# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2011 data_global _journal_name_full Chem.Commun. _journal_coden_cambridge 0182 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_email Duncan.Carmichael@polytechnique.edu _publ_contact_author_name 'Duncan Carmichael' loop_ _publ_author_name 'Duncan Carmichael' 'Louis Ricard' 'Yves Cabon' # Attachment '- rac_3.cif' data_yc249 _database_code_depnum_ccdc_archive 'CCDC 743602' #TrackingRef '- rac_3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety C24H44CoP2Si2,F6P,CH4O? _chemical_formula_sum 'C25 H48 Co F6 O P3 Si2' _chemical_formula_weight 686.65 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' F F 0.0171 0.0103 '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' Co Co 0.3494 0.9721 '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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'C2/c ' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 28.0790(10) _cell_length_b 7.7920(10) _cell_length_c 31.1590(10) _cell_angle_alpha 90.00 _cell_angle_beta 104.1080(10) _cell_angle_gamma 90.00 _cell_volume 6611.7(9) _cell_formula_units_Z 8 _cell_measurement_temperature 150.0(1) _cell_measurement_reflns_used 4833 _cell_measurement_theta_min 0.998 _cell_measurement_theta_max 27.485 _exptl_crystal_description needle _exptl_crystal_colour orange _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.380 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2880 _exptl_absorpt_coefficient_mu 0.789 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.8456 _exptl_absorpt_correction_T_max 0.9396 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 150.0(1) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type KappaCCD _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 15077 _diffrn_reflns_av_R_equivalents 0.0428 _diffrn_reflns_av_sigmaI/netI 0.0510 _diffrn_reflns_limit_h_min -35 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -39 _diffrn_reflns_limit_l_max 40 _diffrn_reflns_theta_min 2.76 _diffrn_reflns_theta_max 27.47 _reflns_number_total 6509 _reflns_number_gt 4801 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _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^)+(0.0791P)^2^+3.0186P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6509 _refine_ls_number_parameters 367 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0709 _refine_ls_R_factor_gt 0.0466 _refine_ls_wR_factor_ref 0.1360 _refine_ls_wR_factor_gt 0.1217 _refine_ls_goodness_of_fit_ref 1.020 _refine_ls_restrained_S_all 1.020 _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 Co1 Co 0.392472(15) 0.02766(5) 0.600036(12) 0.02660(13) Uani 1 1 d . . . P1 P 0.34016(3) -0.19093(10) 0.57258(2) 0.0325(2) Uani 1 1 d . . . P2 P 0.34251(3) 0.25495(10) 0.60272(2) 0.0357(2) Uani 1 1 d . . . P3 P 0.5000 0.5000 0.5000 0.0351(3) Uani 1 2 d S . . P4 P 0.5000 -0.43440(15) 0.7500 0.0424(3) Uani 1 2 d S . . Si1 Si 0.33067(3) 0.02613(10) 0.48430(3) 0.0290(2) Uani 1 1 d . . . Si2 Si 0.32460(3) 0.03901(11) 0.68391(3) 0.0343(2) Uani 1 1 d . . . F1 F 0.47510(8) 0.6419(2) 0.46480(6) 0.0546(5) Uani 1 1 d . . . F2 F 0.54244(8) 0.4745(2) 0.47444(7) 0.0514(5) Uani 1 1 d . . . F3 F 0.46817(7) 0.3539(2) 0.46996(6) 0.0473(5) Uani 1 1 d . . . F4 F 0.46966(8) -0.2889(3) 0.76798(7) 0.0583(6) Uani 1 1 d . . . F5 F 0.53991(8) -0.4334(3) 0.79645(6) 0.0586(6) Uani 1 1 d . . . F6 F 0.46944(9) -0.5778(3) 0.76780(7) 0.0666(6) Uani 1 1 d . . . C1 C 0.37000(11) -0.0771(4) 0.53665(8) 0.0277(6) Uani 1 1 d . . . C2 C 0.42184(11) -0.0842(4) 0.55202(9) 0.0281(6) Uani 1 1 d . . . C3 C 0.43817(11) -0.1774(4) 0.59279(9) 0.0309(7) Uani 1 1 d . . . C4 C 0.39808(12) -0.2358(4) 0.60818(9) 0.0325(7) Uani 1 1 d . . . H4 H 0.4020(11) -0.286(4) 0.6358(11) 0.039 Uiso 1 1 d . . . C5 C 0.45790(12) -0.0036(4) 0.52935(10) 0.0338(7) Uani 1 1 d . . . H5A H 0.4708 -0.0916 0.5128 0.051 Uiso 1 1 calc R . . H5B H 0.4850 0.0476 0.5516 0.051 Uiso 1 1 calc R . . H5C H 0.4413 0.0857 0.5089 0.051 Uiso 1 1 calc R . . C6 C 0.49077(12) -0.2133(4) 0.61510(10) 0.0410(8) Uani 1 1 d . . . H6A H 0.4940 -0.2310 0.6468 0.061 Uiso 1 1 calc R . . H6B H 0.5111 -0.1157 0.6108 0.061 Uiso 1 1 calc R . . H6C H 0.5016 -0.3167 0.6023 0.061 Uiso 1 1 calc R . . C7 C 0.26604(12) 0.0154(4) 0.49073(11) 0.0376(7) Uani 1 1 d . . . H7A H 0.2647 0.0647 0.5194 0.056 Uiso 1 1 calc R . . H7B H 0.2553 -0.1045 0.4894 0.056 Uiso 1 1 calc R . . H7C H 0.2444 0.0806 0.4669 0.056 Uiso 1 1 calc R . . C8 C 0.34610(12) 0.2555(4) 0.47752(10) 0.0364(7) Uani 1 1 d . . . H8A H 0.3254 0.2997 0.4497 0.055 Uiso 1 1 calc R . . H8B H 0.3807 0.2649 0.4769 0.055 Uiso 1 1 calc R . . H8C H 0.3403 0.3225 0.5024 0.055 Uiso 1 1 calc R . . C9 C 0.33580(12) -0.1060(4) 0.43425(9) 0.0359(7) Uani 1 1 d . . . C10 C 0.38271(14) -0.0659(5) 0.41943(11) 0.0507(9) Uani 1 1 d . . . H10A H 0.3828 -0.1313 0.3926 0.076 Uiso 1 1 calc R . . H10B H 0.4114 -0.0980 0.4430 0.076 Uiso 1 1 calc R . . H10C H 0.3840 0.0571 0.4133 0.076 Uiso 1 1 calc R . . C11 C 0.29126(15) -0.0656(5) 0.39577(11) 0.0526(10) Uani 1 1 d . . . H11A H 0.2937 -0.1312 0.3696 0.079 Uiso 1 1 calc