data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _publ_contact_author_name 'Prof. Dr. Holger Braunschweig' _publ_contact_author_address ; Institut fuer Anorganische Chemie Universitaet Wuerzburg Am Hubland 97074 Wuerzburg, Germany ; _publ_contact_author_email H.Braunschweig@mail.uni-wuerzburg.de _publ_contact_author_fax +49-931-3184623 _publ_contact_author_phone +49-931-3185260 _publ_requested_category ? _publ_requested_coeditor_name ? _publ_contact_letter ; ? ; _publ_section_title ; Reactivity of a Platinum-substituted Borirene ; _publ_section_abstract ; We report on (i) the reactivity of the title compound 1, which underwent a photochemical rearrangement reaction to afford the platinum boryl complex 2, (ii) a ring-opening reaction by chemoselective boron-carbon bond cleavage resulting in the amino(vinyl)borane 3, and (iii) a Cl-Br ligand exchange on the platinum atom yielding the Br-derivate 4. All compounds were fully characterized by multinuclear NMR spectroscopy and single crystal X-ray diffraction analysis. ; loop_ _publ_author_name _publ_author_address H.Braunschweig ; Institut fuer Anorganische Chemie Universitaet Wuerzburg Am Hubland D-97074 Wuerzburg, Germany ; Q.Ye ; Institut fuer Anorganische Chemie Universitaet Wuerzburg Am Hubland D-97074 Wuerzburg, Germany ; T.Kupfer ; Institut fuer Anorganische Chemie Universitaet Wuerzburg Am Hubland D-97074 Wuerzburg, Germany ; K.Radacki ; Institut fuer Anorganische Chemie Universitaet Wuerzburg Am Hubland D-97074 Wuerzburg, Germany ; ################################################################################ data_2 _database_code_depnum_ccdc_archive 'CCDC 803477' #TrackingRef '- all.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ; ? ; _chemical_melting_point ? _chemical_formula_moiety 'C20 H41 B Cl N P2 Pt Si2, 0.5(C6 H14)' _chemical_formula_sum 'C23 H48 B Cl N P2 Pt Si2' _chemical_formula_weight 698.09 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' Si Si 0.0817 0.0704 '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' Cl Cl 0.1484 0.1585 '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 P2(1)/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 9.4809(6) _cell_length_b 9.6771(6) _cell_length_c 33.348(2) _cell_angle_alpha 90.00 _cell_angle_beta 91.352(3) _cell_angle_gamma 90.00 _cell_volume 3058.7(3) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9348 _cell_measurement_theta_min 2.43 _cell_measurement_theta_max 26.38 _exptl_crystal_description plate _exptl_crystal_colour colourless _exptl_crystal_size_max 0.29 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.516 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1404 _exptl_absorpt_coefficient_mu 4.870 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5577 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_process_details 'Sadabs 2008/1 (Brucker 2008)' _exptl_special_details ; The crystal was immersed in a film of perfluoropolyether oil, mounted on a polyimide microloop (MicroMounts of MiTeGen) and transferred to stream of cold nitrogen (Oxford Cryostream 700). ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator 'multi-layer mirror' _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 74731 _diffrn_reflns_av_R_equivalents 0.0373 _diffrn_reflns_av_sigmaI/netI 0.0163 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -41 _diffrn_reflns_limit_l_max 41 _diffrn_reflns_theta_min 2.15 _diffrn_reflns_theta_max 26.39 _reflns_number_total 6243 _reflns_number_gt 5934 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 ver. 2008.3 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.53A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.53A (Bruker AXS)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'XP ver. 5.1 (Bruker AXS, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0200P)^2^+39.0083P] 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 6243 _refine_ls_number_parameters 303 _refine_ls_number_restraints 219 _refine_ls_R_factor_all 0.0490 _refine_ls_R_factor_gt 0.0469 _refine_ls_wR_factor_ref 0.1127 _refine_ls_wR_factor_gt 0.1115 _refine_ls_goodness_of_fit_ref 1.224 _refine_ls_restrained_S_all 1.219 _refine_ls_shift/su_max 0.004 _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 Pt1 Pt 0.25592(3) 0.35537(3) 0.796422(8) 0.02484(9) Uani 1 1 d D A . Cl1 Cl 0.27137(17) 0.32642(17) 0.72223(5) 0.0277(3) Uani 1 1 d . . . P1 P 0.4216(2) 0.18306(19) 0.80354(6) 0.0307(4) Uani 1 1 d . . . P2 P 0.07865(19) 0.51501(19) 0.79074(6) 0.0286(4) Uani 1 1 d . . . C1 C 0.4977(10) 0.1441(10) 0.8529(3) 0.052(2) Uani 1 1 d . . . H1A H 0.5661 0.0687 0.8507 0.078 Uiso 1 1 calc R . . H1B H 0.4226 0.1162 0.8709 0.078 Uiso 1 1 calc R . . H1C H 0.5453 0.2264 0.8637 0.078 Uiso 1 1 calc R . . C2 C 0.5767(8) 0.2011(9) 0.7732(3) 0.042(2) Uani 1 1 d . . . H2A H 0.6339 0.1169 0.7754 0.063 Uiso 1 1 calc R . . H2B H 0.6325 0.2803 0.7828 0.063 Uiso 1 1 calc R . . H2C H 0.5477 0.2158 0.7452 0.063 Uiso 1 1 calc R . . C3 C 0.3516(9) 0.0181(8) 0.7879(3) 0.043(2) Uani 1 1 d . . . H3A H 0.3240 0.0223 0.7594 0.065 Uiso 1 1 calc R . . H3B H 0.2689 -0.0043 0.8037 0.065 Uiso 1 1 calc R . . H3C H 0.4238 -0.0533 0.7919 0.065 Uiso 1 1 calc R . . C4 C 0.1076(10) 0.6816(9) 0.8142(3) 0.049(2) Uani 1 1 d . . . H4A H 0.1903 0.7258 0.8027 0.073 Uiso 1 1 calc R . . H4B H 0.1237 0.6690 0.8432 0.073 Uiso 1 1 calc R . . H4C H 0.0245 0.7402 0.8096 0.073 Uiso 1 1 calc R . . C5 C -0.0867(9) 0.4598(10) 0.8118(3) 0.052(2) Uani 1 1 d . . . H5A H -0.0728 0.4418 0.8405 0.078 Uiso 1 1 calc R . . H5B H -0.1190 0.3751 0.7983 0.078 Uiso 1 1 calc R . . H5C H -0.1576 0.5325 0.8079 0.078 Uiso 1 1 calc R . . C6 C 0.0268(8) 0.5644(9) 0.7400(2) 0.0360(17) Uani 1 1 d . . . H6A H -0.0530 0.6287 0.7408 0.054 Uiso 1 1 calc R . . H6B H -0.0009 0.4819 0.7247 0.054 Uiso 1 1 calc R . . H6C H 0.1064 0.6094 0.7270 0.054 Uiso 1 1 calc R . . B1 B 0.2361(9) 0.3632(10) 0.8563(3) 0.0346(19) Uani 1 1 d D . . N1A N 0.3136(13) 0.4382(14) 0.8878(3) 0.032(2) Uani 0.492(8) 1 d PDU A 1 Si1A Si 0.4586(6) 0.5501(6) 0.87871(16) 0.0317(7) Uani 0.492(8) 1 d PDU A 1 Si2A Si 0.2528(9) 0.4151(9) 0.9374(2) 0.0551(14) Uani 0.492(8) 1 d PDU A 1 C11A C 0.609(2) 0.493(3) 0.9111(7) 0.053(4) Uani 0.492(8) 1 d PU A 1 H11A H 0.6111 0.3919 0.9122 0.079 Uiso 0.492(8) 1 calc PR A 1 H11B H 0.5982 0.5301 0.9382 0.079 Uiso 0.492(8) 1 calc PR A 1 H11C H 0.6974 0.5271 0.9001 0.079 Uiso 0.492(8) 1 calc PR A 1 C12A C 0.416(2) 0.737(2) 0.8926(7) 0.048(4) Uani 0.492(8) 1 d PU A 1 H12A H 0.4207 0.7954 0.8687 0.073 Uiso 0.492(8) 1 calc PR A 1 H12B H 0.4838 0.7696 0.9130 0.073 Uiso 0.492(8) 1 calc PR A 1 H12C H 0.3202 0.7413 0.9033 0.073 Uiso 0.492(8) 1 calc PR A 1 C13A C 0.526(3) 0.539(3) 0.8281(11) 0.043(4) Uani 0.492(8) 1 d PU A 1 H13A H 0.5586 0.4440 0.8231 0.064 Uiso 0.492(8) 1 calc PR A 1 H13B H 0.6057 0.6026 0.8254 0.064 Uiso 0.492(8) 1 calc PR A 1 H13C H 0.4516 0.5627 0.8086 0.064 Uiso 0.492(8) 1 calc PR A 1 C14A C 0.330(3) 0.254(3) 0.9585(8) 0.068(5) Uani 0.492(8) 1 d PU A 1 H14A H 0.3102 0.1770 0.9400 0.102 Uiso 0.492(8) 1 calc PR A 1 H14B H 0.2873 0.2341 0.9844 0.102 Uiso 0.492(8) 1 calc PR A 1 H14C H 0.4318 0.2649 0.9622 0.102 Uiso 0.492(8) 1 calc PR A 1 C15A C 0.306(3) 0.566(3) 0.9711(8) 0.072(5) Uani 0.492(8) 1 d PU A 1 H15A H 0.4088 0.5769 0.9713 0.108 Uiso 0.492(8) 1 calc PR A 1 H15B H 0.2748 0.5488 0.9984 0.108 Uiso 0.492(8) 1 calc PR A 1 H15C H 0.2617 0.6512 0.9608 0.108 Uiso 0.492(8) 1 calc PR A 1 C16A C 0.055(3) 0.419(3) 0.9402(8) 0.063(4) Uani 0.492(8) 1 d PU A 1 H16A H 0.0180 0.4936 0.9230 0.095 Uiso 0.492(8) 1 calc PR A 1 H16B H 0.0282 0.4364 0.9680 0.095 Uiso 0.492(8) 1 calc PR A 1 H16C H 0.0164 0.3306 0.9311 0.095 Uiso 0.492(8) 1 calc PR A 1 N1B N 0.2721(13) 0.4703(12) 0.8864(3) 0.032(2) Uani 0.508(8) 1 d PDU A 2 Si1B Si 0.4213(6) 0.5815(6) 0.88089(16) 0.0317(7) Uani 0.508(8) 1 d PDU A 2 Si2B Si 0.2002(9) 0.4635(9) 0.9353(2) 0.0551(14) Uani 0.508(8) 1 d PDU A 2 C11B C 0.561(2) 0.532(2) 0.9196(7) 0.053(4) Uani 0.508(8) 1 d PU A 2 H11D H 0.5371 0.5717 0.9456 0.079 Uiso 0.508(8) 1 calc PR A 2 H11E H 0.6526 0.5668 0.9114 0.079 Uiso 0.508(8) 1 calc PR A 2 H11F H 0.5647 0.4308 0.9219 0.079 Uiso 0.508(8) 1 calc PR A 2 C12B C 0.380(2) 0.769(2) 0.8841(7) 0.048(4) Uani 0.508(8) 1 d PU A 2 H12D H 0.2910 0.7878 0.8697 0.073 Uiso 0.508(8) 1 calc PR A 2 H12E H 0.4561 0.8223 0.8721 0.073 Uiso 0.508(8) 1 calc PR A 2 H12F H 0.3717 0.7954 0.9123 0.073 Uiso 0.508(8) 1 calc PR A 2 C13B C 0.506(3) 0.563(3) 0.8318(10) 0.043(4) Uani 0.508(8) 1 d PU A 2 H13D H 0.5529 0.4733 0.8304 0.064 Uiso 0.508(8) 1 calc PR A 2 H13E H 0.5757 0.6371 0.8287 0.064 Uiso 0.508(8) 1 calc PR A 2 H13F H 0.4341 0.5701 0.8103 0.064 Uiso 0.508(8) 1 calc PR A 2 C14B C 0.272(3) 0.312(3) 0.9649(7) 0.068(5) Uani 0.508(8) 1 d PU A 2 H14D H 0.2528 0.2263 0.9501 0.102 Uiso 0.508(8) 1 calc PR A 2 H14E H 0.2267 0.3081 0.9910 0.102 Uiso 0.508(8) 1 