# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2013 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_c2m _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C35 H59 O3 P3 Pt3' _chemical_formula_weight 1206.00 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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M C2/m loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z' _cell_length_a 19.025(3) _cell_length_b 15.496(2) _cell_length_c 13.934(2) _cell_angle_alpha 90.00 _cell_angle_beta 93.194(2) _cell_angle_gamma 90.00 _cell_volume 4101.4(11) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9920 _cell_measurement_theta_min 2.201 _cell_measurement_theta_max 27.847 _exptl_crystal_description plate _exptl_crystal_colour pale-yellow _exptl_crystal_size_max 0.16 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.11 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.953 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2288 _exptl_absorpt_coefficient_mu 10.354 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.2881 _exptl_absorpt_correction_T_max 0.3955 _exptl_absorpt_process_details ; Data were corrected for Lorentz polarization and absorption effects (empirical absorption correction SADABS). R(int) = 0.1545 (selected reflections only, before parameter refinement) R(int) = 0.0556 (selected reflections only, after parameter refinement) ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(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 18478 _diffrn_reflns_av_R_equivalents 0.0388 _diffrn_reflns_av_unetI/netI 0.0278 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 1.70 _diffrn_reflns_theta_max 25.03 _reflns_number_total 3632 _reflns_number_gt 3339 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 (Bruker AXS, 2006)' _computing_cell_refinement 'APEX2 (Bruker AXS, 2006)' _computing_data_reduction 'SAINT (Bruker AXS, 2004)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEPII (Johnson, 1996)' _computing_publication_material 'XCIF (Bruker AXS, 2001)' _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 following restraints were applied (given as SHELXL lines): eqiv $1 1-x, y, -z dfix -2.1 .01 h15b h15b_$1 SIMU 0.005 $C isor .005 $c isor .01 $o ; _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^)+(0.0757P)^2^+122.9937P] 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 3632 _refine_ls_number_parameters 224 _refine_ls_number_restraints 270 _refine_ls_R_factor_all 0.0523 _refine_ls_R_factor_gt 0.0475 _refine_ls_wR_factor_ref 0.1286 _refine_ls_wR_factor_gt 0.1245 _refine_ls_goodness_of_fit_ref 1.083 _refine_ls_restrained_S_all 1.058 _refine_ls_shift/su_max 0.001 _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 0.3164(7) 0.2049(9) 0.2488(11) 0.044(3) Uani 1 1 d U . . C2 C 0.0395(8) 0.0000 0.2546(12) 0.027(2) Uani 1 2 d SU . . C3 C -0.0245(8) 0.0000 0.2575(12) 0.028(2) Uani 1 2 d SU . . C4 C -0.1023(8) 0.0000 0.2592(12) 0.0293(19) Uani 1 2 d SU . . C5 C -0.1445(8) 0.0000 0.1745(12) 0.029(2) Uani 1 2 d SU . . H5 H -0.1239 0.0000 0.1139 0.035 Uiso 1 2 calc SR . . C6 C -0.2190(8) 0.0000 0.1801(11) 0.027(2) Uani 1 2 d SU . . H6 H -0.2489 0.0000 0.1232 0.032 Uiso 1 2 calc SR . . C7 C -0.2471(8) 0.0000 0.2693(11) 0.0254(19) Uani 1 2 d SU . . C8 C -0.2051(8) 0.0000 0.3519(12) 0.029(2) Uani 1 2 d SU . . H8 H -0.2258 0.0000 0.4124 0.034 Uiso 1 2 calc SR . . C9 C -0.1326(9) 0.0000 0.3481(12) 0.030(2) Uani 1 2 d SU . . H9 H -0.1035 0.0000 0.4058 0.036 Uiso 1 2 calc SR . . C10 C -0.3244(8) 0.0000 0.2765(11) 0.023(2) Uani 1 2 d SU . . H10 H -0.3412 0.0000 0.3395 0.028 Uiso 1 2 calc SR . . C11 C 0.4201(8) 0.0000 0.3479(11) 0.026(3) Uani 1 2 d SU . . C12 C 0.4672(7) 0.0800(10) 0.3500(10) 0.043(3) Uani 1 1 d U . . H12A H 0.4379 0.1319 0.3441 0.064 Uiso 1 1 calc R . . H12B H 0.4984 0.0775 0.2964 0.064 Uiso 1 1 calc R . . H12C H 0.4955 0.0817 0.4109 0.064 Uiso 1 1 calc R . . C13 C 0.3752(8) 0.0000 0.4369(11) 0.029(3) Uani 1 2 d SU . . H13A H 0.3368 -0.0418 0.4275 0.043 Uiso 0.50 1 calc PR . . H13B H 0.3556 0.0577 0.4458 0.043 Uiso 0.50 1 calc PR . . H13C H 0.4049 -0.0159 0.4940 0.043 Uiso 0.50 1 calc PR . . C14 C 0.3954(9) 0.0000 0.1190(11) 0.030(3) Uani 1 2 d SU . . C15 C 0.4414(7) 0.0783(9) 0.1071(9) 0.037(3) Uani 1 1 d U . . H15A H 0.4155 0.1304 0.1238 0.055 Uiso 1 1 calc R . . H15B H 0.4545 0.0822 0.0402 0.055 Uiso 1 1 calc RD . . H15C H 0.4840 0.0732 0.1495 0.055 Uiso 1 1 calc R . . C16 C 0.3344(9) 0.0000 0.0459(12) 0.032(3) Uani 1 2 d SU . . H16A H 0.2983 0.0403 0.0660 0.048 Uiso 0.50 1 calc PR . . H16B H 0.3145 -0.0582 0.0406 0.048 Uiso 0.50 1 calc PR . . H16C H 0.3507 0.0180 -0.0165 0.048 Uiso 0.50 1 calc PR . . C17 C 0.1310(6) 0.2018(8) 0.3681(8) 0.030(2) Uani 1 1 d U . . C18 C 0.1514(6) 0.2980(8) 0.3652(9) 0.033(2) Uani 1 1 d U . . H18A H 0.1186 0.3286 0.3204 0.049 Uiso 1 1 calc R . . H18B H 0.1994 0.3036 0.3439 0.049 Uiso 1 1 calc R . . H18C H 0.1490 0.3229 0.4296 0.049 Uiso 1 1 calc R . . C19 C 0.1763(7) 0.1572(8) 0.4478(9) 0.035(2) Uani 1 1 d U . . H19A H 0.2261 0.1695 0.4393 0.053 Uiso 1 1 calc R . . H19B H 0.1684 0.0948 0.4445 0.053 Uiso 1 1 calc R . . H19C H 0.1634 0.1788 0.5105 0.053 Uiso 1 1 calc R . . C20 C 0.0540(6) 0.1908(9) 0.3895(9) 0.037(3) Uani 1 1 d U . . H20A H 0.0242 0.2194 0.3393 0.056 Uiso 1 1 calc R . . H20B H 0.0456 0.2167 0.4520 0.056 Uiso 1 1 calc R . . H20C H 0.0424 0.1292 0.3908 0.056 Uiso 1 1 calc R . . C21 C 0.1154(7) 0.2017(9) 0.1414(9) 0.037(2) Uani 1 1 d U . . C22 C 0.1614(8) 0.2824(9) 0.1165(10) 0.046(3) Uani 1 1 d U . . H22A H 0.2113 0.2690 0.1301 