R . . H11B H 0.2907 0.0574 0.3891 0.079 Uiso 1 1 calc R . . H11C H 0.2610 -0.0972 0.4042 0.079 Uiso 1 1 calc R . . C12 C 0.33515(14) -0.2983(4) 0.44528(11) 0.0490(9) Uani 1 1 d . . . H12A H 0.3053 -0.3251 0.4550 0.074 Uiso 1 1 calc R . . H12B H 0.3640 -0.3264 0.4690 0.074 Uiso 1 1 calc R . . H12C H 0.3357 -0.3660 0.4189 0.074 Uiso 1 1 calc R . . C13 C 0.40233(13) 0.2902(4) 0.59583(10) 0.0370(8) Uani 1 1 d . . . H13 H 0.4081(11) 0.343(4) 0.5717(11) 0.044 Uiso 1 1 d . . . C14 C 0.43987(12) 0.2248(4) 0.62980(9) 0.0341(7) Uani 1 1 d . . . C15 C 0.42038(11) 0.1341(4) 0.66196(9) 0.0297(6) Uani 1 1 d . . . C16 C 0.36788(11) 0.1355(3) 0.65224(9) 0.0291(6) Uani 1 1 d . . . C17 C 0.49393(12) 0.2521(5) 0.63324(11) 0.0485(9) Uani 1 1 d . . . H17A H 0.4990 0.2777 0.6039 0.073 Uiso 1 1 calc R . . H17B H 0.5121 0.1480 0.6449 0.073 Uiso 1 1 calc R . . H17C H 0.5058 0.3484 0.6532 0.073 Uiso 1 1 calc R . . C18 C 0.45305(13) 0.0493(4) 0.70176(10) 0.0396(8) Uani 1 1 d . . . H18A H 0.4643 0.1351 0.7250 0.059 Uiso 1 1 calc R . . H18B H 0.4815 -0.0017 0.6935 0.059 Uiso 1 1 calc R . . H18C H 0.4346 -0.0406 0.7127 0.059 Uiso 1 1 calc R . . C19 C 0.26204(13) 0.0531(5) 0.64618(13) 0.0524(9) Uani 1 1 d . . . H19A H 0.2618 -0.0053 0.6183 0.079 Uiso 1 1 calc R . . H19B H 0.2531 0.1739 0.6403 0.079 Uiso 1 1 calc R . . H19C H 0.2383 -0.0019 0.6602 0.079 Uiso 1 1 calc R . . C20 C 0.33722(14) -0.1913(4) 0.69821(12) 0.0471(9) Uani 1 1 d . . . H20A H 0.3721 -0.2059 0.7129 0.071 Uiso 1 1 calc R . . H20B H 0.3291 -0.2605 0.6711 0.071 Uiso 1 1 calc R . . H20C H 0.3171 -0.2288 0.7181 0.071 Uiso 1 1 calc R . . C21 C 0.32729(13) 0.1744(4) 0.73516(11) 0.0423(8) Uani 1 1 d . . . C22 C 0.28149(15) 0.1343(5) 0.75229(13) 0.0628(12) Uani 1 1 d . . . H22A H 0.2812 0.0120 0.7596 0.094 Uiso 1 1 calc R . . H22B H 0.2519 0.1624 0.7294 0.094 Uiso 1 1 calc R . . H22C H 0.2822 0.2028 0.7788 0.094 Uiso 1 1 calc R . . C23 C 0.37268(15) 0.1375(5) 0.77224(12) 0.0600(11) Uani 1 1 d . . . H23A H 0.3714 0.2056 0.7984 0.090 Uiso 1 1 calc R . . H23B H 0.4022 0.1680 0.7625 0.090 Uiso 1 1 calc R . . H23C H 0.3736 0.0152 0.7797 0.090 Uiso 1 1 calc R . . C24 C 0.32672(16) 0.3658(4) 0.72297(13) 0.0601(11) Uani 1 1 d . . . H24A H 0.3233 0.4352 0.7483 0.090 Uiso 1 1 calc R . . H24B H 0.2990 0.3886 0.6976 0.090 Uiso 1 1 calc R . . H24C H 0.3575 0.3955 0.7152 0.090 Uiso 1 1 calc R . . C25 C 0.3843(3) -0.3162(10) 0.8181(3) 0.135(3) Uani 1 1 d . . . H25A H 0.3505 -0.2773 0.8056 0.202 Uiso 1 1 calc R . . H25B H 0.3957 -0.3822 0.7958 0.202 Uiso 1 1 calc R . . H25C