calc PR A 2 H14F H 0.3742 0.3228 0.9690 0.102 Uiso 0.508(8) 1 calc PR A 2 C15B C 0.242(3) 0.617(3) 0.9662(8) 0.072(5) Uani 0.508(8) 1 d PU A 2 H15D H 0.3436 0.6336 0.9664 0.108 Uiso 0.508(8) 1 calc PR A 2 H15E H 0.2110 0.6012 0.9937 0.108 Uiso 0.508(8) 1 calc PR A 2 H15F H 0.1922 0.6975 0.9549 0.108 Uiso 0.508(8) 1 calc PR A 2 C16B C 0.002(2) 0.463(3) 0.9310(8) 0.063(4) Uani 0.508(8) 1 d PU A 2 H16D H -0.0290 0.5330 0.9115 0.095 Uiso 0.508(8) 1 calc PR A 2 H16E H -0.0374 0.4833 0.9572 0.095 Uiso 0.508(8) 1 calc PR A 2 H16F H -0.0303 0.3715 0.9219 0.095 Uiso 0.508(8) 1 calc PR A 2 C21A C 0.1445(11) 0.2362(11) 0.8714(3) 0.0382(18) Uani 0.520(15) 1 d PDU A 1 C22A C 0.0823(13) 0.1378(12) 0.8785(5) 0.043(2) Uani 0.520(15) 1 d PDU A 1 C23A C 0.0198(7) 0.0092(8) 0.89582(14) 0.052(2) Uani 0.520(15) 1 d PGDU A 1 C24A C 0.0615(12) -0.0445(11) 0.9329(2) 0.074(4) Uani 0.520(15) 1 d PGDU A 1 H24A H 0.1328 0.0006 0.9485 0.089 Uiso 0.520(15) 1 calc PR A 1 C25A C -0.0012(15) -0.1642(12) 0.9471(3) 0.079(5) Uani 0.480(15) 1 d PGDU A 1 H25A H 0.0273 -0.2009 0.9725 0.094 Uiso 0.480(15) 1 calc PR A 1 C26A C -0.1055(12) -0.2301(10) 0.9242(3) 0.071(5) Uani 0.520(15) 1 d PGDU A 1 H26A H -0.1483 -0.3119 0.9340 0.085 Uiso 0.520(15) 1 calc PR A 1 C27A C -0.1472(12) -0.1764(12) 0.8872(3) 0.041(3) Uani 0.520(15) 1 d PGDU A 1 H27A H -0.2185 -0.2215 0.8715 0.049 Uiso 0.520(15) 1 calc PR A 1 C28A C -0.0845(11) -0.0568(11) 0.8730(2) 0.037(2) Uani 0.520(15) 1 d PGDU A 1 H28A H -0.1130 -0.0201 0.8476 0.044 Uiso 0.520(15) 1 calc PR A 1 C21B C 0.1427(11) 0.2349(8) 0.8712(3) 0.0382(18) Uani 0.480(15) 1 d PGDU A 2 C22B C 0.0815(9) 0.1422(8) 0.8812(2) 0.043(2) Uani 0.480(15) 1 d PGDU A 2 C23B C 0.0012(7) 0.0206(10) 0.89439(18) 0.052(2) Uani 0.480(15) 1 d PGDU A 2 C24B C 0.0264(8) -0.0271(11) 0.93322(17) 0.074(4) Uani 0.480(15) 1 d PGDU A 2 H24B H 0.1000 0.0124 0.9493 0.089 Uiso 0.480(15) 1 calc PR A 2 C25B C -0.0562(12) -0.1325(10) 0.94854(18) 0.079(5) Uani 0.520(15) 1 d PGDU A 2 H25B H -0.0390 -0.1650 0.9751 0.094 Uiso 0.520(15) 1 calc PR A 2 C26B C -0.1639(15) -0.1902(12) 0.92502(19) 0.071(5) Uani 0.480(15) 1 d PGDU A 2 H26B H -0.2203 -0.2622 0.9355 0.085 Uiso 0.480(15) 1 calc PR A 2 C27B C -0.1891(13) -0.1425(14) 0.88619(18) 0.041(3) Uani 0.480(15) 1 d PGDU A 2 H27B H -0.2627 -0.1820 0.8701 0.049 Uiso 0.480(15) 1 calc PR A 2 C28B C -0.1065(8) -0.0371(11) 0.87087(17) 0.037(2) Uani 0.480(15) 1 d PGDU A 2 H28B H -0.1237 -0.0046 0.8443 0.044 Uiso 0.480(15) 1 calc PR A 2 C31 C 0.748(3) 0.154(3) -0.0531(3) 0.192(11) Uiso 1 1 d G . . H31A H 0.7759 0.1423 -0.0810 0.288 Uiso 1 1 calc R . . H31B H 0.8265 0.1285 -0.0351 0.288 Uiso 1 1 calc R . . H31C H 0.7216 0.2504 -0.0485 0.288 Uiso 1 1 calc R . . C32 C 0.614(3) 0.055(3) -0.0446(8) 0.178(10) Uiso 1 1 d . . . H32A H 0.5333 0.0876 -0.0614 0.214 Uiso 1 1 calc R . . H32B H 0.6374 -0.0395 -0.0535 0.214 Uiso 1 1 calc R . . C33 C 0.567(2) 0.048(3) -0.0010(8) 0.167(9) Uiso 1 1 d . . . H33A H 0.5443 0.1417 0.0088 0.201 Uiso 1 1 calc R . . H33B H 0.6442 0.0098 0.0162 0.201 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 0.02193(14) 0.01984(14) 0.03272(16) 0.00228(11) 0.00005(10) -0.00503(10) Cl1 0.0247(8) 0.0237(8) 0.0347(9) -0.0023(7) -0.0011(6) 0.0032(6) P1 0.0258(9) 0.0206(9) 0.0454(11) 0.0066(8) -0.0066(8) -0.0038(7) P2 0.0245(9) 0.0212(9) 0.0404(10) -0.0030(8) 0.0065(8) -0.0025(7) C1 0.055(6) 0.044(5) 0.057(6) 0.016(5) -0.019(4) 0.002(5) C2 0.025(4) 0.035(4) 0.067(6) 0.006(4) -0.001(4) 0.000(3) C3 0.033(4) 0.025(4) 0.071(6) 0.003(4) -0.007(4) 0.000(3) C4 0.054(5) 0.030(4) 0.062(6) -0.015(4) 0.005(4) 0.001(4) C5 0.034(4) 0.043(5) 0.080(7) 0.008(5) 0.023(4) 0.000(4) C6 0.028(4) 0.033(4) 0.048(5) -0.002(4) 0.001(3) 0.007(3) B1 0.036(5) 0.036(5) 0.032(4) 0.001(4) 0.002(3) -0.014(4) N1A 0.031(4) 0.032(4) 0.034(3) 0.005(3) 0.001(3) -0.005(3) Si1A 0.0309(10) 0.0308(10) 0.0333(8) -0.0003(6) 0.0009(7) -0.0029(7) Si2A 0.063(3) 0.061(3) 0.0414(15) -0.002(2) 0.005(2) -0.025(2) C11A 0.052(6) 0.053(5) 0.054(5) 0.000(4) -0.004(4) -0.008(4) C12A 0.049(6) 0.046(5) 0.050(5) -0.003(4) -0.003(4) -0.005(4) C13A 0.039(5) 0.040(6) 0.049(5) -0.003(4) 0.005(4) -0.009(4) C14A 0.071(6) 0.070(6) 0.064(6) 0.008(4) 0.000(4) -0.009(4) C15A 0.076(7) 0.075(7) 0.067(6) -0.003(4) 0.005(5) -0.008(5) C16A 0.065(6) 0.065(6) 0.061(6) -0.003(4) 0.010(4) -0.005(4) N1B 0.031(4) 0.032(4) 0.034(3) 0.005(3) 0.001(3) -0.005(3) Si1B 0.0309(10) 0.0308(10) 0.0333(8) -0.0003(6) 0.0009(7) -0.0029(7) Si2B 0.063(3) 0.061(3) 0.0414(15) -0.002(2) 0.005(2) -0.025(2) C11B 0.052(6) 0.053(5) 0.054(5) 0.000(4) -0.004(4) -0.008(4) C12B 0.049(6) 0.046(5) 0.050(5) -0.003(4) -0.003(4) -0.005(4) C13B 0.039(5) 0.040(6) 0.049(5) -0.003(4) 0.005(4) -0.009(4) C14B 0.071(6) 0.070(6) 0.064(6) 0.008(4) 0.000(4) -0.009(4) C15B 0.076(7) 0.075(7) 0.067(6) -0.003(4) 0.005(5) -0.008(5) C16B 0.065(6) 0.065(6) 0.061(6) -0.003(4) 0.010(4) -0.005(4) C21A 0.038(2) 0.039(2) 0.038(2) 0.0014(19) 0.0011(18) -0.0050(19) C22A 0.043(3) 0.044(3) 0.043(3) 0.0015(19) 0.0015(19) -0.0055(19) C23A 0.052(3) 0.052(3) 0.052(3) 0.002(2) 0.001(2) -0.005(2) C24A 0.074(4) 0.074(4) 0.074(4) 0.002(2) 0.000(2) -0.004(2) C25A 0.078(5) 0.078(5) 0.079(5) 0.002(2) 0.001(2) -0.002(2) C26A 0.070(5) 0.070(5) 0.071(5) 0.002(2) 0.001(2) -0.003(2) C27A 0.041(3) 0.040(3) 0.042(3) 0.001(2) -0.001(2) -0.003(2) C28A 0.037(3) 0.037(3) 0.038(3) 0.0009(19) -0.0001(19) -0.0016(19) C21B 0.038(2) 0.039(2) 0.038(2) 0.0014(19) 0.0011(18) -0.0050(19) C22B 0.043(3) 0.044(3) 0.043(3) 0.0015(19) 0.0015(19) -0.0055(19) C23B 0.052(3) 0.052(3) 0.052(3) 0.002(2) 0.001(2) -0.005(2) C24B 0.074(4) 0.074(4) 0.074(4) 0.002(2) 0.000(2) -0.004(2) C25B 0.078(5) 0.078(5) 0.079(5) 0.002(2) 0.001(2) -0.002(2) C26B 0.070(5) 0.070(5) 0.071(5) 0.002(2) 0.001(2) -0.003(2) C27B 0.041(3) 0.040(3) 0.042(3) 0.001(2) -0.001(2) -0.003(2) C28B 0.037(3) 0.037(3) 0.038(3) 0.0009(19) -0.0001(19) -0.0016(19) _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 B1 2.011(9) . ? Pt1 P2 2.2874(19) . ? Pt1 P1 2.2993(19) . ? Pt1 Cl1 2.4978(18) . ? P1 C3 1.801(8) . ? P1 C2 1.812(9) . ? P1 C1 1.821(9) . ? P2 C4 1.811(9) . ? P2 C5 1.813(8) . ? P2 C6 1.816(8) . ? C1 H1A 0.9800 . ? C1 H1B 0.9800 . ? C1 H1C 0.9800 . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? C3 H3A 0.9800 . ? C3 H3B 0.9800 . ? C3 H3C 0.9800 . ? C4 H4A 0.9800 . ? C4 H4B 0.9800 . ? C4 H4C 0.9800 . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? B1 N1A 1.462(12) . ? B1 N1B 1.477(12) . ? B1 C21A 1.594(14) . ? B1 C21B 1.611(12) . ? N1A Si2A 1.778(9) . ? N1A Si1A 1.781(9) . ? Si1A C13A 1.82(3) . ? Si1A C11A 1.85(2) . ? Si1A C12A 1.91(2) . ? Si2A C14A 1.85(3) . ? Si2A C16A 1.88(3) . ? Si2A C15A 1.91(3) . ? C11A H11A 0.9800 . ? C11A H11B 0.9800 . ? C11A H11C 0.9800 . ? C12A H12A 0.9800 . ? C12A H12B 0.9800 . ? C12A H12C 0.9800 . ? C13A H13A 0.9800 . ? C13A H13B 0.9800 . ? C13A H13C 0.9800 . ? C14A H14A 0.9800 . ? C14A H14B 0.9800 . ? C14A H14C 0.9800 . ? C15A H15A 0.9800 . ? C15A H15B 0.9800 . ? C15A H15C 0.9800 . ? C16A H16A 0.9800 . ? C16A H16B 0.9800 . ? C16A H16C 0.9800 . ? N1B Si2B 1.786(9) . ? N1B Si1B 1.790(9) . ? Si1B C13B 1.85(3) . ? Si1B C12B 1.86(2) . ? Si1B C11B 1.89(2) . ? Si2B C15B 1.84(3) . ? Si2B C16B 1.88(2) . ? Si2B C14B 1.89(3) . ? C11B H11D 0.9800 . ? C11B H11E 0.9800 . ? C11B H11F 0.9800 . ? C12B H12D 0.9800 . ? C12B H12E 0.9800 . ? C12B H12F 0.9800 . ? C13B H13D 0.9800 . ? C13B H13E 0.9800 . ? C13B H13F 0.9800 . ? C14B H14D 0.9800 . ? C14B H14E 0.9800 . ? C14B H14F 0.9800 . ? C15B H15D 0.9800 . ? C15B H15E 0.9800 . ? C15B H15F 0.9800 . ? C16B H16D 0.9800 . ? C16B H16E 0.9800 . ? C16B H16F 0.9800 . ? C21A C22A 1.147(9) . ? C22A C23A 1.500(17) . ? C23A C24A 1.3900 . ? C23A C28A 1.3900 . ? C24A C25A 1.3900 . ? C24A H24A 0.9500 . ? C25A C26A 1.3900 . ? C25A H25A 0.9500 . ? C26A C27A 1.3900 . ? C26A H26A 0.9500 . ? C27A C28A 1.3900 . ? C27A H27A 0.9500 . ? C28A H28A 0.9500 . ? C21B C22B 1.1228 . ? C22B C23B 1.475(17) . ? C23B C24B 1.3900 . ? C23B C28B 1.3900 . ? C24B C25B 1.3900 . ? C24B H24B 0.9500 . ? C25B C26B 1.3900 . ? C25B H25B 0.9500 . ? C26B C27B 1.3900 . ? C26B H26B 0.9500 . ? C27B C28B 1.3900 . ? C27B H27B 0.9500 . ? C28B H28B 0.9500 . ? C31 C32 1.62(3) . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C32 C33 1.53(3) . ? C32 H32A 0.9900 . ? C32 H32B 0.9900 . ? C33 C33 1.58(4) 3_655 ? C33 H33A 0.9900 . ? C33 H33B 0.9900 . ? 