0.069 Uiso 1 1 calc R . . H22B H 0.1482 0.3317 0.1557 0.069 Uiso 1 1 calc R . . H22C H 0.1533 0.2967 0.0483 0.069 Uiso 1 1 calc R . . C23 C 0.1253(7) 0.1374(9) 0.0578(9) 0.041(3) Uani 1 1 d U . . H23A H 0.0978 0.0851 0.0680 0.061 Uiso 1 1 calc R . . H23B H 0.1752 0.1224 0.0557 0.061 Uiso 1 1 calc R . . H23C H 0.1091 0.1642 -0.0032 0.061 Uiso 1 1 calc R . . C24 C 0.0401(7) 0.2250(10) 0.1462(10) 0.046(3) Uani 1 1 d U . . H24A H 0.0153 0.1784 0.1778 0.069 Uiso 1 1 calc R . . H24B H 0.0192 0.2333 0.0810 0.069 Uiso 1 1 calc R . . H24C H 0.0361 0.2785 0.1829 0.069 Uiso 1 1 calc R . . O1 O 0.3465(5) 0.2689(7) 0.2491(9) 0.061(3) Uani 1 1 d U . . O2 O -0.3687(5) 0.0000 0.2102(8) 0.028(2) Uani 1 2 d SU . . P1 P 0.35537(18) 0.0000 0.2402(3) 0.0198(7) Uani 1 2 d S . . P2 P 0.15246(13) 0.14578(16) 0.2535(2) 0.0218(5) Uani 1 1 d . . . Pt1 Pt 0.14097(3) 0.0000 0.25428(5) 0.02346(17) Uani 1 2 d S . . Pt2 Pt 0.267686(18) 0.10274(2) 0.24841(3) 0.02135(16) 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 0.039(4) 0.041(5) 0.051(5) 0.000(4) 0.006(4) -0.001(4) C2 0.026(4) 0.029(4) 0.025(4) 0.000 -0.003(3) 0.000 C3 0.027(3) 0.031(3) 0.027(3) 0.000 -0.003(3) 0.000 C4 0.029(3) 0.030(3) 0.029(3) 0.000 -0.001(3) 0.000 C5 0.029(3) 0.031(3) 0.028(3) 0.000 0.003(3) 0.000 C6 0.026(3) 0.030(3) 0.024(3) 0.000 0.003(3) 0.000 C7 0.026(3) 0.027(3) 0.024(3) 0.000 0.001(3) 0.000 C8 0.028(3) 0.031(3) 0.026(3) 0.000 0.001(3) 0.000 C9 0.029(3) 0.033(3) 0.028(3) 0.000 -0.002(3) 0.000 C10 0.024(4) 0.023(4) 0.022(4) 0.000 0.002(3) 0.000 C11 0.023(4) 0.032(4) 0.023(4) 0.000 -0.004(3) 0.000 C12 0.042(4) 0.050(4) 0.036(4) 0.004(4) -0.007(4) -0.009(4) C13 0.028(4) 0.033(5) 0.026(5) 0.000 0.003(4) 0.000 C14 0.032(4) 0.035(4) 0.023(4) 0.000 0.004(4) 0.000 C15 0.039(4) 0.042(4) 0.031(4) 0.000(3) 0.006(3) -0.004(4) C16 0.031(5) 0.038(5) 0.027(5) 0.000 0.004(4) 0.000 C17 0.032(3) 0.034(4) 0.025(3) -0.002(3) 0.005(3) 0.003(3) C18 0.034(4) 0.032(4) 0.033(4) -0.003(3) 0.004(3) 0.000(3) C19 0.039(4) 0.034(4) 0.033(4) -0.001(3) 0.005(3) 0.007(3) C20 0.036(4) 0.041(4) 0.037(4) -0.001(4) 0.010(3) 0.000(4) C21 0.039(4) 0.039(4) 0.033(4) 0.000(3) -0.004(3) 0.003(3) C22 0.053(4) 0.043(4) 0.042(4) 0.006(4) 0.001(4) -0.001(4) C23 0.045(4) 0.041(4) 0.035(4) 0.003(4) -0.004(4) 0.005(4) C24 0.049(4) 0.048(4) 0.040(4) 0.000(4) -0.003(4) 0.008(4) O1 0.047(5) 0.043(5) 0.093(6) -0.005(5) 0.008(5) -0.004(4) O2 0.019(5) 0.034(5) 0.033(5) 0.000 0.013(4) 0.000 P1 0.0176(17) 0.0238(18) 0.0182(19) 0.000 0.0023(14) 0.000 P2 0.0237(12) 0.0189(12) 0.0225(13) 0.0008(11) -0.0004(11) 0.0045(10) Pt1 0.0236(3) 0.0229(3) 0.0235(3) 0.000 -0.0018(2) 0.000 Pt2 0.0171(2) 0.0240(2) 0.0230(3) 0.00030(16) 0.00163(17) 0.00006(14) _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 O1 1.145(17) . ? C1 Pt2 1.834(14) . ? C2 C3 1.22(2) . ? C2 Pt1 1.931(15) . ? C3 C4 1.48(2) . ? C4 C5 1.39(2) . ? C4 C9 1.39(2) . ? C5 C6 1.42(2) . ? C5 H5 0.9500 . ? C6 C7 1.38(2) . ? C6 H6 0.9500 . ? C7 C8 1.36(2) . ? C7 C10 1.48(2) . ? C8 C9 1.38(2) . ? C8 H8 0.9500 . ? C9 H9 0.9500 . ? C10 O2 1.215(18) . ? C10 H10 0.9500 . ? C11 C12 1.528(16) . ? C11 C12 1.528(16) 6 ? C11 C13 1.54(2) . ? C11 P1 1.888(15) . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 C16 1.50(2) . ? C14 C15 1.512(16) . ? C14 C15 1.512(16) 6 ? C14 P1 1.890(16) . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? C17 C20 1.522(16) . ? C17 C19 1.532(16) . ? C17 C18 1.540(17) . ? C17 P2 1.883(11) . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 C24 1.481(19) . ? C21 C23 1.553(18) . ? C21 C22 1.576(19) . ? C21 P2 1.889(13) . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? P1 Pt2 2.313(3) 6 ? P1 Pt2 2.313(3) . ? P2 Pt1 2.270(3) . ? P2 Pt2 2.296(3) . ? Pt1 P2 2.270(3) 6 ? Pt1 Pt2 2.8940(7) . ? Pt1 Pt2 2.8940(7) 6 ? Pt2 Pt2 3.1840(9) 6 ? 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 O1 C1 Pt2 179.7(14) . . ? C3 C2 Pt1 178.2(15) . . ? C2 C3 C4 179.1(18) . . ? C5 C4 C9 120.5(15) . . ? C5 C4 C3 121.0(15) . . ? C9 C4 C3 118.5(14) . . ? C4 C5 C6 118.9(15) . . ? C4 C5 H5 120.6 . . ? C6 C5 H5 120.6 . . ? C7 C6 C5 119.1(15) . . ? C7 C6 H6 120.5 . . ? C5 C6 H6 120.5 . . ? C8 C7 C6 121.4(15) . . ? C8 C7 C10 118.7(14) . . ? C6 C7 C10 119.8(14) . . ? C7 C8 C9 120.4(16) . . ? C7 C8 H8 119.8 . . ? C9 C8 H8 119.8 . . ? C8 C9 C4 119.7(15) . . ? C8 C9 H9 120.1 . . ? C4 C9 H9 120.1 . . ? O2 C10 C7 126.7(14) . . ? O2 C10 H10 116.6 . . ? C7 C10 H10 116.6 . . ? C12 C11 C12 108.3(15) . 6 ? C12 C11 C13 109.5(9) . . ? C12 C11 C13 109.5(9) 6 . ? C12 C11 P1 111.8(8) . . ? C12 C11 P1 111.8(8) 6 . ? C13 C11 P1 105.9(10) . . ? C11 C12 H12A 109.5 . . ? C11 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C11 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C11 C13 H13A 109.5 . . ? C11 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C11 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C16 C14 C15 110.8(9) . . ? C16 C14 C15 110.8(9) . 6 ? C15 C14 C15 106.8(14) . 6 ? C16 C14 P1 105.8(11) . . ? C15 C14 P1 111.3(8) . . ? C15 C14 P1 111.3(8) 6 . ? C14 C15 H15A 109.5 . . ? C14 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C14 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C14 C16 H16A 109.5 . . ? C14 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C14 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C20 C17 C19 108.4(10) . . ? C20 C17 C18 111.1(10) . . ? C19 C17 C18 108.9(10) . . ? C20 C17 P2 111.8(8) . . ? C19 C17 P2 105.5(8) . . ? C18 C17 P2 111.0(8) . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C17 C19 H19A 109.5 . . ? C17 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C17 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C17 C20 H20A 109.5 . . ? C17 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C17 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C24 C21 C23 110.4(11) . . ? C24 C21 C22 111.6(12) . . ? C23 C21 C22 104.6(11) . . ? C24 C21 P2 113.0(9) . . ? C23 C21 P2 105.7(9) . . ? C22 C21 P2 111.1(9) . . ? C21 C22 H22A 109.5 . . ? C21 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C21 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C21 C23 H23A 109.5 . . ? C21 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C21 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C21 C24 H24A 109.5 . . ? C21 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C21 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C14 P1 C11 115.6(7) . . ? C14 P1 Pt2 111.8(4) . 6 ? C11 P1 Pt2 113.6(3) . 6 ? C14 P1 Pt2 111.8(4) . . ? C11 P1 Pt2 113.6(3) . . ? Pt2 P1 Pt2 86.97(12) 6 . ? C17 P2 C21 113.6(5) . . ? C17 P2 Pt1 115.4(4) . . ? C21 P2 Pt1 115.4(4) . . ? C17 P2 Pt2 114.4(4) . . ? C21 P2 Pt2 114.9(4) . . ? Pt1 P2 Pt2 78.66(8) . . ? C2 Pt1 P2 95.54(7) . . ? C2 Pt1 P2 95.54(7) . 6 ? P2 Pt1 P2 168.90(13) . 6 ? C2 Pt1 Pt2 146.58(3) . . ? P2 Pt1 Pt2 51.08(7) . . ? P2 Pt1 Pt2 117.83(7) 6 . ? C2 Pt1 Pt2 146.58(3) . 6 ? P2 Pt1 Pt2 117.83(7) . 6 ? P2 Pt1 Pt2 51.08(7) 6 6 ? Pt2 Pt1 Pt2 66.75(2) . 6 ? C1 Pt2 P2 103.4(4) . . ? C1 Pt2 P1 103.2(4) . . ? P2 Pt2 P1 153.34(9) . . ? C1 Pt2 Pt1 153.6(4) . . ? P2 Pt2 Pt1 50.26(7) . . ? P1 Pt2 Pt1 103.12(6) . . ? C1 Pt2 Pt2 149.7(4) . 6 ? P2 Pt2 Pt2 106.88(7) . 6 ? P1 Pt2 Pt2 46.51(6) . 6 ? Pt1 Pt2 Pt2 56.626(11) . 6 ? 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 C2 C3 C4 180.00(7) . . . . ? C2 C3 C4 C5 0.00(9) . . . . ? C2 C3 C4 C9 180.00(9) . . . . ? C9 C4 C5 C6 0.000(1) . . . . ? C3 C4 C5 C6 180.000(1) . . . . ? C4 C5 C6 C7 0.000(1) . . . . ? C5 C6 C7 C8 0.000(2) . . . . ? C5 C6 C7 C10 180.0 . . . . ? C6 C7 C8 C9 0.000(2) . . . . ? C10 C7 C8 C9 180.000(2) . . . . ? C7 C8 C9 C4 0.000(2) . . . . ? C5 C4 C9 C8 0.000(2) . . . . ? C3 C4 C9 C8 180.000(2) . . . . ? C8 C7 C10 O2 180.000(1) . . . . ? C6 C7 C10 O2 0.000(2) . . . . ? C16 C14 P1 C11 180.0 . . . . ? C15 C14 P1 C11 -59.5(9) . . . . ? C15 C14 P1 C11 59.5(9) 6 . . . ? C16 C14 P1 Pt2 47.84(18) . . . 6 ? C15 C14 P1 Pt2 168.3(8) . . . 6 ? C15 C14 P1 Pt2 -72.6(11) 6 . . 6 ? C16 C14 P1 Pt2 -47.84(18) . . . . ? C15 C14 P1 Pt2 72.6(11) . . . . ? C15 C14 P1 Pt2 -168.3(8) 6 . . . ? C12 C11 P1 C14 60.8(10) . . . . ? C12 C11 P1 C14 -60.8(10) 6 . . . ? C13 C11 P1 C14 180.000(1) . . . . ? C12 C11 P1 Pt2 -167.9(9) . . . 6 ? C12 C11 P1 Pt2 70.5(11) 6 . . 6 ? C13 C11 P1 Pt2 -48.69(19) . . . 