H 0.4056 -0.2165 0.8270 0.202 Uiso 1 1 calc R . . O1 O 0.3855(3) -0.4213(13) 0.8554(3) 0.242(4) Uani 1 1 d . . . H1 H 0.3643 -0.4991 0.8485 0.364 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 Co1 0.0339(3) 0.0220(2) 0.02307(19) -0.00038(14) 0.00522(16) -0.00056(16) P1 0.0417(5) 0.0255(4) 0.0299(4) -0.0001(3) 0.0081(3) -0.0066(3) P2 0.0479(6) 0.0269(4) 0.0295(4) 0.0017(3) 0.0039(4) 0.0066(4) P3 0.0445(8) 0.0264(6) 0.0383(6) 0.0009(5) 0.0173(6) -0.0003(5) P4 0.0642(10) 0.0277(6) 0.0293(6) 0.000 -0.0001(6) 0.000 Si1 0.0340(5) 0.0247(4) 0.0261(4) 0.0011(3) 0.0032(3) -0.0006(3) Si2 0.0400(6) 0.0279(4) 0.0371(4) -0.0015(3) 0.0139(4) -0.0018(4) F1 0.0719(15) 0.0379(11) 0.0525(12) 0.0112(9) 0.0124(11) 0.0045(10) F2 0.0532(14) 0.0523(12) 0.0577(12) -0.0098(9) 0.0310(11) -0.0037(10) F3 0.0545(13) 0.0377(11) 0.0517(11) -0.0089(9) 0.0165(10) -0.0083(9) F4 0.0794(16) 0.0453(12) 0.0505(12) -0.0032(9) 0.0163(11) 0.0087(11) F5 0.0741(17) 0.0552(13) 0.0356(10) -0.0032(9) -0.0079(10) -0.0002(11) F6 0.0901(18) 0.0488(13) 0.0528(12) 0.0126(10) 0.0018(12) -0.0200(12) C1 0.0353(18) 0.0220(14) 0.0246(13) -0.0032(11) 0.0049(12) 0.0005(12) C2 0.0342(18) 0.0242(14) 0.0252(13) -0.0012(11) 0.0061(12) 0.0016(13) C3 0.0393(19) 0.0226(15) 0.0291(14) -0.0019(11) 0.0050(13) 0.0060(13) C4 0.049(2) 0.0205(15) 0.0267(14) 0.0006(12) 0.0073(13) -0.0008(13) C5 0.0361(19) 0.0350(17) 0.0318(15) -0.0013(12) 0.0111(13) -0.0005(14) C6 0.044(2) 0.0404(19) 0.0343(16) 0.0007(14) 0.0020(14) 0.0129(15) C7 0.035(2) 0.0345(17) 0.0404(17) -0.0001(13) 0.0036(14) 0.0011(14) C8 0.045(2) 0.0254(16) 0.0370(16) 0.0042(13) 0.0058(14) 0.0013(14) C9 0.047(2) 0.0297(16) 0.0272(14) -0.0021(12) 0.0013(13) 0.0010(14) C10 0.062(3) 0.055(2) 0.0377(17) -0.0066(16) 0.0174(18) 0.0033(19) C11 0.062(3) 0.055(2) 0.0324(17) -0.0032(16) -0.0038(17) 0.0110(19) C12 0.075(3) 0.0302(17) 0.0412(18) -0.0105(14) 0.0134(18) -0.0024(17) C13 0.063(2) 0.0207(15) 0.0287(15) 0.0008(12) 0.0135(15) -0.0073(14) C14 0.043(2) 0.0294(16) 0.0315(15) -0.0100(12) 0.0120(14) -0.0105(14) C15 0.0374(19) 0.0248(15) 0.0255(13) -0.0056(11) 0.0047(12) -0.0025(13) C16 0.0373(18) 0.0229(15) 0.0250(13) -0.0023(11) 0.0038(12) 0.0023(12) C17 0.051(2) 0.055(2) 0.0410(18) -0.0137(16) 0.0149(17) -0.0229(18) C18 0.046(2) 0.0409(19) 0.0292(15) -0.0045(13) 0.0039(14) 0.0023(15) C19 0.041(2) 0.055(2) 0.063(2) -0.0049(19) 0.0133(18) -0.0030(18) C20 0.066(3) 0.0306(17) 0.053(2) 0.0021(15) 0.0298(19) -0.0045(16) C21 0.053(2) 0.0369(18) 0.0425(18) -0.0013(14) 0.0228(17) -0.0039(16) C22 