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 B1 Pt1 P2 88.3(3) . . ? B1 Pt1 P1 90.3(3) . . ? P2 Pt1 P1 175.71(7) . . ? B1 Pt1 Cl1 175.3(3) . . ? P2 Pt1 Cl1 93.09(6) . . ? P1 Pt1 Cl1 87.99(7) . . ? C3 P1 C2 102.8(4) . . ? C3 P1 C1 102.4(4) . . ? C2 P1 C1 102.4(5) . . ? C3 P1 Pt1 111.5(3) . . ? C2 P1 Pt1 115.7(3) . . ? C1 P1 Pt1 119.9(4) . . ? C4 P2 C5 102.6(5) . . ? C4 P2 C6 101.8(4) . . ? C5 P2 C6 102.8(4) . . ? C4 P2 Pt1 117.5(3) . . ? C5 P2 Pt1 114.1(3) . . ? C6 P2 Pt1 115.9(3) . . ? P1 C1 H1A 109.5 . . ? P1 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? P1 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? P1 C2 H2A 109.5 . . ? P1 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? P1 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? P1 C3 H3A 109.5 . . ? P1 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? P1 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? P2 C4 H4A 109.5 . . ? P2 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? P2 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? P2 C5 H5A 109.5 . . ? P2 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? P2 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? P2 C6 H6A 109.5 . . ? P2 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? P2 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? N1A B1 C21A 115.0(8) . . ? N1B B1 C21A 116.4(8) . . ? N1A B1 C21B 115.5(8) . . ? N1B B1 C21B 116.8(8) . . ? N1A B1 Pt1 132.5(6) . . ? N1B B1 Pt1 132.5(7) . . ? C21A B1 Pt1 110.5(7) . . ? C21B B1 Pt1 110.0(6) . . ? B1 N1A Si2A 116.0(7) . . ? B1 N1A Si1A 123.8(7) . . ? Si2A N1A Si1A 120.2(6) . . ? N1A Si1A C13A 114.3(11) . . ? N1A Si1A C11A 107.8(9) . . ? C13A Si1A C11A 103.8(13) . . ? N1A Si1A C12A 111.3(9) . . ? C13A Si1A C12A 111.4(12) . . ? C11A Si1A C12A 107.8(10) . . ? N1A Si2A C14A 109.0(10) . . ? N1A Si2A C16A 112.9(10) . . ? C14A Si2A C16A 112.5(12) . . ? N1A Si2A C15A 111.4(10) . . ? C14A Si2A C15A 109.1(13) . . ? C16A Si2A C15A 101.8(12) . . ? B1 N1B Si2B 120.6(7) . . ? B1 N1B Si1B 121.5(7) . . ? Si2B N1B Si1B 115.8(6) . . ? N1B Si1B C13B 113.2(11) . . ? N1B Si1B C12B 114.4(9) . . ? C13B Si1B C12B 103.9(12) . . ? N1B Si1B C11B 108.6(8) . . ? C13B Si1B C11B 105.7(12) . . ? C12B Si1B C11B 110.7(10) . . ? N1B Si2B C15B 113.6(10) . . ? N1B Si2B C16B 109.4(9) . . ? C15B Si2B C16B 104.2(13) . . ? N1B Si2B C14B 111.5(10) . . ? C15B Si2B C14B 105.3(12) . . ? C16B Si2B C14B 112.7(11) . . ? Si1B C11B H11D 109.5 . . ? Si1B C11B H11E 109.5 . . ? H11D C11B H11E 109.5 . . ? Si1B C11B H11F 109.5 . . ? H11D C11B H11F 109.5 . . ? H11E C11B H11F 109.5 . . ? Si1B C12B H12D 109.5 . . ? Si1B C12B H12E 109.5 . . ? H12D C12B H12E 109.5 . . ? Si1B C12B H12F 109.5 . . ? H12D C12B H12F 109.5 . . ? H12E C12B H12F 109.5 . . ? Si1B C13B H13D 109.5 . . ? Si1B C13B H13E 109.5 . . ? H13D C13B H13E 109.5 . . ? Si1B C13B H13F 109.5 . . ? H13D C13B H13F 109.5 . . ? H13E C13B H13F 109.5 . . ? Si2B C14B H14D 109.5 . . ? Si2B C14B H14E 109.5 . . ? H14D C14B H14E 109.5 . . ? Si2B C14B H14F 109.5 . . ? H14D C14B H14F 109.5 . . ? H14E C14B H14F 109.5 . . ? Si2B C15B H15D 109.5 . . ? Si2B C15B H15E 109.5 . . ? H15D C15B H15E 109.5 . . ? Si2B C15B H15F 109.5 . . ? H15D C15B H15F 109.5 . . ? H15E C15B H15F 109.5 . . ? Si2B C16B H16D 109.5 . . ? Si2B C16B H16E 109.5 . . ? H16D C16B H16E 109.5 . . ? Si2B C16B H16F 109.5 . . ? H16D C16B H16F 109.5 . . ? H16E C16B H16F 109.5 . . ? C22A C21A B1 172.4(10) . . ? C21A C22A C23A 167.7(18) . . ? C24A C23A C28A 120.0 . . ? C24A C23A C22A 123.1(10) . . ? C28A C23A C22A 116.9(9) . . ? C23A C24A C25A 120.0 . . ? C23A C24A H24A 120.0 . . ? C25A C24A H24A 120.0 . . ? C26A C25A C24A 120.0 . . ? C26A C25A H25A 120.0 . . ? C24A C25A H25A 120.0 . . ? C27A C26A C25A 120.0 . . ? C27A C26A H26A 120.0 . . ? C25A C26A H26A 120.0 . . ? C28A C27A C26A 120.0 . . ? C28A C27A H27A 120.0 . . ? C26A C27A H27A 120.0 . . ? C27A C28A C23A 120.0 . . ? C27A C28A H28A 120.0 . . ? C23A C28A H28A 120.0 . . ? C22B C21B B1 177.5(5) . . ? C21B C22B C23B 179.9(3) . . ? C24B C23B C28B 120.0 . . ? C24B C23B C22B 117.6(3) . . ? C28B C23B C22B 122.0(3) . . ? C23B C24B C25B 120.0 . . ? C23B C24B H24B 120.0 . . ? C25B C24B H24B 120.0 . . ? C26B C25B C24B 120.0 . . ? C26B C25B H25B 120.0 . . ? C24B C25B H25B 120.0 . . ? C27B C26B C25B 120.0 . . ? C27B C26B H26B 120.0 . . ? C25B C26B H26B 120.0 . . ? C26B C27B C28B 120.0 . . ? C26B C27B H27B 120.0 . . ? C28B C27B H27B 120.0 . . ? C27B C28B C23B 120.0 . . ? C27B C28B H28B 120.0 . . ? C23B C28B H28B 120.0 . . ? C32 C31 H31A 109.5 . . ? C32 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? C32 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? C33 C32 C31 116.2(19) . . ? C33 C32 H32A 108.2 . . ? C31 C32 H32A 108.2 . . ? C33 C32 H32B 108.2 . . ? C31 C32 H32B 108.2 . . ? H32A C32 H32B 107.4 . . ? C32 C33 C33 109(3) . 3_655 ? C32 C33 H33A 109.9 . . ? C33 C33 H33A 109.9 3_655 . ? C32 C33 H33B 109.9 . . ? C33 C33 H33B 109.9 3_655 . ? H33A C33 H33B 108.3 . . ? 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 B1 Pt1 P1 C3 107.3(4) . . . . ? Cl1 Pt1 P1 C3 -68.3(4) . . . . ? B1 Pt1 P1 C2 -135.6(4) . . . . ? Cl1 Pt1 P1 C2 48.7(3) . . . . ? B1 Pt1 P1 C1 -12.1(5) . . . . ? Cl1 Pt1 P1 C1 172.2(4) . . . . ? B1 Pt1 P2 C4 60.8(4) . . . . ? Cl1 Pt1 P2 C4 -123.7(4) . . . . ? B1 Pt1 P2 C5 -59.5(5) . . . . ? Cl1 Pt1 P2 C5 116.0(4) . . . . ? B1 Pt1 P2 C6 -178.6(4) . . . . ? Cl1 Pt1 P2 C6 -3.1(3) . . . . ? P2 Pt1 B1 N1A -97.8(12) . . . . ? P1 Pt1 B1 N1A 86.3(12) . . . . ? P2 Pt1 B1 N1B -71.0(11) . . . . ? P1 Pt1 B1 N1B 113.1(11) . . . . ? P2 Pt1 B1 C21A 99.4(6) . . . . ? P1 Pt1 B1 C21A -76.6(6) . . . . ? P2 Pt1 B1 C21B 99.1(6) . . . . ? P1 Pt1 B1 C21B -76.8(6) . . . . ? N1B B1 N1A Si2A 79.3(15) . . . . ? C21A B1 N1A Si2A -19.4(14) . . . . ? C21B B1 N1A Si2A -19.2(14) . . . . ? Pt1 B1 N1A Si2A 178.4(7) . . . . ? N1B B1 N1A Si1A -99.5(19) . . . . ? C21A B1 N1A Si1A 161.8(9) . . . . ? C21B B1 N1A Si1A 162.0(9) . . . . ? Pt1 B1 N1A Si1A -0.4(19) . . . . ? B1 N1A Si1A C13A -11.5(18) . . . . ? Si2A N1A Si1A C13A 169.8(13) . . . . ? B1 N1A Si1A C11A -126.3(13) . . . . ? Si2A N1A Si1A C11A 55.0(13) . . . . ? B1 N1A Si1A C12A 115.7(13) . . . . ? Si2A N1A Si1A C12A -63.0(13) . . . . ? B1 N1A Si2A C14A 83.1(14) . . . . ? Si1A N1A Si2A C14A -98.1(13) . . . . ? B1 N1A Si2A C16A -42.7(15) . . . . ? Si1A N1A Si2A C16A 136.1(12) . . . . ? B1 N1A Si2A C15A -156.4(13) . . . . ? Si1A N1A Si2A C15A 22.4(15) . . . . ? N1A B1 N1B Si2B -97.1(19) . . . . ? C21A B1 N1B Si2B -6.2(15) . . . . ? C21B B1 N1B Si2B -5.8(15) . . . . ? Pt1 B1 N1B Si2B 163.8(7) . . . . ? N1A B1 N1B Si1B 65.8(14) . . . . ? C21A B1 N1B Si1B 156.7(8) . . . . ? C21B B1 N1B Si1B 157.0(8) . . . . ? Pt1 B1 N1B Si1B -33.4(16) . . . . ? B1 N1B Si1B C13B 7.8(16) . . . . ? Si2B N1B Si1B C13B 171.4(12) . . . . ? B1 N1B Si1B C12B 126.6(12) . . . . ? Si2B N1B Si1B C12B -69.8(12) . . . . ? B1 N1B Si1B C11B -109.2(12) . . . . ? Si2B N1B Si1B C11B 54.4(11) . . . . ? B1 N1B Si2B C15B -173.2(13) . . . . ? Si1B N1B Si2B C15B 23.0(14) . . . . ? B1 N1B Si2B C16B -57.3(15) . . . . ? Si1B N1B Si2B C16B 138.9(11) . . . . ? B1 N1B Si2B C14B 67.9(14) . . . . ? Si1B N1B Si2B C14B -95.8(11) . . . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 2.922 _refine_diff_density_min -3.457 _refine_diff_density_rms 0.166 ################################################################################ data_3 _database_code_depnum_ccdc_archive 'CCDC 803478' #TrackingRef '- all.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ; ? ; _chemical_melting_point ? _chemical_formula_moiety 'C20 H42 B Cl2 N P2 Pt Si2' _chemical_formula_sum 'C20 H42 B Cl2 N P2 Pt Si2' _chemical_formula_weight 691.47 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' Cl Cl 0.1484 0.1585 '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' 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' Si Si 0.0817 0.0704 '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)/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 16.3309(9) _cell_length_b 9.2064(5) _cell_length_c 39.750(2) _cell_angle_alpha 90.00 _cell_angle_beta 91.016(3) _cell_angle_gamma 90.00 _cell_volume 5975.4(6) _cell_formula_units_Z 8 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9729 _cell_measurement_theta_min 2.44 _cell_measurement_theta_max 26.90 _exptl_crystal_description plate _exptl_crystal_colour colourless _exptl_crystal_size_max 0.23 _exptl_crystal_size_mid 0.23 _exptl_crystal_size_min 0.02 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.537 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2752 _exptl_absorpt_coefficient_mu 5.071 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5719 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_process_details 'Sadabs 2008/1 (Brucker 2008)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator 'multi-layer mirror' _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 33669 _diffrn_reflns_av_R_equivalents 0.0556 _diffrn_reflns_av_sigmaI/netI 0.0680 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -34 _diffrn_reflns_limit_l_max 50 _diffrn_reflns_theta_min 1.60 _diffrn_reflns_theta_max 27.16 _reflns_number_total 12819 _reflns_number_gt 9893 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 ver. 2008.3 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.53A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.53A (Bruker AXS)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'XP ver. 5.1 (Bruker AXS, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0000P)^2^+50.7015P] 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 12819 _refine_ls_number_parameters 547 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0719 _refine_ls_R_factor_gt 0.0516 _refine_ls_wR_factor_ref 0.1130 _refine_ls_wR_factor_gt 0.1062 _refine_ls_goodness_of_fit_ref 1.153 _refine_ls_restrained_S_all 1.153 _refine_ls_shift/su_max 0.002 _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 Pt1 Pt 0.462563(19) 0.44729(3) 0.303507(7) 0.01568(8) Uani 1 1 d . . . Cl1 Cl 0.38564(13) 0.2802(2) 0.26870(5) 0.0270(5) Uani 1 1 d . . . P1_1 P 0.34072(13) 0.5163(2) 0.32718(5) 0.0171(4) Uani 1 1 d . . . C1_1 C 0.2616(5) 0.5596(9) 0.29674(18) 0.0206(17) Uani 1 1 d . . . H1A_1 H 0.2095 0.5725 0.3082 0.031 Uiso 1 1 calc R . . H1B_1 H 0.2564 0.4803 0.2804 0.031 Uiso 1 1 calc R . . H1C_1 H 0.2758 0.6496 0.2850 0.031 Uiso 1 1 calc R . . C2_1 C 0.2946(5) 0.3700(9) 0.3513(2) 0.0259(19) Uani 1 1 d . . . H2A_1 H 0.2390 0.3980 0.3576 0.039 Uiso 1 1 calc R . . H2B_1 H 0.3277 0.3519 0.3717 0.039 Uiso 1 1 calc R . . H2C_1 H 0.2923 0.2816 0.3376 0.039 Uiso 1 1 calc R . . C3_1 C 0.3377(5) 0.6719(9) 0.3552(2) 0.0263(19) Uani 1 1 d . . . H3A_1 H 0.3570 0.7584 0.3433 0.039 Uiso 1 1 calc R . . H3B_1 H 0.3731 0.6537 0.3749 0.039 Uiso 1 1 calc R . . H3C_1 H 0.2814 0.6877 0.3625 0.039 Uiso 1 1 calc R . . P1_2 P 0.57889(13) 0.3675(2) 0.27736(5) 0.0189(4) Uani 1 1 d . . . C1_2 C 0.5992(6) 0.1755(10) 0.2855(2) 0.032(2) Uani 1 1 d . . . H1A_2 H 0.5517 0.1176 0.2782 0.048 Uiso 1 1 calc R . . H1B_2 H 0.6094 0.1608 0.3096 0.048 Uiso 1 1 calc R . . H1C_2 H 0.6474 0.1449 0.2730 0.048 Uiso 1 1 calc R . . C2_2 C 0.6748(5) 0.4564(10) 0.2880(2) 0.028(2) Uani 1 1 d . . . H2A_2 H 0.7199 0.4049 0.2772 0.042 Uiso 1 1 calc R . . H2B_2 H 0.6833 0.4553 0.3124 0.042 Uiso 1 1 calc R . . H2C_2 H 0.6731 0.5571 0.2800 0.042 Uiso 1 1 calc R . . C3_2 C 0.5737(6) 0.3773(9) 0.23193(19) 0.0279(19) Uani 1 1 d . . . H3A_2 H 0.5713 0.4793 0.2249 0.042 Uiso 1 1 calc R . . H3B_2 H 0.5245 0.3266 0.2237 0.042 Uiso 1 1 calc R . . H3C_2 H 0.6224 0.3313 0.2226 0.042 Uiso 1 1 calc R . . C1_3 C 0.5269(4) 0.5835(8) 0.33264(18) 0.0159(15) Uani 1 1 d . . . H1_3 H 0.5509 0.6627 0.3211 0.019 Uiso 1 1 calc R . . C2_3 C 0.5419(5) 0.5812(8) 0.36631(18) 0.0162(15) Uani 1 1 d . . . C3_3 C 0.5064(5) 0.4634(8) 0.38787(18) 0.0186(16) Uani 1 1 d . . . C4_3 C 0.4698(5) 0.5009(9) 0.41838(18) 0.0194(16) Uani 1 1 d . . . H4_3 H 0.4700 0.5993 0.4255 0.023 Uiso 1 1 calc R . . C5_3 C 0.4330(5) 0.3955(9) 0.4383(2) 0.0265(19) Uani 1 1 d . . . H5_3 H 0.4067 0.4232 0.4584 0.032 Uiso 1 1 calc R . . C6_3 C 0.4347(6) 0.2507(9) 0.4289(2) 0.029(2) Uani 1 1 d . . . H6_3 H 0.4113 0.1788 0.4429 0.035 Uiso 1 1 calc R . . C7_3 C 0.4705(6) 0.2109(9) 0.3989(2) 0.028(2) Uani 1 1 d . . . H7_3 H 0.4703 0.1121 0.3920 0.034 Uiso 1 1 calc R . . C8_3 C 0.5071(5) 0.3174(9) 0.3789(2) 0.0249(18) Uani 1 1 d . . . H8_3 H 0.5329 0.2891 0.3587 0.030 Uiso 1 1 calc R . . B1 B 0.5905(5) 0.7053(10) 0.3842(2) 0.0164(18) Uani 1 1 d . . . Cl2 Cl 0.58225(14) 0.8809(2) 0.36395(5) 0.0283(5) Uani 1 1 d . . . N1 N 0.6380(4) 0.6975(6) 0.41457(14) 0.0143(13) Uani 1 1 d . . . Si1_4 Si 0.63331(14) 0.8455(2) 0.44321(5) 0.0169(4) Uani 1 1 d . . . C1_4 C 0.5233(5) 0.8886(10) 0.4507(2) 0.030(2) Uani 1 1 d . . . H1A_4 H 0.4939 0.8967 0.4291 0.044 Uiso 1 1 calc R . . H1B_4 H 0.5194 0.9808 0.4629 0.044 Uiso 1 1 calc R . . H1C_4 H 0.4988 0.8109 0.4641 0.044 Uiso 1 1 calc R . . C2_4 C 0.6756(7) 0.7949(10) 0.4856(2) 0.037(2) Uani 1 1 d . . . H2A_4 H 0.6545 0.6994 0.4920 0.055 Uiso 1 1 calc R . . H2B_4 H 0.6590 0.8675 0.5021 0.055 Uiso 1 1 calc R . . H2C_4 H 0.7355 0.7912 0.4848 0.055 Uiso 1 1 calc R . . C3_4 C 0.6913(6) 1.0073(9) 0.4292(2) 0.031(2) Uani 1 1 d . . . H3A_4 H 0.7451 0.9770 0.4213 0.046 Uiso 1 1 calc R . . H3B_4 H 0.6984 1.0748 0.4481 0.046 Uiso 1 1 calc R . . H3C_4 H 0.6610 1.0556 0.4109 0.046 Uiso 1 1 calc R . . Si1_5 Si 0.69982(14) 0.5434(2) 0.42392(5) 0.0188(5) Uani 1 1 d . . . C1_5 C 0.6563(6) 0.4206(9) 0.4568(2) 0.0273(19) Uani 1 1 d . . . H1A_5 H 0.6358 0.4791 0.4754 0.041 Uiso 1 1 calc R . . H1B_5 H 0.6991 0.3547 0.4652 0.041 Uiso 1 1 calc R . . H1C_5 H 0.6112 0.3638 0.4469 0.041 Uiso 1 1 calc R . . C2_5 C 0.8035(5) 0.6086(10) 0.4383(2) 0.0281(19) Uani 1 1 d . . . H2A_5 H 0.8083 0.7130 0.4339 0.042 Uiso 1 1 calc R . . H2B_5 H 0.8459 0.5563 0.4261 0.042 Uiso 1 1 calc R . . H2C_5 H 0.8104 0.5906 0.4625 0.042 Uiso 1 1 calc R . . C3_5 C 0.7198(5) 0.4328(9) 0.38554(19) 0.0234(18) Uani 1 1 d . . . H3A_5 H 0.6680 0.3934 0.3767 0.035 Uiso 1 1 calc R . . H3B_5 H 0.7569 0.3527 0.3914 0.035 Uiso 1 1 calc R . . H3C_5 H 0.7449 0.4942 0.3684 0.035 Uiso 1 1 calc R . . Pt2 Pt -0.037760(19) 0.98929(3) 0.301083(7) 0.01475(8) Uani 1 1 d . . . Cl3 Cl -0.11186(13) 1.1505(2) 0.26377(5) 0.0258(4) Uani 1 1 d . . . P1_6 P -0.16176(12) 0.9283(2) 0.32387(5) 0.0161(4) Uani 1 1 d . . . C1_6 C -0.2393(5) 0.8770(9) 0.29309(18) 0.0205(17) Uani 1 1 d . . . H1A_6 H -0.2915 0.8614 0.3044 0.031 Uiso 1 1 calc R . . H1B_6 H -0.2228 0.7872 0.2819 0.031 Uiso 1 1 calc R . . H1C_6 H -0.2457 0.9546 0.2764 0.031 Uiso 1 1 calc R . . C2_6 C -0.2080(5) 1.0790(9) 0.3452(2) 0.0234(18) Uani 1 1 d . . . H2A_6 H -0.2133 1.1614 0.3297 0.035 Uiso 1 1 calc R . . H2B_6 H -0.1735 1.1071 0.3646 0.035 Uiso 1 1 calc R . . H2C_6 H -0.2623 1.0507 0.3530 0.035 Uiso 1 1 calc R . . C3_6 C -0.1669(5) 0.7799(9) 0.35382(18) 0.0228(18) Uani 1 1 d . . . H3A_6 H -0.1294 0.7992 0.3728 0.034 Uiso 1 1 calc R . . H3B_6 H -0.1511 0.6891 0.3428 0.034 Uiso 1 1 calc R . . H3C_6 H -0.2230 0.7713 0.3620 0.034 Uiso 1 1 calc R . . P1_7 P 0.08099(13) 1.0654(2) 0.27597(5) 0.0195(4) Uani 1 1 d . . . C1_7 C 0.0786(6) 1.0517(9) 0.23055(18) 0.0249(19) Uani 1 1 d . . . H1A_7 H 0.0337 1.1114 0.2214 0.037 Uiso 1 1 calc R . . H1B_7 H 0.0700 0.9502 0.2240 0.037 Uiso 1 1 calc R . . H1C_7 H 0.1307 1.0861 0.2217 0.037 Uiso 1 1 calc R . . C2_7 C 0.1020(6) 1.2570(9) 0.2840(2) 0.034(2) Uani 1 1 d . . . H2A_7 H 0.0550 1.3155 0.2764 0.051 Uiso 1 1 calc R . . H2B_7 H 0.1508 1.2866 0.2717 0.051 Uiso 1 1 calc R . . H2C_7 H 0.1115 1.2721 0.3081 0.051 Uiso 1 1 calc R . . C3_7 C 0.1753(5) 0.9760(10) 0.2879(2) 0.029(2) Uani 1 1 d . . . H3A_7 H 0.2213 1.0251 0.2772 0.043 Uiso 1 1 calc R . . H3B_7 H 0.1733 0.8744 0.2806 0.043 Uiso 1 1 calc R . . H3C_7 H 0.1827 0.9800 0.3124 0.043 Uiso 1 1 calc R . . C1_8 C 0.0252(5) 0.8599(8) 0.33224(17) 0.0153(15) Uani 1 1 d . . . H1_8 H 0.0497 0.7779 0.3219 0.018 Uiso 1 1 calc R . . C2_8 C 0.0385(5) 0.8710(8) 0.36607(17) 0.0169(16) Uani 1 1 d . . . C3_8 C -0.0006(5) 0.9903(8) 0.38566(18) 0.0181(16) Uani 1 1 d . . . C4_8 C -0.0009(5) 1.1367(8) 0.37508(18) 0.0196(17) Uani 1 1 d . . . H4_8 H 0.0267 1.1616 0.3550 0.024 Uiso 1 1 calc R . . C5_8 C -0.0394(5) 1.2439(9) 0.39256(19) 0.0249(19) Uani 1 1 d . . . H5_8 H -0.0384 1.3411 0.3846 0.030 Uiso 1 1 calc R . . C6_8 C -0.0806(6) 1.2096(9) 0.4225(2) 0.028(2) Uani 1 1 d . . . H6_8 H -0.1088 1.2827 0.4346 0.033 Uiso 1 1 calc R . . C7_8 C -0.0792(5) 1.0691(9) 0.43393(19) 0.0228(18) Uani 1 1 d . . . H7_8 H -0.1057 1.0452 0.4543 0.027 Uiso 1 1 calc R . . C8_8 C -0.0395(5) 0.9613(9) 0.41610(18) 0.0190(16) Uani 1 1 d . . . H8_8 H -0.0387 0.8651 0.4248 0.023 Uiso 1 1 calc R . . B2 B 0.0897(5) 0.7562(9) 0.3856(2) 0.0152(17) Uani 1 1 d . . . Cl4 Cl 0.09276(14) 0.5760(2) 0.36715(5) 0.0275(4) Uani 1 1 d . . . N2 N 0.1321(4) 0.7767(6) 0.41724(14) 0.0149(13) Uani 1 1 d . . . Si1_9 Si 0.13109(14) 0.6360(2) 0.44767(5) 0.0174(4) Uani 1 1 d . . . C1_9 C 0.0300(6) 0.5412(10) 0.4480(2) 0.032(2) Uani 1 1 d . . . H1A_9 H -0.0136 0.6125 0.4516 0.048 Uiso 1 1 calc R . . H1B_9 H 0.0299 0.4695 0.4662 0.048 Uiso 1 1 calc R . . H1C_9 H 0.0207 0.4920 0.4264 0.048 Uiso 1 1 calc R . . C2_9 C 0.2151(6) 0.5004(10) 0.4421(2) 0.038(2) Uani 1 1 d . . . H2A_9 H 0.2018 0.4375 0.4229 0.057 Uiso 1 1 calc R . . H2B_9 H 0.2208 0.4411 0.4625 0.057 Uiso 1 1 calc R . . H2C_9 H 0.2666 0.5514 0.4380 0.057 Uiso 1 1 calc R . . C3_9 C 0.1399(6) 0.7159(10) 0.49088(19) 0.030(2) Uani 1 1 d . . . H3A_9 H 0.1927 0.7656 0.4935 0.045 Uiso 1 1 calc R . . H3B_9 H 0.1362 0.6383 0.5077 0.045 Uiso 1 1 calc R . . H3C_9 H 0.0954 0.7857 0.4941 0.045 Uiso 1 1 calc R . . Si1_10 Si 0.19210(14) 0.9333(2) 0.42459(5) 0.0196(5) Uani 1 1 d . . . C1_10 C 0.1460(6) 1.0661(9) 0.4538(2) 0.030(2) Uani 1 1 d . . . H1A_10 H 0.0996 1.1146 0.4425 0.045 Uiso 1 1 calc R . . H1B_10 H 0.1871 1.1386 0.4604 0.045 Uiso 1 1 calc R . . H1C_10 H 0.1268 1.0154 0.4738 0.045 Uiso 1 1 calc R . . C2_10 C 0.2155(6) 1.0283(9) 0.3845(2) 0.028(2) Uani 1 1 d . . . H2A_10 H 0.2426 0.9607 0.3692 0.042 Uiso 1 1 calc R . . H2B_10 H 0.2518 1.1109 0.3892 0.042 Uiso 1 1 calc R . . H2C_10 H 0.1645 1.0633 0.3739 0.042 Uiso 1 1 calc R . . C3_10 C 0.2938(5) 0.8759(10) 