 3(2) . . . . ? F6 P1 F3 F4 99(8) . . . . ? F2 P1 F3 F4 -94.4(7) . . . . ? F5 P1 F3 F4 88.0(7) . . . . ? F1 P1 F3 F4 177.4(8) . . . . ? F6 P1 F4 F3 -173.9(9) . . . . ? F2 P1 F4 F3 88.5(8) . . . . ? F5 P1 F4 F3 -84.0(7) . . . . ? F1 P1 F4 F3 -155(7) . . . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 2.105 _refine_diff_density_min -1.671 _refine_diff_density_rms 0.192