0.079(3) 0.059(2) 0.066(2) -0.009(2) 0.047(2) -0.006(2) C23 0.077(3) 0.064(3) 0.0416(19) -0.0128(18) 0.020(2) -0.003(2) C24 0.091(3) 0.038(2) 0.061(2) -0.0138(18) 0.038(2) -0.003(2) C25 0.155(7) 0.112(5) 0.148(7) 0.026(5) 0.060(6) 0.039(5) O1 0.190(8) 0.219(8) 0.285(10) 0.056(7) -0.007(7) -0.055(5) _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 Co1 C2 2.069(3) . ? Co1 C4 2.069(3) . ? Co1 C15 2.070(3) . ? Co1 C13 2.073(3) . ? Co1 C1 2.087(3) . ? Co1 C16 2.092(3) . ? Co1 C14 2.095(3) . ? Co1 C3 2.095(3) . ? Co1 P2 2.2735(9) . ? Co1 P1 2.2755(9) . ? P1 C4 1.766(3) . ? P1 C1 1.789(3) . ? P2 C13 1.766(3) . ? P2 C16 1.794(3) . ? P3 F1 1.5939(19) 5_666 ? P3 F1 1.5939(19) . ? P3 F2 1.5991(17) 5_666 ? P3 F2 1.5991(17) . ? P3 F3 1.6010(18) 5_666 ? P3 F3 1.6010(18) . ? P4 F6 1.589(2) . ? P4 F6 1.589(2) 2_656 ? P4 F4 1.599(2) 2_656 ? P4 F4 1.599(2) . ? P4 F5 1.6000(19) . ? P4 F5 1.6000(19) 2_656 ? Si1 C8 1.863(3) . ? Si1 C7 1.876(3) . ? Si1 C9 1.903(3) . ? Si1 C1 1.910(3) . ? Si2 C20 1.862(3) . ? Si2 C19 1.864(4) . ? Si2 C16 1.897(3) . ? Si2 C21 1.900(3) . ? C1 C2 1.418(4) . ? C2 C3 1.438(4) . ? C2 C5 1.506(4) . ? C3 C4 1.403(4) . ? C3 C6 1.498(4) . ? C4 H4 0.93(3) . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 C10 1.530(5) . ? C9 C12 1.539(4) . ? C9 C11 1.539(4) . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 C14 1.395(4) . ? C13 H13 0.90(3) . ? C14 C15 1.439(4) . ? C14 C17 1.511(4) . ? C15 C16 1.431(4) . ? C15 C18 1.504(4) . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? 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 C23 1.525(5) . ? C21 C24 1.538(5) . ? C21 C22 1.540(4) . ? 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 . ? C25 O1 1.416(8) . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? O1 H1 0.8400 . ? 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 C2 Co1 C4 68.84(11) . . ? C2 Co1 C15 135.69(12) . . ? C4 Co1 C15 106.42(11) . . ? C2 Co1 C13 106.68(12) . . ? C4 Co1 C13 168.32(14) . . ? C15 Co1 C13 68.76(11) . . ? C2 Co1 C1 39.90(11) . . ? C4 Co1 C1 74.02(11) . . ? C15 Co1 C1 175.33(11) . . ? C13 Co1 C1 109.89(11) . . ? C2 Co1 C16 175.48(12) . . ? C4 Co1 C16 109.42(11) . . ? C15 Co1 C16 40.21(11) . . ? C13 Co1 C16 74.18(11) . . ? C1 Co1 C16 144.27(12) . . ? C2 Co1 C14 107.87(11) . . ? C4 Co1 C14 130.68(13) . . ? C15 Co1 C14 40.41(11) . . ? C13 Co1 C14 39.11(12) . . ? C1 Co1 C14 135.92(11) . . ? C16 Co1 C14 69.87(11) . . ? C2 Co1 C3 40.39(10) . . ? C4 Co1 C3 39.36(11) . . ? C15 Co1 C3 107.64(12) . . ? C13 Co1 C3 130.61(13) . . ? C1 Co1 C3 