0.4417(2) 0.0267(19) Uani 1 1 d . . . H3A_10 H 0.2868 0.8275 0.4634 0.040 Uiso 1 1 calc R . . H3B_10 H 0.3289 0.9615 0.4448 0.040 Uiso 1 1 calc R . . H3C_10 H 0.3194 0.8086 0.4260 0.040 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 0.01510(16) 0.01614(16) 0.01574(14) -0.00197(11) -0.00086(11) -0.00015(12) Cl1 0.0262(11) 0.0237(11) 0.0310(10) -0.0118(8) -0.0080(9) 0.0012(9) P1_1 0.0151(10) 0.0173(10) 0.0189(9) 0.0013(7) 0.0010(8) -0.0003(8) C1_1 0.016(4) 0.025(4) 0.020(4) 0.002(3) -0.001(3) -0.006(3) C2_1 0.024(5) 0.029(5) 0.025(4) 0.006(3) 0.001(4) -0.001(4) C3_1 0.017(4) 0.033(5) 0.030(4) -0.007(4) -0.004(4) 0.001(4) P1_2 0.0191(11) 0.0208(11) 0.0169(9) -0.0017(8) 0.0023(8) 0.0023(9) C1_2 0.028(5) 0.032(5) 0.035(5) 0.005(4) 0.005(4) 0.003(4) C2_2 0.016(4) 0.041(6) 0.026(4) -0.007(4) 0.002(4) -0.003(4) C3_2 0.030(5) 0.027(5) 0.027(4) -0.006(3) 0.001(4) 0.009(4) C1_3 0.007(4) 0.018(4) 0.023(4) 0.000(3) 0.000(3) -0.002(3) C2_3 0.013(4) 0.016(4) 0.020(4) -0.003(3) 0.002(3) 0.000(3) C3_3 0.021(4) 0.016(4) 0.019(4) -0.003(3) -0.004(3) -0.003(3) C4_3 0.018(4) 0.017(4) 0.024(4) 0.002(3) 0.001(3) -0.007(3) C5_3 0.028(5) 0.024(5) 0.027(4) -0.003(3) 0.003(4) -0.007(4) C6_3 0.028(5) 0.026(5) 0.034(5) 0.009(4) 0.005(4) -0.009(4) C7_3 0.033(5) 0.016(4) 0.035(5) -0.001(3) -0.004(4) -0.008(4) C8_3 0.027(5) 0.021(4) 0.026(4) -0.003(3) 0.001(4) -0.003(4) B1 0.013(4) 0.021(5) 0.016(4) 0.000(3) 0.005(3) 0.003(3) Cl2 0.0340(12) 0.0214(11) 0.0294(10) 0.0003(8) -0.0034(9) -0.0012(9) N1 0.017(3) 0.009(3) 0.018(3) -0.001(2) -0.001(3) -0.002(2) Si1_4 0.0213(12) 0.0121(10) 0.0172(10) -0.0015(8) 0.0002(9) -0.0019(9) C1_4 0.023(5) 0.035(5) 0.031(5) -0.010(4) 0.008(4) -0.001(4) C2_4 0.053(7) 0.034(5) 0.024(4) -0.005(4) -0.007(4) 0.001(5) C3_4 0.033(5) 0.029(5) 0.030(4) -0.005(4) 0.004(4) -0.008(4) Si1_5 0.0200(12) 0.0139(11) 0.0224(10) 0.0018(8) -0.0024(9) 0.0002(9) C1_5 0.032(5) 0.020(4) 0.029(4) 0.004(3) -0.006(4) -0.002(4) C2_5 0.026(5) 0.027(5) 0.031(5) 0.000(4) -0.006(4) 0.004(4) C3_5 0.018(4) 0.023(4) 0.029(4) -0.003(3) -0.006(3) 0.005(3) Pt2 0.01557(16) 0.01440(15) 0.01428(14) 0.00185(10) -0.00012(11) -0.00085(12) Cl3 0.0250(11) 0.0247(11) 0.0277(10) 0.0107(8) -0.0056(8) -0.0013(9) P1_6 0.0134(10) 0.0189(10) 0.0159(9) 0.0008(7) 0.0005(8) 0.0007(8) C1_6 0.017(4) 0.028(5) 0.017(4) -0.003(3) 0.001(3) -0.001(3) C2_6 0.022(5) 0.022(4) 0.026(4) 0.001(3) 0.002(3) -0.001(4) C3_6 0.016(4) 0.034(5) 0.019(4) 0.003(3) 0.002(3) -0.003(4) P1_7 0.0199(11) 0.0209(11) 0.0177(9) 0.0017(8) 0.0021(8) -0.0048(9) C1_7 0.034(5) 0.023(4) 0.018(4) 0.004(3) 0.007(4) -0.001(4) C2_7 0.048(6) 0.016(4) 0.038(5) -0.005(4) 0.014(5) -0.013(4) C3_7 0.020(5) 0.038(5) 0.027(4) -0.004(4) -0.001(4) -0.001(4) C1_8 0.013(4) 0.015(4) 0.018(4) 0.000(3) 0.000(3) -0.003(3) C2_8 0.018(4) 0.018(4) 0.015(3) 0.002(3) 0.000(3) -0.001(3) C3_8 0.017(4) 0.019(4) 0.018(4) -0.006(3) 0.001(3) 0.000(3) C4_8 0.023(4) 0.019(4) 0.017(4) 0.002(3) -0.003(3) -0.001(3) C5_8 0.033(5) 0.020(4) 0.021(4) -0.004(3) -0.008(4) 0.002(4) C6_8 0.033(5) 0.022(4) 0.028(4) -0.009(3) 0.003(4) 0.010(4) C7_8 0.022(4) 0.027(5) 0.019(4) -0.004(3) 0.000(3) 0.008(4) C8_8 0.019(4) 0.019(4) 0.019(4) -0.001(3) -0.005(3) -0.002(3) B2 0.016(4) 0.007(4) 0.022(4) 0.003(3) 0.002(4) -0.003(3) Cl4 0.0322(12) 0.0251(11) 0.0251(10) 0.0003(8) -0.0001(9) 0.0024(9) N2 0.018(3) 0.008(3) 0.019(3) 0.000(2) -0.001(3) 0.001(3) Si1_9 0.0206(12) 0.0128(10) 0.0187(10) 0.0018(8) 0.0003(9) 0.0006(9) C1_9 0.041(6) 0.030(5) 0.025(4) 0.002(4) -0.002(4) -0.014(4) C2_9 0.043(6) 0.037(5) 0.034(5) 0.018(4) 0.009(4) 0.014(5) C3_9 0.036(6) 0.034(5) 0.020(4) 0.001(3) -0.004(4) -0.007(4) Si1_10 0.0185(12) 0.0169(11) 0.0231(11) 0.0005(8) -0.0029(9) -0.0038(9) C1_10 0.034(5) 0.023(5) 0.033(5) -0.004(4) -0.007(4) -0.007(4) C2_10 0.029(5) 0.026(5) 0.029(4) 0.008(3) -0.006(4) -0.007(4) C3_10 0.024(5) 0.030(5) 0.026(4) 0.000(3) -0.003(4) -0.003(4) _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 C1_3 1.993(7) . ? Pt1 P1_2 2.302(2) . ? Pt1 P1_1 2.305(2) . ? Pt1 Cl1 2.4076(19) . ? P1_1 C1_1 1.799(8) . ? P1_1 C3_1 1.816(8) . ? P1_1 C2_1 1.824(8) . ? C1_1 H1A_1 0.9800 . ? C1_1 H1B_1 0.9800 . ? C1_1 H1C_1 0.9800 . ? C2_1 H2A_1 0.9800 . ? C2_1 H2B_1 0.9800 . ? C2_1 H2C_1 0.9800 . ? C3_1 H3A_1 0.9800 . ? C3_1 H3B_1 0.9800 . ? C3_1 H3C_1 0.9800 . ? P1_2 C3_2 1.809(8) . ? P1_2 C2_2 1.810(9) . ? P1_2 C1_2 1.826(9) . ? C1_2 H1A_2 0.9800 . ? C1_2 H1B_2 0.9800 . ? C1_2 H1C_2 0.9800 . ? C2_2 H2A_2 0.9800 . ? C2_2 H2B_2 0.9800 . ? C2_2 H2C_2 0.9800 . ? C3_2 H3A_2 0.9800 . ? C3_2 H3B_2 0.9800 . ? C3_2 H3C_2 0.9800 . ? C1_3 C2_3 1.357(10) . ? C1_3 H1_3 0.9500 . ? C2_3 C3_3 1.505(10) . ? C2_3 B1 1.557(11) . ? C3_3 C8_3 1.390(11) . ? C3_3 C4_3 1.405(11) . ? C4_3 C5_3 1.395(11) . ? C4_3 H4_3 0.9500 . ? C5_3 C6_3 1.385(12) . ? C5_3 H5_3 0.9500 . ? C6_3 C7_3 1.385(12) . ? C6_3 H6_3 0.9500 . ? C7_3 C8_3 1.404(11) . ? C7_3 H7_3 0.9500 . ? C8_3 H8_3 0.9500 . ? B1 N1 1.424(10) . ? B1 Cl2 1.810(9) . ? N1 Si1_5 1.777(6) . ? N1 Si1_4 1.778(6) . ? Si1_4 C3_4 1.856(9) . ? Si1_4 C2_4 1.868(9) . ? Si1_4 C1_4 1.870(9) . ? C1_4 H1A_4 0.9800 . ? C1_4 H1B_4 0.9800 . ? C1_4 H1C_4 0.9800 . ? C2_4 H2A_4 0.9800 . ? C2_4 H2B_4 0.9800 . ? C2_4 H2C_4 0.9800 . ? C3_4 H3A_4 0.9800 . ? C3_4 H3B_4 0.9800 . ? C3_4 H3C_4 0.9800 . ? Si1_5 C3_5 1.868(8) . ? Si1_5 C2_5 1.876(9) . ? Si1_5 C1_5 1.877(8) . ? C1_5 H1A_5 0.9800 . ? C1_5 H1B_5 0.9800 . ? C1_5 H1C_5 0.9800 . ? C2_5 H2A_5 0.9800 . ? C2_5 H2B_5 0.9800 . ? C2_5 H2C_5 0.9800 . ? C3_5 H3A_5 0.9800 . ? C3_5 H3B_5 0.9800 . ? C3_5 H3C_5 0.9800 . ? Pt2 C1_8 1.991(7) . ? Pt2 P1_6 2.302(2) . ? Pt2 P1_7 2.306(2) . ? Pt2 Cl3 2.4092(19) . ? P1_6 C2_6 1.800(8) . ? P1_6 C1_6 1.808(8) . ? P1_6 C3_6 1.815(8) . ? C1_6 H1A_6 0.9800 . ? C1_6 H1B_6 0.9800 . ? C1_6 H1C_6 0.9800 . ? C2_6 H2A_6 0.9800 . ? C2_6 H2B_6 0.9800 . ? C2_6 H2C_6 0.9800 . ? C3_6 H3A_6 0.9800 . ? C3_6 H3B_6 0.9800 . ? C3_6 H3C_6 0.9800 . ? P1_7 C3_7 1.803(9) . ? P1_7 C1_7 1.809(7) . ? P1_7 C2_7 1.825(8) . ? C1_7 H1A_7 0.9800 . ? C1_7 H1B_7 0.9800 . ? C1_7 H1C_7 0.9800 . ? C2_7 H2A_7 0.9800 . ? C2_7 H2B_7 0.9800 . ? C2_7 H2C_7 0.9800 . ? C3_7 H3A_7 0.9800 . ? C3_7 H3B_7 0.9800 . ? C3_7 H3C_7 0.9800 . ? C1_8 C2_8 1.362(10) . ? C1_8 H1_8 0.9500 . ? C2_8 C3_8 1.496(10) . ? C2_8 B2 1.550(11) . ? C3_8 C8_8 1.402(10) . ? C3_8 C4_8 1.411(11) . ? C4_8 C5_8 1.366(11) . ? C4_8 H4_8 0.9500 . ? C5_8 C6_8 1.415(12) . ? C5_8 H5_8 0.9500 . ? C6_8 C7_8 1.371(12) . ? C6_8 H6_8 0.9500 . ? C7_8 C8_8 1.386(11) . ? C7_8 H7_8 0.9500 . ? C8_8 H8_8 0.9500 . ? B2 N2 1.436(10) . ? B2 Cl4 1.815(9) . ? N2 Si1_10 1.765(6) . ? N2 Si1_9 1.773(6) . ? Si1_9 C1_9 1.867(9) . ? Si1_9 C2_9 1.871(9) . ? Si1_9 C3_9 1.872(8) . ? C1_9 H1A_9 0.9800 . ? C1_9 H1B_9 0.9800 . ? C1_9 H1C_9 0.9800 . ? C2_9 H2A_9 0.9800 . ? C2_9 H2B_9 0.9800 . ? C2_9 H2C_9 0.9800 . ? C3_9 H3A_9 0.9800 . ? C3_9 H3B_9 0.9800 . ? C3_9 H3C_9 0.9800 . ? Si1_10 C1_10 1.855(9) . ? Si1_10 C3_10 1.861(9) . ? Si1_10 C2_10 1.864(8) . ? C1_10 H1A_10 0.9800 . ? C1_10 H1B_10 0.9800 . ? C1_10 H1C_10 0.9800 . ? C2_10 H2A_10 0.9800 . ? C2_10 H2B_10 0.9800 . ? C2_10 H2C_10 0.9800 . ? C3_10 H3A_10 0.9800 . ? C3_10 H3B_10 0.9800 . ? C3_10 H3C_10 0.9800 . ? 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 C1_3 Pt1 P1_2 91.9(2) . . ? C1_3 Pt1 P1_1 92.3(2) . . ? P1_2 Pt1 P1_1 175.89(7) . . ? C1_3 Pt1 Cl1 179.3(2) . . ? P1_2 Pt1 Cl1 87.88(7) . . ? P1_1 Pt1 Cl1 88.01(7) . . ? C1_1 P1_1 C3_1 102.2(4) . . ? C1_1 P1_1 C2_1 102.6(4) . . ? C3_1 P1_1 C2_1 104.1(4) . . ? C1_1 P1_1 Pt1 113.7(3) . . ? C3_1 P1_1 Pt1 120.0(3) . . ? C2_1 P1_1 Pt1 112.2(3) . . ? P1_1 C1_1 H1A_1 109.5 . . ? P1_1 C1_1 H1B_1 109.5 . . ? H1A_1 C1_1 H1B_1 109.5 . . ? P1_1 C1_1 H1C_1 109.5 . . ? H1A_1 C1_1 H1C_1 109.5 . . ? H1B_1 C1_1 H1C_1 109.5 . . ? P1_1 C2_1 H2A_1 109.5 . . ? P1_1 C2_1 H2B_1 109.5 . . ? H2A_1 C2_1 H2B_1 109.5 . . ? P1_1 C2_1 H2C_1 109.5 . . ? H2A_1 C2_1 H2C_1 109.5 . . ? H2B_1 C2_1 H2C_1 109.5 . . ? P1_1 C3_1 H3A_1 109.5 . . ? P1_1 C3_1 H3B_1 109.5 . . ? H3A_1 C3_1 H3B_1 109.5 . . ? P1_1 C3_1 H3C_1 109.5 . . ? H3A_1 C3_1 H3C_1 109.5 . . ? H3B_1 C3_1 H3C_1 109.5 . . ? C3_2 P1_2 C2_2 103.6(4) . . ? C3_2 P1_2 C1_2 103.3(4) . . ? C2_2 P1_2 C1_2 104.0(4) . . ? C3_2 P1_2 Pt1 114.2(3) . . ? C2_2 P1_2 Pt1 117.9(3) . . ? C1_2 P1_2 Pt1 112.2(3) . . ? P1_2 C1_2 H1A_2 109.5 . . ? P1_2 C1_2 H1B_2 109.5 . . ? H1A_2 C1_2 H1B_2 109.5 . . ? P1_2 C1_2 H1C_2 109.5 . . ? H1A_2 C1_2 H1C_2 109.5 . . ? H1B_2 C1_2 H1C_2 109.5 . . ? P1_2 C2_2 H2A_2 109.5 . . ? P1_2 C2_2 H2B_2 109.5 . . ? H2A_2 C2_2 H2B_2 109.5 . . ? P1_2 C2_2 H2C_2 109.5 . . ? H2A_2 C2_2 H2C_2 109.5 . . ? H2B_2 C2_2 H2C_2 109.5 . . ? P1_2 C3_2 H3A_2 109.5 . . ? P1_2 C3_2 H3B_2 109.5 . . ? H3A_2 C3_2 H3B_2 109.5 . . ? P1_2 C3_2 H3C_2 109.5 . . ? H3A_2 C3_2 H3C_2 109.5 . . ? H3B_2 C3_2 H3C_2 109.5 . . ? C2_3 C1_3 Pt1 130.3(6) . . ? C2_3 C1_3 H1_3 114.8 . . ? Pt1 C1_3 H1_3 114.8 . . ? C1_3 C2_3 