6 ? C12 C11 P1 Pt2 -70.5(11) . . . . ? C12 C11 P1 Pt2 167.9(9) 6 . . . ? C13 C11 P1 Pt2 48.69(19) . . . . ? C20 C17 P2 C21 72.6(10) . . . . ? C19 C17 P2 C21 -169.8(8) . . . . ? C18 C17 P2 C21 -52.0(10) . . . . ? C20 C17 P2 Pt1 -64.1(9) . . . . ? C19 C17 P2 Pt1 53.5(9) . . . . ? C18 C17 P2 Pt1 171.3(7) . . . . ? C20 C17 P2 Pt2 -152.8(7) . . . . ? C19 C17 P2 Pt2 -35.1(9) . . . . ? C18 C17 P2 Pt2 82.6(8) . . . . ? C24 C21 P2 C17 -48.1(11) . . . . ? C23 C21 P2 C17 -168.9(8) . . . . ? C22 C21 P2 C17 78.2(10) . . . . ? C24 C21 P2 Pt1 88.6(10) . . . . ? C23 C21 P2 Pt1 -32.2(10) . . . . ? C22 C21 P2 Pt1 -145.1(8) . . . . ? C24 C21 P2 Pt2 177.5(8) . . . . ? C23 C21 P2 Pt2 56.7(9) . . . . ? C22 C21 P2 Pt2 -56.2(10) . . . . ? C3 C2 Pt1 P2 -90.27(10) . . . . ? C3 C2 Pt1 P2 90.27(11) . . . 6 ? C3 C2 Pt1 Pt2 -92.7(8) . . . . ? C3 C2 Pt1 Pt2 92.7(8) . . . 6 ? C17 P2 Pt1 C2 70.0(6) . . . . ? C21 P2 Pt1 C2 -65.9(7) . . . . ? Pt2 P2 Pt1 C2 -178.3(5) . . . . ? C17 P2 Pt1 P2 -112.8(8) . . . 6 ? C21 P2 Pt1 P2 111.3(8) . . . 6 ? Pt2 P2 Pt1 P2 -1.1(8) . . . 6 ? C17 P2 Pt1 Pt2 -111.7(4) . . . . ? C21 P2 Pt1 Pt2 112.4(5) . . . . ? C17 P2 Pt1 Pt2 -111.9(4) . . . 6 ? C21 P2 Pt1 Pt2 112.2(5) . . . 6 ? Pt2 P2 Pt1 Pt2 -0.13(10) . . . 6 ? O1 C1 Pt2 P2 19(100) . . . . ? O1 C1 Pt2 P1 -162(100) . . . . ? O1 C1 Pt2 Pt1 17(100) . . . . ? O1 C1 Pt2 Pt2 -159(100) . . . 6 ? C17 P2 Pt2 C1 -65.8(6) . . . . ? C21 P2 Pt2 C1 68.3(7) . . . . ? Pt1 P2 Pt2 C1 -178.8(5) . . . . ? C17 P2 Pt2 P1 116.4(5) . . . . ? C21 P2 Pt2 P1 -109.5(5) . . . . ? Pt1 P2 Pt2 P1 3.5(3) . . . . ? C17 P2 Pt2 Pt1 113.0(4) . . . . ? C21 P2 Pt2 Pt1 -112.9(5) . . . . ? C17 P2 Pt2 Pt2 113.1(4) . . . 6 ? C21 P2 Pt2 Pt2 -112.8(5) . . . 6 ? Pt1 P2 Pt2 Pt2 0.11(8) . . . 6 ? C14 P1 Pt2 C1 -69.9(7) . . . . ? C11 P1 Pt2 C1 63.3(6) . . . . ? Pt2 P1 Pt2 C1 177.8(5) 6 . . . ? C14 P1 Pt2 P2 107.9(5) . . . . ? C11 P1 Pt2 P2 -119.0(5) . . . . ? Pt2 P1 Pt2 P2 -4.4(3) 6 . . . ? C14 P1 Pt2 Pt1 110.6(4) . . . . ? C11 P1 Pt2 Pt1 -116.2(4) . . . . ? Pt2 P1 Pt2 Pt1 -1.70(11) 6 . . . ? C14 P1 Pt2 Pt2 112.3(4) . . . 6 ? C11 P1 Pt2 Pt2 -114.5(4) . . . 6 ? C2 Pt1 Pt2 C1 5.8(14) . . . . ? P2 Pt1 Pt2 C1 2.7(11) . . . . ? P2 Pt1 Pt2 C1 -177.6(11) 6 . . . ? Pt2 Pt1 Pt2 C1 -177.5(11) 6 . . . ? C2 Pt1 Pt2 P2 3.2(9) . . . . ? P2 Pt1 Pt2 P2 179.76(17) 6 . . . ? Pt2 Pt1 Pt2 P2 179.87(9) 6 . . . ? C2 Pt1 Pt2 P1 -175.2(9) . . . . ? P2 Pt1 Pt2 P1 -178.40(13) . . . . ? P2 Pt1 Pt2 P1 1.36(13) 6 . . . ? Pt2 Pt1 Pt2 P1 1.47(10) 6 . . . ? C2 Pt1 Pt2 Pt2 -176.7(9) . . . 6 ? P2 Pt1 Pt2 Pt2 -179.87(9) . . . 6 ? P2 Pt1 Pt2 Pt2 -0.11(8) 6 . . 6 ? _diffrn_measured_fraction_theta_max 0.960 _diffrn_reflns_theta_full 25.03 _diffrn_measured_fraction_theta_full 0.960 _refine_diff_density_max 5.830 _refine_diff_density_min -1.700 _refine_diff_density_rms 0.271 _database_code_depnum_ccdc_archive 'CCDC 952779'