69.62(11) . . ? C16 Co1 C3 135.79(11) . . ? C14 Co1 C3 105.49(12) . . ? C2 Co1 P2 135.49(8) . . ? C4 Co1 P2 142.87(9) . . ? C15 Co1 P2 75.56(8) . . ? C13 Co1 P2 47.67(10) . . ? C1 Co1 P2 107.00(8) . . ? C16 Co1 P2 48.32(8) . . ? C14 Co1 P2 75.14(9) . . ? C3 Co1 P2 175.88(8) . . ? C2 Co1 P1 75.37(8) . . ? C4 Co1 P1 47.67(9) . . ? C15 Co1 P1 135.48(8) . . ? C13 Co1 P1 143.02(10) . . ? C1 Co1 P1 48.17(8) . . ? C16 Co1 P1 106.72(9) . . ? C14 Co1 P1 175.90(8) . . ? C3 Co1 P1 75.23(9) . . ? P2 Co1 P1 104.44(4) . . ? C4 P1 C1 89.48(14) . . ? C4 P1 Co1 60.04(10) . . ? C1 P1 Co1 60.40(9) . . ? C13 P2 C16 89.73(14) . . ? C13 P2 Co1 60.21(10) . . ? C16 P2 Co1 60.54(9) . . ? F1 P3 F1 180.00(12) 5_666 . ? F1 P3 F2 89.92(11) 5_666 5_666 ? F1 P3 F2 90.08(11) . 5_666 ? F1 P3 F2 90.08(11) 5_666 . ? F1 P3 F2 89.92(11) . . ? F2 P3 F2 180.00(11) 5_666 . ? F1 P3 F3 90.13(11) 5_666 5_666 ? F1 P3 F3 89.87(11) . 5_666 ? F2 P3 F3 89.88(10) 5_666 5_666 ? F2 P3 F3 90.12(10) . 5_666 ? F1 P3 F3 89.87(11) 5_666 . ? F1 P3 F3 90.13(11) . . ? F2 P3 F3 90.12(10) 5_666 . ? F2 P3 F3 89.88(10) . . ? F3 P3 F3 180.000(1) 5_666 . ? F6 P4 F6 90.6(2) . 2_656 ? F6 P4 F4 179.47(14) . 2_656 ? F6 P4 F4 89.84(12) 2_656 2_656 ? F6 P4 F4 89.84(12) . . ? F6 P4 F4 179.47(14) 2_656 . ? F4 P4 F4 89.70(17) 2_656 . ? F6 P4 F5 90.38(12) . . ? F6 P4 F5 90.03(12) 2_656 . ? F4 P4 F5 89.88(12) 2_656 . ? F4 P4 F5 89.71(11) . . ? F6 P4 F5 90.03(12) . 2_656 ? F6 P4 F5 90.38(12) 2_656 2_656 ? F4 P4 F5 89.71(11) 2_656 2_656 ? F4 P4 F5 89.88(11) . 2_656 ? F5 P4 F5 179.42(18) . 2_656 ? C8 Si1 C7 108.21(14) . . ? C8 Si1 C9 111.10(14) . . ? C7 Si1 C9 109.39(15) . . ? C8 Si1 C1 113.49(14) . . ? C7 Si1 C1 105.24(14) . . ? C9 Si1 C1 109.19(13) . . ? C20 Si2 C19 107.63(18) . . ? C20 Si2 C16 113.42(14) . . ? C19 Si2 C16 105.86(15) . . ? C20 Si2 C21 111.58(15) . . ? C19 Si2 C21 109.61(16) . . ? C16 Si2 C21 108.53(13) . . ? C2 C1 P1 111.6(2) . . ? C2 C1 Si1 129.6(2) . . ? P1 C1 Si1 118.80(17) . . ? C2 C1 Co1 69.34(15) . . ? P1 C1 Co1 71.42(9) . . ? Si1 C1 Co1 128.46(14) . . ? C1 C2 C3 113.5(2) . . ? C1 C2 C5 125.3(3) . . ? C3 C2 C5 121.3(3) . . ? C1 C2 Co1 70.76(15) . . ? C3 C2 Co1 70.81(15) . . ? C5 C2 Co1 126.6(2) . . ? C4 C3 C2 110.9(3) . . ? C4 C3 C6 124.3(3) . . ? C2 C3 C6 124.8(3) . . ? C4 C3 Co1 69.32(16) . . ? C2 C3 Co1 68.80(16) . . ? C6 C3 Co1 130.8(2) . . ? C3 C4 P1 114.5(2) . . ? C3 C4 Co1 71.32(16) . . ? P1 C4 Co1 72.29(11) . . ? C3 C4 H4 122.1(19) . . ? P1 C4 H4 123.3(19) . . ? Co1 C4 H4 121.5(19) . . ? C2 C5 H5A 109.5 . . ? C2 