C3_3 120.6(7) . . ? C1_3 C2_3 B1 121.5(7) . . ? C3_3 C2_3 B1 117.8(6) . . ? C8_3 C3_3 C4_3 117.7(7) . . ? C8_3 C3_3 C2_3 123.1(7) . . ? C4_3 C3_3 C2_3 119.3(7) . . ? C5_3 C4_3 C3_3 120.9(7) . . ? C5_3 C4_3 H4_3 119.6 . . ? C3_3 C4_3 H4_3 119.6 . . ? C6_3 C5_3 C4_3 120.3(8) . . ? C6_3 C5_3 H5_3 119.8 . . ? C4_3 C5_3 H5_3 119.8 . . ? C5_3 C6_3 C7_3 119.9(8) . . ? C5_3 C6_3 H6_3 120.1 . . ? C7_3 C6_3 H6_3 120.1 . . ? C6_3 C7_3 C8_3 119.6(8) . . ? C6_3 C7_3 H7_3 120.2 . . ? C8_3 C7_3 H7_3 120.2 . . ? C3_3 C8_3 C7_3 121.6(8) . . ? C3_3 C8_3 H8_3 119.2 . . ? C7_3 C8_3 H8_3 119.2 . . ? N1 B1 C2_3 128.0(7) . . ? N1 B1 Cl2 117.2(6) . . ? C2_3 B1 Cl2 114.7(6) . . ? B1 N1 Si1_5 121.1(5) . . ? B1 N1 Si1_4 118.3(5) . . ? Si1_5 N1 Si1_4 120.6(3) . . ? N1 Si1_4 C3_4 113.3(3) . . ? N1 Si1_4 C2_4 111.5(4) . . ? C3_4 Si1_4 C2_4 106.7(4) . . ? N1 Si1_4 C1_4 108.5(4) . . ? C3_4 Si1_4 C1_4 112.0(4) . . ? C2_4 Si1_4 C1_4 104.5(4) . . ? Si1_4 C1_4 H1A_4 109.5 . . ? Si1_4 C1_4 H1B_4 109.5 . . ? H1A_4 C1_4 H1B_4 109.5 . . ? Si1_4 C1_4 H1C_4 109.5 . . ? H1A_4 C1_4 H1C_4 109.5 . . ? H1B_4 C1_4 H1C_4 109.5 . . ? Si1_4 C2_4 H2A_4 109.5 . . ? Si1_4 C2_4 H2B_4 109.5 . . ? H2A_4 C2_4 H2B_4 109.5 . . ? Si1_4 C2_4 H2C_4 109.5 . . ? H2A_4 C2_4 H2C_4 109.5 . . ? H2B_4 C2_4 H2C_4 109.5 . . ? Si1_4 C3_4 H3A_4 109.5 . . ? Si1_4 C3_4 H3B_4 109.5 . . ? H3A_4 C3_4 H3B_4 109.5 . . ? Si1_4 C3_4 H3C_4 109.5 . . ? H3A_4 C3_4 H3C_4 109.5 . . ? H3B_4 C3_4 H3C_4 109.5 . . ? N1 Si1_5 C3_5 111.8(3) . . ? N1 Si1_5 C2_5 108.4(4) . . ? C3_5 Si1_5 C2_5 104.7(4) . . ? N1 Si1_5 C1_5 113.9(4) . . ? C3_5 Si1_5 C1_5 108.3(4) . . ? C2_5 Si1_5 C1_5 109.3(4) . . ? Si1_5 C1_5 H1A_5 109.5 . . ? Si1_5 C1_5 H1B_5 109.5 . . ? H1A_5 C1_5 H1B_5 109.5 . . ? Si1_5 C1_5 H1C_5 109.5 . . ? H1A_5 C1_5 H1C_5 109.5 . . ? H1B_5 C1_5 H1C_5 109.5 . . ? Si1_5 C2_5 H2A_5 109.5 . . ? Si1_5 C2_5 H2B_5 109.5 . . ? H2A_5 C2_5 H2B_5 109.5 . . ? Si1_5 C2_5 H2C_5 109.5 . . ? H2A_5 C2_5 H2C_5 109.5 . . ? H2B_5 C2_5 H2C_5 109.5 . . ? Si1_5 C3_5 H3A_5 109.5 . . ? Si1_5 C3_5 H3B_5 109.5 . . ? H3A_5 C3_5 H3B_5 109.5 . . ? Si1_5 C3_5 H3C_5 109.5 . . ? H3A_5 C3_5 H3C_5 109.5 . . ? H3B_5 C3_5 H3C_5 109.5 . . ? C1_8 Pt2 P1_6 93.3(2) . . ? C1_8 Pt2 P1_7 91.3(2) . . ? P1_6 Pt2 P1_7 175.36(7) . . ? C1_8 Pt2 Cl3 178.6(2) . . ? P1_6 Pt2 Cl3 87.52(7) . . ? P1_7 Pt2 Cl3 87.91(7) . . ? C2_6 P1_6 C1_6 103.1(4) . . ? C2_6 P1_6 C3_6 104.2(4) . . ? C1_6 P1_6 C3_6 102.0(4) . . ? C2_6 P1_6 Pt2 112.1(3) . . ? C1_6 P1_6 Pt2 114.1(3) . . ? C3_6 P1_6 Pt2 119.5(3) . . ? P1_6 C1_6 H1A_6 109.5 . . ? P1_6 C1_6 H1B_6 109.5 . . ? H1A_6 C1_6 H1B_6 109.5 . . ? P1_6 C1_6 H1C_6 109.5 . . ? H1A_6 C1_6 H1C_6 109.5 . . ? H1B_6 C1_6 H1C_6 109.5 . . ? P1_6 C2_6 H2A_6 109.5 . . ? P1_6 C2_6 H2B_6 109.5 . . ? H2A_6 C2_6 H2B_6 109.5 . . ? P1_6 C2_6 H2C_6 109.5 . . ? H2A_6 C2_6 H2C_6 109.5 . . ? H2B_6 C2_6 H2C_6 109.5 . . ? P1_6 C3_6 H3A_6 109.5 . . ? P1_6 C3_6 H3B_6 109.5 . . ? H3A_6 C3_6 H3B_6 109.5 . . ? P1_6 C3_6 H3C_6 109.5 . . ? H3A_6 C3_6 H3C_6 109.5 . . ? H3B_6 C3_6 H3C_6 109.5 . . ? C3_7 P1_7 C1_7 103.5(4) . . ? C3_7 P1_7 C2_7 103.8(5) . . ? C1_7 P1_7 C2_7 104.0(4) . . ? C3_7 P1_7 Pt2 118.0(3) . . ? C1_7 P1_7 Pt2 114.0(3) . . ? C2_7 P1_7 Pt2 112.0(3) . . ? P1_7 C1_7 H1A_7 109.5 . . ? P1_7 C1_7 H1B_7 109.5 . . ? H1A_7 C1_7 H1B_7 109.5 . . ? P1_7 C1_7 H1C_7 109.5 . . ? H1A_7 C1_7 H1C_7 109.5 . . ? H1B_7 C1_7 H1C_7 109.5 . . ? P1_7 C2_7 H2A_7 109.5 . . ? P1_7 C2_7 H2B_7 109.5 . . ? H2A_7 C2_7 H2B_7 109.5 . . ? P1_7 C2_7 H2C_7 109.5 . . ? H2A_7 C2_7 H2C_7 109.5 . . ? H2B_7 C2_7 H2C_7 109.5 . . ? P1_7 C3_7 H3A_7 109.5 . . ? P1_7 C3_7 H3B_7 109.5 . . ? H3A_7 C3_7 H3B_7 109.5 . . ? P1_7 C3_7 H3C_7 109.5 . . ? H3A_7 C3_7 H3C_7 109.5 . . ? H3B_7 C3_7 H3C_7 109.5 . . ? C2_8 C1_8 Pt2 129.8(6) . . ? C2_8 C1_8 H1_8 115.1 . . ? Pt2 C1_8 H1_8 115.1 . . ? C1_8 C2_8 C3_8 120.5(7) . . ? C1_8 C2_8 B2 121.3(7) . . ? C3_8 C2_8 B2 118.1(6) . . ? C8_8 C3_8 C4_8 116.1(7) . . ? C8_8 C3_8 C2_8 120.9(7) . . ? C4_8 C3_8 C2_8 123.0(7) . . ? C5_8 C4_8 C3_8 122.5(7) . . ? C5_8 C4_8 H4_8 118.8 . . ? C3_8 C4_8 H4_8 118.8 . . ? C4_8 C5_8 C6_8 119.8(8) . . ? C4_8 C5_8 H5_8 120.1 . . ? C6_8 C5_8 H5_8 120.1 . . ? C7_8 C6_8 C5_8 118.9(7) . . ? C7_8 C6_8 H6_8 120.5 . . ? C5_8 C6_8 H6_8 120.5 . . ? C6_8 C7_8 C8_8 120.8(8) . . ? C6_8 C7_8 H7_8 119.6 . . ? C8_8 C7_8 H7_8 119.6 . . ? C7_8 C8_8 C3_8 121.8(7) . . ? C7_8 C8_8 H8_8 119.1 . . ? C3_8 C8_8 H8_8 119.1 . . ? N2 B2 C2_8 126.6(7) . . ? N2 B2 Cl4 117.3(6) . . ? C2_8 B2 Cl4 116.0(6) . . ? B2 N2 Si1_10 120.6(5) . . ? B2 N2 Si1_9 119.4(5) . . ? Si1_10 N2 Si1_9 119.7(3) . . ? N2 Si1_9 C1_9 111.4(4) . . ? N2 Si1_9 C2_9 113.1(4) . . ? C1_9 Si1_9 C2_9 109.8(5) . . ? N2 Si1_9 C3_9 109.7(4) . . ? C1_9 Si1_9 C3_9 103.3(4) . . ? C2_9 Si1_9 C3_9 109.0(4) . . ? Si1_9 C1_9 H1A_9 109.5 . . ? Si1_9 C1_9 H1B_9 109.5 . . ? H1A_9 C1_9 H1B_9 109.5 . . ? Si1_9 C1_9 H1C_9 109.5 . . ? H1A_9 C1_9 H1C_9 109.5 . . ? H1B_9 C1_9 H1C_9 109.5 . . ? Si1_9 C2_9 H2A_9 109.5 . . ? Si1_9 C2_9 H2B_9 109.5 . . ? H2A_9 C2_9 H2B_9 109.5 . . ? Si1_9 C2_9 H2C_9 109.5 . . ? H2A_9 C2_9 H2C_9 109.5 . . ? H2B_9 C2_9 H2C_9 109.5 . . ? Si1_9 C3_9 H3A_9 109.5 . . ? Si1_9 C3_9 H3B_9 109.5 . . ? H3A_9 C3_9 H3B_9 109.5 . . ? Si1_9 C3_9 H3C_9 109.5 . . ? H3A_9 C3_9 H3C_9 109.5 . . ? H3B_9 C3_9 H3C_9 109.5 . . ? N2 Si1_10 C1_10 114.3(4) . . ? N2 Si1_10 C3_10 108.6(4) . . ? C1_10 Si1_10 C3_10 109.1(4) . . ? N2 Si1_10 C2_10 111.3(3) . . ? C1_10 Si1_10 C2_10 108.5(4) . . ? C3_10 Si1_10 C2_10 104.5(4) . . ? Si1_10 C1_10 H1A_10 109.5 . . ? Si1_10 C1_10 H1B_10 109.5 . . ? H1A_10 C1_10 H1B_10 109.5 . . ? Si1_10 C1_10 H1C_10 109.5 . . ? H1A_10 C1_10 H1C_10 109.5 . . ? H1B_10 C1_10 H1C_10 109.5 . . ? Si1_10 C2_10 H2A_10 109.5 . . ? Si1_10 C2_10 H2B_10 109.5 . . ? H2A_10 C2_10 H2B_10 109.5 . . ? Si1_10 C2_10 H2C_10 109.5 . . ? H2A_10 C2_10 H2C_10 109.5 . . ? H2B_10 C2_10 H2C_10 109.5 . . ? Si1_10 C3_10 H3A_10 109.5 . . ? Si1_10 C3_10 H3B_10 109.5 . . ? H3A_10 C3_10 H3B_10 109.5 . . ? Si1_10 C3_10 H3C_10 109.5 . . ? H3A_10 C3_10 H3C_10 109.5 . . ? H3B_10 C3_10 H3C_10 109.5 . . ? 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 C1_3 Pt1 P1_1 C1_1 131.0(4) . . . . ? Cl1 Pt1 P1_1 C1_1 -49.7(3) . . . . ? C1_3 Pt1 P1_1 C3_1 9.7(4) . . . . ? Cl1 Pt1 P1_1 C3_1 -171.0(3) . . . . ? C1_3 Pt1 P1_1 C2_1 -113.1(4) . . . . ? Cl1 Pt1 P1_1 C2_1 66.3(3) . . . . ? C1_3 Pt1 P1_2 C3_2 -127.1(4) . . . . ? Cl1 Pt1 P1_2 C3_2 53.5(3) . . . . ? C1_3 Pt1 P1_2 C2_2 -5.1(4) . . . . ? Cl1 Pt1 P1_2 C2_2 175.5(3) . . . . ? C1_3 Pt1 P1_2 C1_2 115.7(4) . . . . ? Cl1 Pt1 P1_2 C1_2 -63.6(3) . . . . ? P1_2 Pt1 C1_3 C2_3 -111.8(7) . . . . ? P1_1 Pt1 C1_3 C2_3 68.3(7) . . . . ? Pt1 C1_3 C2_3 C3_3 -1.1(11) . . . . ? Pt1 C1_3 C2_3 B1 -176.5(6) . . . . ? C1_3 C2_3 C3_3 C8_3 44.6(12) . . . . ? B1 C2_3 C3_3 C8_3 -139.8(8) . . . . ? C1_3 C2_3 C3_3 C4_3 -134.5(8) . . . . ? B1 C2_3 C3_3 C4_3 41.0(11) . . . . ? C8_3 C3_3 C4_3 C5_3 -2.1(12) . . . . ? C2_3 C3_3 C4_3 C5_3 177.1(8) . . . . ? C3_3 C4_3 C5_3 C6_3 2.4(13) . . . . ? C4_3 C5_3 C6_3 C7_3 -2.3(14) . . . . ? C5_3 C6_3 C7_3 C8_3 2.0(14) . . . . ? C4_3 C3_3 C8_3 C7_3 1.8(12) . . . . ? C2_3 C3_3 C8_3 C7_3 -177.4(8) . . . . ? C6_3 C7_3 C8_3 C3_3 -1.8(13) . . . . ? C1_3 C2_3 B1 N1 -153.4(8) . . . . ? C3_3 C2_3 B1 N1 31.1(12) . . . . ? C1_3 C2_3 B1 Cl2 28.2(10) . . . . ? C3_3 C2_3 B1 Cl2 -147.3(6) . . . . ? C2_3 B1 N1 Si1_5 38.7(11) . . . . ? Cl2 B1 N1 Si1_5 -142.9(4) . . . . ? C2_3 B1 N1 Si1_4 -140.7(7) . . . . ? Cl2 B1 N1 Si1_4 37.7(8) . . . . ? B1 N1 Si1_4 C3_4 -75.1(7) . . . . ? Si1_5 N1 Si1_4 C3_4 105.5(5) . . . . ? B1 N1 Si1_4 C2_4 164.5(6) . . . . ? Si1_5 N1 Si1_4 C2_4 -14.9(6) . . . . ? B1 N1 Si1_4 C1_4 49.9(7) . . . . ? Si1_5 N1 Si1_4 C1_4 -129.5(4) . . . . ? B1 N1 Si1_5 C3_5 18.2(7) . . . . ? Si1_4 N1 Si1_5 C3_5 -162.4(4) . . . . ? B1 N1 Si1_5 C2_5 133.1(6) . . . . ? Si1_4 N1 Si1_5 C2_5 -47.5(5) . . . . ? B1 N1 Si1_5 C1_5 -105.0(6) . . . . ? Si1_4 N1 Si1_5 C1_5 74.4(5) . . . . ? C1_8 Pt2 P1_6 C2_6 113.1(4) . . . . ? Cl3 Pt2 P1_6 C2_6 -65.8(3) . . . . ? C1_8 Pt2 P1_6 C1_6 -130.2(4) . . . . ? Cl3 Pt2 P1_6 C1_6 50.8(3) . . . . ? C1_8 Pt2 P1_6 C3_6 -9.3(4) . . . . ? Cl3 Pt2 P1_6 C3_6 171.8(3) . . . . ? C1_8 Pt2 P1_7 C3_7 7.0(4) . . . . ? Cl3 Pt2 P1_7 C3_7 -174.1(3) . . . . ? C1_8 Pt2 P1_7 C1_7 128.8(4) . . . . ? Cl3 Pt2 P1_7 C1_7 -52.3(3) . . . . ? C1_8 Pt2 P1_7 C2_7 -113.4(4) . . . . ? Cl3 Pt2 P1_7 C2_7 65.5(4) . . . . ? P1_6 Pt2 C1_8 C2_8 -68.5(7) . . . . ? P1_7 Pt2 C1_8 C2_8 110.6(7) . . . . ? Pt2 C1_8 C2_8 C3_8 3.5(11) . . . . ? Pt2 C1_8 C2_8 B2 179.7(6) . . . . ? C1_8 C2_8 C3_8 C8_8 133.7(8) . . . . ? B2 C2_8 C3_8 C8_8 -42.7(11) . . . . ? C1_8 C2_8 C3_8 C4_8 -46.4(11) . . . . ? B2 C2_8 C3_8 C4_8 137.2(8) . . . . ? C8_8 C3_8 C4_8 C5_8 -2.5(12) . . . . ? C2_8 C3_8 C4_8 C5_8 177.6(8) . . . . ? C3_8 C4_8 C5_8 C6_8 0.3(13) . . . . ? C4_8 C5_8 C6_8 C7_8 1.7(13) . . . . ? C5_8 C6_8 C7_8 C8_8 -1.3(13) . . . . ? C6_8 C7_8 C8_8 C3_8 -1.0(13) . . . . ? C4_8 C3_8 C8_8 C7_8 2.9(12) . . . . ? C2_8 C3_8 C8_8 C7_8 -177.2(7) . . . . ? C1_8 C2_8 B2 N2 156.6(8) . . . . ? C3_8 C2_8 B2 N2 -27.0(12) . . . . ? C1_8 C2_8 B2 Cl4 -25.8(10) . . . . ? C3_8 C2_8 B2 Cl4 150.5(6) . . . . ? C2_8 B2 N2 Si1_10 -45.3(10) . . . . ? Cl4 B2 N2 Si1_10 137.2(5) . . . . ? C2_8 B2 N2 Si1_9 140.2(7) . . . . ? Cl4 B2 N2 Si1_9 -37.3(8) . . . . ? B2 N2 Si1_9 C1_9 -37.2(7) . . . . ? Si1_10 N2 Si1_9 C1_9 148.3(4) . . . . ? B2 N2 Si1_9 C2_9 87.1(7) . . . . ? Si1_10 N2 Si1_9 C2_9 -87.4(5) . . . . ? B2 N2 Si1_9 C3_9 -151.0(6) . . . . ? Si1_10 N2 Si1_9 C3_9 34.5(5) . . . . ? B2 N2 Si1_10 C1_10 107.0(6) . . . . ? Si1_9 N2 Si1_10 C1_10 -78.5(5) . . . . ? B2 N2 Si1_10 C3_10 -130.9(6) . . . . ? Si1_9 N2 Si1_10 C3_10 43.6(5) . . . . ? B2 N2 Si1_10 C2_10 -16.3(7) . . . . ? Si1_9 N2 Si1_10 C2_10 158.1(4) . . . . ? _diffrn_measured_fraction_theta_max 0.967 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.983 _refine_diff_density_max 2.657 _refine_diff_density_min -4.510 _refine_diff_density_rms 0.192 ################################################################################ data_4 _database_code_depnum_ccdc_archive 'CCDC 803479' #TrackingRef '- all.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ; ? ; _chemical_melting_point ? _chemical_formula_moiety 'C20 H41 B Br N P2 Pt Si2' _chemical_formula_sum 'C20 H41 B Br N P2 Pt Si2' _chemical_formula_weight 699.47 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' Si Si 0.0817 0.0704 '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' Br Br -0.2901 2.4595 '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 P2(1)/n _symmetry_space_group_name_Hall '-P 2yn ' 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 8.9084(5) _cell_length_b 21.5491(11) _cell_length_c 15.4872(8) _cell_angle_alpha 90.00 _cell_angle_beta 106.388(2) _cell_angle_gamma 90.00 _cell_volume 2852.3(3) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9969 _cell_measurement_theta_min 2.33 _cell_measurement_theta_max 28.31 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.17 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.629 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1376 _exptl_absorpt_coefficient_mu 6.524 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.4672 _exptl_absorpt_correction_T_max 0.7457 _exptl_absorpt_process_details 'Sadabs 2008/1 (Brucker 2008)' _exptl_special_details ; The crystal was immersed in a film of perfluoropolyether oil, mounted on a polyimide microloop (MicroMounts of MiTeGen) and transferred to stream of cold nitrogen (Oxford Cryostream 700). ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator 'multi-layer mirror' _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 41868 _diffrn_reflns_av_R_equivalents 0.0344 _diffrn_reflns_av_sigmaI/netI 0.0250 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -25 _diffrn_reflns_limit_k_max 28 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 1.66 _diffrn_reflns_theta_max 28.36 _reflns_number_total 7106 _reflns_number_gt 6371 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 ver. 2008.3 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.53A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.53A (Bruker AXS)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'XP ver. 5.1 (Bruker AXS, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0145P)^2^+5.3772P] 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 7106 _refine_ls_number_parameters 265 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0262 _refine_ls_R_factor_gt 0.0210 _refine_ls_wR_factor_ref 0.0481 _refine_ls_wR_factor_gt 0.0461 _refine_ls_goodness_of_fit_ref 1.044 _refine_ls_restrained_S_all 1.044 _refine_ls_shift/su_max 0.002 _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 Pt1 Pt 0.106984(12) 0.139823(4) 0.312414(6) 0.01451(3) Uani 1 1 d . . . Br1 Br 0.06960(3) 0.230991(13) 0.407722(19) 0.02358(6) Uani 1 1 d . . . P1_1 P 0.35200(9) 0.12442(3) 0.40802(5) 0.01987(14) Uani 1 1 d . . . C1_1 C 0.4779(4) 0.19177(14) 0.4189(2) 0.0304(7) Uani 1 1 d . . . H1A_1 H 0.4287 0.2273 0.4397 0.046 Uiso 1 1 calc R . . H1B_1 H 0.4941 0.2015 0.3604 0.046 Uiso 1 1 calc R . . H1C_1 H 0.5790 0.1830 0.4626 0.046 Uiso 1 1 calc R . . C2_1 C 0.4671(4) 0.06137(15) 0.3815(2) 0.0336(7) Uani 1 1 d . . . H2A_1 H 0.4777 0.0673 0.3208 0.050 Uiso 1 1 calc R . . H2B_1 H 0.4145 0.0218 0.3843 0.050 Uiso 1 1 calc R . . H2C_1 H 0.5710 0.0610 0.4251 0.050 Uiso 1 1 calc R . . C3_1 C 0.3544(4) 0.10819(17) 0.5230(2) 0.0381(8) Uani 1 1 d . . . H3A_1 H 0.4629 0.1059 0.5608 0.057 Uiso 1 1 calc R . . H3B_1 H 0.3020 0.0685 0.5254 0.057 Uiso 1 1 calc R . . H3C_1 H 0.2996 0.1414 0.5450 0.057 Uiso 1 1 calc R . . P1_2 P -0.12913(8) 0.15978(3) 0.20972(5) 0.02057(14) Uani 1 1 d . . . C1_2 C -0.2889(4) 0.17229(17) 0.2589(2) 0.0351(8) Uani 1 1 d . . . H1A_2 H -0.3848 0.1815 0.2112 0.053 Uiso 1 1 calc R . . H1B_2 H -0.2637 0.2073 0.3009 0.053 Uiso 1 1 calc R . . H1C_2 H -0.3045 0.1348 0.2913 0.053 Uiso 1 1 calc R . . C2_2 C -0.1222(4) 0.22983(14) 0.1466(2) 0.0298(7) Uani 1 1 d . . . H2A_2 H -0.2259 0.2379 0.1051 0.045 Uiso 1 1 calc R . . H2B_2 H -0.0460 0.2247 0.1122 0.045 Uiso 1 1 calc R . . H2C_2 H -0.0912 0.2648 0.1882 0.045 Uiso 1 1 calc R . . C3_2 C -0.2057(4) 0.10256(16) 0.1225(2) 0.0342(7) Uani 1 1 d . . . H3A_2 H -0.2252 0.0636 0.1502 0.051 Uiso 1 1 calc R . . H3B_2 H -0.1295 0.0954 0.0887 0.051 Uiso 1 1 calc R . . H3C_2 H -0.3039 0.1178 0.0816 0.051 Uiso 1 1 calc R . . C1_3 C 0.1325(3) 0.06449(12) 0.24593(18) 0.0178(5) Uani 1 1 d . . . C2_3 C 0.1858(3) 0.04443(12) 0.17618(17) 0.0160(5) Uani 1 1 d . . . C3_3 C 0.2502(3) 0.07378(12) 0.10926(18) 0.0169(5) Uani 1 1 d . . . C4_3 C 0.2783(3) 0.13778(12) 0.11289(19) 0.0201(5) Uani 1 1 d . . . H4_3 H 0.2564 0.1619 0.1593 0.024 Uiso 1 1 calc R . . C5_3 C 0.3381(3) 0.16637(13) 0.0490(2) 0.0239(6) Uani 1 1 d . . . H5_3 H 0.3566 0.2098 0.0520 0.029 Uiso 1 1 calc R . . C6_3 C 0.3707(4) 0.13170(14) -0.0188(2) 0.0268(6) Uani 1 1 d . . . H6_3 H 0.4116 0.1513 -0.0622 0.032 Uiso 1 1 calc R . . C7_3 C 0.3435(4) 0.06834(15) -0.0231(2) 0.0282(7) Uani 1 1 d . . . H7_3 H 0.3657 0.0445 -0.0696 0.034 Uiso 1 1 calc R . . C8_3 C 0.2840(3) 0.03956(13) 0.04042(19) 0.0232(6) Uani 1 1 d . . . H8_3 H 0.2660 -0.0039 0.0370 0.028 Uiso 1 1 calc R . . B1 B 0.1327(4) -0.00351(14) 0.2302(2) 0.0196(6) Uani 1 1 d . . . N1 N 0.1097(3) -0.06587(10) 0.25545(16) 0.0198(5) Uani 1 1 d . . . Si1_4 Si 0.20233(9) -0.12273(3) 0.20772(5) 0.01757(15) Uani 1 1 d . . . C1_4 C 0.4047(3) -0.09681(14) 0.2134(2) 0.0256(6) Uani 1 1 d . . . H1A_4 H 0.4576 -0.1292 0.1886 0.038 Uiso 1 1 calc R . . H1B_4 H 0.4630 -0.0890 0.2763 0.038 Uiso 1 1 calc R . . H1C_4 H 0.3998 -0.0586 0.1784 0.038 Uiso 1 1 calc R . . C2_4 C 0.0894(4) -0.13521(14) 0.0887(2) 0.0263(6) Uani 1 1 d . . . H2A_4 H -0.0110 -0.1548 0.0864 0.039 Uiso 1 1 calc R . . H2B_4 H 0.1488 -0.1622 0.0595 0.039 Uiso 1 1 calc R . . H2C_4 H 0.0705 -0.0952 0.0574 0.039 Uiso 1 1 calc R . . C3_4 C 0.2219(4) -0.19694(13) 0.2726(2) 0.0270(6) Uani 1 1 d . . . H3A_4 H 0.1177 -0.2131 0.2694 0.040 Uiso 1 1 calc R . . H3B_4 H 0.2795 -0.1892 0.3356 0.040 Uiso 1 1 calc R . . H3C_4 H 0.2788 -0.2273 0.2468 0.040 Uiso 1 1 calc R . . Si1_5 Si -0.00937(9) -0.07812(4) 0.32628(5) 0.02139(16) Uani 1 1 d . . . C1_5 C -0.1389(4) -0.14642(16) 0.2887(3) 0.0371(8) Uani 1 1 d . . . H1A_5 H -0.1605 -0.1513 0.2234 0.056 Uiso 1 1 calc R . . H1B_5 H -0.2374 -0.1401 0.3038 0.056 Uiso 1 1 calc R . . H1C_5 H -0.0869 -0.1838 0.3189 0.056 Uiso 1 1 calc R . . C2_5 C 0.1121(4) -0.0889(2) 0.4435(2) 0.0528(11) Uani 1 1 d . . . H2A_5 H 0.1829 -0.1241 0.4464 0.079 Uiso 1 1 calc R . . H2B_5 H 0.0443 -0.0971 0.4822 0.079 Uiso 1 1 calc R . . H2C_5 H 0.1734 -0.0513 0.4641 0.079 Uiso 1 1 calc R . . C3_5 C -0.1438(5) -0.01080(16) 0.3215(3) 0.0482(10) Uani 1 1 d . . . H3A_5 H -0.0820 0.0270 0.3402 0.072 Uiso 1 1 calc R . . H3B_5 H -0.2088 -0.0184 0.3620 0.072 Uiso 1 1 calc R . . H3C_5 H -0.2110 -0.0057 0.2598 0.072 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 0.01974(6) 0.01077(5) 0.01445(5) -0.00020(4) 0.00715(4) 0.00032(4) Br1 0.02978(15) 0.01794(13) 0.02377(14) -0.00623(10) 0.00877(11) 0.00331(11) P1_1 0.0250(4) 0.0145(3) 0.0189(3) 0.0012(3) 0.0042(3) 0.0030(3) C1_1 0.0252(15) 0.0229(15) 0.0399(18) 0.0004(13) 0.0040(13) -0.0001(12) C2_1 0.0287(16) 0.0272(16) 0.0387(18) -0.0065(14) -0.0007(14) 0.0095(13) C3_1 0.053(2) 0.0392(19) 0.0201(15) 0.0080(14) 0.0071(15) 0.0046(16) P1_2 0.0200(3) 0.0200(3) 0.0221(4) -0.0027(3) 0.0063(3) 0.0002(3) C1_2 0.0208(15) 0.047(2) 0.0400(19) -0.0057(16) 0.0131(14) 0.0006(14) C2_2 0.0300(16) 0.0271(16) 0.0288(16) 0.0065(13) 0.0026(13) 0.0075(13) C3_2 0.0335(17) 0.0320(17) 0.0311(17) -0.0089(14) -0.0005(14) -0.0017(14) C1_3 0.0188(13) 0.0167(13) 0.0188(13) 0.0007(10) 0.0068(10) -0.0018(10) C2_3 0.0184(13) 0.0123(12) 0.0178(13) -0.0008(10) 0.0058(10) 0.0002(10) C3_3 0.0158(12) 0.0175(13) 0.0180(13) -0.0011(10) 0.0057(10) -0.0013(10) C4_3 0.0216(13) 0.0184(13) 0.0199(13) -0.0013(10) 0.0053(11) -0.0020(11) C5_3 0.0250(14) 0.0176(14) 0.0280(15) 0.0039(11) 0.0054(12) -0.0061(11) C6_3 0.0257(15) 0.0347(17) 0.0220(14) 0.0068(12) 0.0099(12) -0.0069(13) C7_3 0.0361(17) 0.0308(16) 0.0226(15) -0.0020(12) 0.0160(13) -0.0038(13) C8_3 0.0306(15) 0.0183(13) 0.0231(14) -0.0015(11) 0.0111(12) -0.0030(11) B1 0.0215(15) 0.0171(15) 0.0223(15) -0.0017(12) 0.0096(12) 0.0005(12) N1 0.0240(12) 0.0122(10) 0.0271(12) -0.0005(9) 0.0138(10) 0.0007(9) Si1_4 0.0219(4) 0.0125(3) 0.0198(4) 0.0004(3) 0.0081(3) 0.0023(3) C1_4 0.0249(15) 0.0263(15) 0.0275(15) -0.0001(12) 0.0107(12) 0.0034(12) C2_4 0.0311(16) 0.0223(15) 0.0234(15) -0.0024(12) 0.0042(12) 0.0056(12) C3_4 0.0371(17) 0.0170(14) 0.0302(16) 0.0038(12) 0.0150(13) 0.0058(12) Si1_5 0.0252(4) 0.0180(4) 0.0249(4) 0.0001(3) 0.0135(3) -0.0016(3) C1_5 0.0336(18) 0.0367(19) 0.047(2) -0.0077(15) 0.0216(16) -0.0114(14) C2_5 0.037(2) 0.099(3) 0.0243(17) 0.003(2) 0.0123(15) -0.006(2) C3_5 0.061(3) 0.0273(18) 0.077(3) 0.0077(18) 0.054(2) 0.0076(17) _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 C1_3 1.970(3) . ? Pt1 P1_1 2.2898(7) . ? Pt1 P1_2 2.2916(7) . ? Pt1 Br1 2.5351(3) . ? P1_1 C3_1 1.808(3) . ? P1_1 C1_1 1.813(3) . ? P1_1 C2_1 1.817(3) . ? C1_1 H1A_1 0.9800 . ? C1_1 H1B_1 0.9800 . ? C1_1 H1C_1 0.9800 . ? C2_1 H2A_1 0.9800 . ? C2_1 H2B_1 0.9800 . ? C2_1 H2C_1 0.9800 . ? C3_1 H3A_1 0.9800 . ? C3_1 H3B_1 0.9800 . ? C3_1 H3C_1 0.9800 . ? P1_2 C2_2 1.809(3) . ? P1_2 C3_2 1.814(3) . ? P1_2 C1_2 1.814(3) . ? C1_2 H1A_2 0.9800 . ? C1_2 H1B_2 0.9800 . ? C1_2 H1C_2 0.9800 . ? C2_2 H2A_2 0.9800 . ? C2_2 H2B_2 0.9800 . ? C2_2 H2C_2 0.9800 . ? C3_2 H3A_2 0.9800 . ? C3_2 H3B_2 0.9800 . ? C3_2 H3C_2 0.9800 . ? C1_3 C2_3 1.367(4) . ? C1_3 B1 1.485(4) . ? C2_3 C3_3 1.462(4) . ? C2_3 B1 1.488(4) . ? C3_3 C8_3 1.397(4) . ? C3_3 C4_3 1.400(4) . ? C4_3 C5_3 1.393(4) . ? C4_3 H4_3 0.9500 . ? C5_3 C6_3 1.384(4) . ? C5_3 H5_3 0.9500 . ? C6_3 C7_3 1.385(4) . ? C6_3 H6_3 0.9500 . ? C7_3 C8_3 1.388(4) . ? C7_3 H7_3 0.9500 . ? C8_3 H8_3 0.9500 . ? B1 N1 1.431(4) . ? N1 Si1_5 1.748(2) . ? N1 Si1_4 1.753(2) . ? Si1_4 C2_4 1.853(3) . ? Si1_4 C1_4 1.865(3) . ? Si1_4 C3_4 1.870(3) . ? C1_4 H1A_4 0.9800 . ? C1_4 H1B_4 0.9800 . ? C1_4 H1C_4 0.9800 . ? C2_4 H2A_4 0.9800 . ? C2_4 H2B_4 0.9800 . ? C2_4 H2C_4 0.9800 . ? C3_4 H3A_4 0.9800 . ? C3_4 H3B_4 0.9800 . ? C3_4 H3C_4 0.9800 . ? Si1_5 C2_5 1.847(4) . ? Si1_5 C1_5 1.859(3) . ? Si1_5 C3_5 1.869(3) . ? C1_5 H1A_5 0.9800 . ? C1_5 H1B_5 0.9800 . ? C1_5 H1C_5 0.9800 . ? C2_5 H2A_5 0.9800 . ? C2_5 H2B_5 0.9800 . ? C2_5 H2C_5 0.9800 . ? C3_5 H3A_5 0.9800 . ? C3_5 H3B_5 0.9800 . ? C3_5 H3C_5 0.9800 . ? 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 C1_3 Pt1 P1_1 89.38(8) . . ? C1_3 Pt1 P1_2 90.60(8) . . ? P1_1 Pt1 P1_2 175.46(3) . . ? C1_3 Pt1 Br1 175.29(8) . . ? P1_1 Pt1 Br1 89.637(19) . . ? P1_2 Pt1 Br1 90.75(2) . . ? C3_1 P1_1 C1_1 103.19(17) . . ? C3_1 P1_1 C2_1 103.12(17) . . ? C1_1 P1_1 C2_1 104.24(16) . . ? C3_1 P1_1 Pt1 114.14(13) . . ? C1_1 P1_1 Pt1 113.34(10) . . ? C2_1 P1_1 Pt1 117.24(11) . . ? P1_1 C1_1 H1A_1 109.5 . . ? P1_1 C1_1 H1B_1 109.5 . . ? H1A_1 C1_1 H1B_1 109.5 . . ? P1_1 C1_1 H1C_1 109.5 . . ? H1A_1 C1_1 H1C_1 109.5 . . ? H1B_1 C1_1 H1C_1 109.5 . . ? P1_1 C2_1 H2A_1 109.5 . . ? P1_1 C2_1 H2B_1 109.5 . . ? H2A_1 C2_1 H2B_1 109.5 . . ? P1_1 C2_1 H2C_1 109.5 . . ? H2A_1 C2_1 H2C_1 109.5 . . ? H2B_1 C2_1 H2C_1 109.5 . . ? P1_1 C3_1 H3A_1 109.5 . . ? P1_1 C3_1 H3B_1 109.5 . . ? H3A_1 C3_1 H3B_1 109.5 . . ? P1_1 C3_1 H3C_1 109.5 . . ? H3A_1 C3_1 H3C_1 109.5 . . ? H3B_1 C3_1 H3C_1 109.5 . . ? C2_2 P1_2 C3_2 103.17(16) . . ? C2_2 P1_2 C1_2 104.68(16) . . ? C3_2 P1_2 C1_2 103.82(16) . . ? C2_2 P1_2 Pt1 111.55(11) . . ? C3_2 P1_2 Pt1 117.90(11) . . ? C1_2 P1_2 Pt1 114.30(12) . . ? P1_2 C1_2 H1A_2 109.5 . . ? P1_2 C1_2 H1B_2 109.5 . . ? H1A_2 C1_2 H1B_2 109.5 . . ? P1_2 C1_2 H1C_2 109.5 . . ? H1A_2 C1_2 H1C_2 109.5 . . ? H1B_2 C1_2 H1C_2 109.5 . . ? P1_2 C2_2 H2A_2 109.5 . . ? P1_2 C2_2 H2B_2 109.5 . . ? H2A_2 C2_2 H2B_2 109.5 . . ? P1_2 C2_2 H2C_2 109.5 . . ? H2A_2 C2_2 H2C_2 109.5 . . ? H2B_2 C2_2 H2C_2 109.5 . . ? P1_2 C3_2 H3A_2 109.5 . . ? P1_2 C3_2 H3B_2 109.5 . . ? H3A_2 C3_2 H3B_2 109.5 . . ? P1_2 C3_2 H3C_2 109.5 . . ? H3A_2 C3_2 H3C_2 109.5 . . ? H3B_2 C3_2 H3C_2 109.5 . . ? C2_3 C1_3 B1 62.72(19) . . ? C2_3 C1_3 Pt1 142.2(2) . . ? B1 C1_3 Pt1 154.8(2) . . ? C1_3 C2_3 C3_3 135.8(2) . . ? C1_3 C2_3 B1 62.53(19) . . ? C3_3 C2_3 B1 161.7(2) . . ? C8_3 C3_3 C4_3 118.4(2) . . ? C8_3 C3_3 C2_3 121.6(2) . . ? C4_3 C3_3 C2_3 119.9(2) . . ? C5_3 C4_3 C3_3 120.5(3) . . ? C5_3 C4_3 H4_3 119.8 . . ? C3_3 C4_3 H4_3 119.8 . . ? C6_3 C5_3 C4_3 120.3(3) . . ? C6_3 C5_3 H5_3 119.9 . . ? C4_3 C5_3 H5_3 119.9 . . ? C5_3 C6_3 C7_3 119.9(3) . . ? C5_3 C6_3 H6_3 120.1 . . ? C7_3 C6_3 H6_3 120.1 . . ? C6_3 C7_3 C8_3 120.2(3) . . ? C6_3 C7_3 H7_3 119.9 . . ? C8_3 C7_3 H7_3 119.9 . . ? C7_3 C8_3 C3_3 120.8(3) . . ? C7_3 C8_3 H8_3 119.6 . . ? C3_3 C8_3 H8_3 119.6 . . ? N1 B1 C1_3 151.0(3) . . ? N1 B1 C2_3 154.0(3) . . ? C1_3 B1 C2_3 54.76(18) . . ? B1 N1 Si1_5 118.21(19) . . ? B1 N1 Si1_4 114.86(19) . . ? Si1_5 N1 Si1_4 126.90(13) . . ? N1 Si1_4 C2_4 109.43(13) . . ? N1 Si1_4 C1_4 109.54(12) . . ? C2_4 Si1_4 C1_4 109.70(14) . . ? N1 Si1_4 C3_4 110.78(12) . . ? C2_4 Si1_4 C3_4 110.62(14) . . ? C1_4 Si1_4 C3_4 106.74(14) . . ? Si1_4 C1_4 H1A_4 109.5 . . ? Si1_4 C1_4 H1B_4 109.5 . . ? H1A_4 C1_4 H1B_4 109.5 . . ? Si1_4 C1_4 H1C_4 109.5 . . ? H1A_4 C1_4 H1C_4 109.5 . . ? H1B_4 C1_4 H1C_4 109.5 . . ? Si1_4 C2_4 H2A_4 109.5 . . ? Si1_4 C2_4 H2B_4 109.5 . . ? H2A_4 C2_4 H2B_4 109.5 . . ? Si1_4 C2_4 H2C_4 109.5 . . ? H2A_4 C2_4 H2C_4 109.5 . . ? H2B_4 C2_4 H2C_4 109.5 . . ? Si1_4 C3_4 H3A_4 109.5 . . ? Si1_4 C3_4 H3B_4 109.5 . . ? H3A_4 C3_4 H3B_4 109.5 . . ? Si1_4 C3_4 H3C_4 109.5 . . ? H3A_4 C3_4 H3C_4 109.5 . . ? H3B_4 C3_4 H3C_4 109.5 . . ? N1 Si1_5 C2_5 110.18(14) . . ? N1 Si1_5 C1_5 110.83(14) . . ? C2_5 Si1_5 C1_5 110.4(2) . . ? N1 Si1_5 C3_5 110.68(13) . . ? C2_5 Si1_5 C3_5 109.1(2) . . ? C1_5 Si1_5 C3_5 105.55(18) . . ? Si1_5 C1_5 H1A_5 109.5 . . ? Si1_5 C1_5 H1B_5 109.5 . . ? H1A_5 C1_5 H1B_5 109.5 . . ? Si1_5 C1_5 H1C_5 109.5 . . ? H1A_5 C1_5 H1C_5 109.5 . . ? H1B_5 C1_5 H1C_5 109.5 . . ? Si1_5 C2_5 H2A_5 109.5 . . ? Si1_5 C2_5 H2B_5 109.5 . . ? H2A_5 C2_5 H2B_5 109.5 . . ? Si1_5 C2_5 H2C_5 109.5 . . ? H2A_5 C2_5 H2C_5 109.5 . . ? H2B_5 C2_5 H2C_5 109.5 . . ? Si1_5 C3_5 H3A_5 109.5 . . ? Si1_5 C3_5 H3B_5 109.5 . . ? H3A_5 C3_5 H3B_5 109.5 . . ? Si1_5 C3_5 H3C_5 109.5 . . ? H3A_5 C3_5 H3C_5 109.5 . . ? H3B_5 C3_5 H3C_5 109.5 . . ? 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 C1_3 Pt1 P1_1 C3_1 -115.20(15) . . . . ? Br1 Pt1 P1_1 C3_1 60.19(13) . . . . ? C1_3 Pt1 P1_1 C1_1 127.05(14) . . . . ? Br1 Pt1 P1_1 C1_1 -57.56(12) . . . . ? C1_3 Pt1 P1_1 C2_1 5.50(16) . . . . ? Br1 Pt1 P1_1 C2_1 -179.11(14) . . . . ? C1_3 Pt1 P1_2 C2_2 -113.76(14) . . . . ? Br1 Pt1 P1_2 C2_2 70.75(12) . . . . ? C1_3 Pt1 P1_2 C3_2 5.33(16) . . . . ? Br1 Pt1 P1_2 C3_2 -170.15(14) . . . . ? C1_3 Pt1 P1_2 C1_2 127.73(15) . . . . ? Br1 Pt1 P1_2 C1_2 -47.76(13) . . . . ? P1_1 Pt1 C1_3 C2_3 -89.4(3) . . . . ? P1_2 Pt1 C1_3 C2_3 86.1(3) . . . . ? P1_1 Pt1 C1_3 B1 80.2(5) . . . . ? P1_2 Pt1 C1_3 B1 -104.3(5) . . . . ? B1 C1_3 C2_3 C3_3 -178.4(4) . . . . ? Pt1 C1_3 C2_3 C3_3 -3.3(6) . . . . ? Pt1 C1_3 C2_3 B1 175.0(4) . . . . ? C1_3 C2_3 C3_3 C8_3 -175.0(3) . . . . ? B1 C2_3 C3_3 C8_3 9.7(9) . . . . ? C1_3 C2_3 C3_3 C4_3 4.5(5) . . . . ? B1 C2_3 C3_3 C4_3 -170.8(7) . . . . ? C8_3 C3_3 C4_3 C5_3 0.1(4) . . . . ? C2_3 C3_3 C4_3 C5_3 -179.3(3) . . . . ? C3_3 C4_3 C5_3 C6_3 -0.1(4) . . . . ? C4_3 C5_3 C6_3 C7_3 0.1(5) . . . . ? C5_3 C6_3 C7_3 C8_3 -0.1(5) . . . . ? C6_3 C7_3 C8_3 C3_3 0.2(5) . . . . ? C4_3 C3_3 C8_3 C7_3 -0.2(4) . . . . ? C2_3 C3_3 C8_3 C7_3 179.3(3) . . . . ? C2_3 C1_3 B1 N1 174.7(6) . . . . ? Pt1 C1_3 B1 N1 1.9(10) . . . . ? Pt1 C1_3 B1 C2_3 -172.8(5) . . . . ? C1_3 C2_3 B1 N1 -174.1(7) . . . . ? C3_3 C2_3 B1 N1 2.2(13) . . . . ? C3_3 C2_3 B1 C1_3 176.3(8) . . . . ? C1_3 B1 N1 Si1_5 21.6(7) . . . . ? C2_3 B1 N1 Si1_5 -168.3(5) . . . . ? C1_3 B1 N1 Si1_4 -160.2(5) . . . . ? C2_3 B1 N1 Si1_4 9.9(7) . . . . ? B1 N1 Si1_4 C2_4 -76.8(2) . . . . ? Si1_5 N1 Si1_4 C2_4 101.25(19) . . . . ? B1 N1 Si1_4 C1_4 43.5(2) . . . . ? Si1_5 N1 Si1_4 C1_4 -138.46(17) . . . . ? B1 N1 Si1_4 C3_4 161.0(2) . . . . ? Si1_5 N1 Si1_4 C3_4 -21.0(2) . . . . ? B1 N1 Si1_5 C2_5 -99.4(3) . . . . ? Si1_4 N1 Si1_5 C2_5 82.7(2) . . . . ? B1 N1 Si1_5 C1_5 138.2(2) . . . . ? Si1_4 N1 Si1_5 C1_5 -39.8(2) . . . . ? B1 N1 Si1_5 C3_5 21.5(3) . . . . ? Si1_4 N1 Si1_5 C3_5 -156.5(2) . . . . ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 2.080 _refine_diff_density_min -1.062 _refine_diff_density_rms 0.104