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C2 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? C3 C6 H6A 109.5 . . ? C3 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C3 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? Si1 C7 H7A 109.5 . . ? Si1 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? Si1 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? Si1 C8 H8A 109.5 . . ? Si1 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? Si1 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C10 C9 C12 108.9(3) . . ? C10 C9 C11 108.6(3) . . ? C12 C9 C11 108.8(3) . . ? C10 C9 Si1 112.3(2) . . ? C12 C9 Si1 109.7(2) . . ? C11 C9 Si1 108.6(2) . . ? C9 C10 H10A 109.5 . . ? C9 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C9 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C9 C11 H11A 109.5 . . ? C9 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C9 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C9 C12 H12A 109.5 . . ? C9 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C9 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C14 C13 P2 114.6(2) . . ? C14 C13 Co1 71.30(17) . . ? P2 C13 Co1 72.12(11) . . ? C14 C13 H13 123(2) . . ? P2 C13 H13 123(2) . . ? Co1 C13 H13 124(2) . . ? C13 C14 C15 111.3(3) . . ? C13 C14 C17 124.2(3) . . ? C15 C14 C17 124.5(3) . . ? C13 C14 Co1 69.59(18) . . ? C15 C14 Co1 68.87(16) . . ? C17 C14 Co1 130.8(2) . . ? C16 C15 C14 113.3(3) . . ? C16 C15 C18 124.6(3) . . ? C14 C15 C18 122.1(3) . . ? C16 C15 Co1 70.69(15) . . ? C14 C15 Co1 70.72(16) . . ? C18 C15 Co1 127.5(2) . . ? C15 C16 P2 111.0(2) . . ? C15 C16 Si2 130.1(2) . . ? P2 C16 Si2 118.84(17) . . ? C15 C16 Co1 69.10(15) . . ? P2 C16 Co1 71.15(9) . . ? Si2 C16 Co1 128.32(15) . . ? C14 C17 H17A 109.5 . . ? C14 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C14 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C15 C18 H18A 109.5 . . ? C15 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C15 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? Si2 C19 H19A 109.5 . . ? Si2 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? Si2 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? Si2 C20 H20A 109.5 . . ? Si2 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? Si2 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C23 C21 C24 109.1(3) . . ? C23 C21 C22 108.3(3) . . ? C24 C21 C22 108.9(3) . . ? C23 C21 Si2 112.7(2) . . ? C24 C21 Si2 109.6(2) . . ? C22 C21 Si2 108.2(2) . . ? 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 . . ? O1 C25 H25A 109.5 . . ? O1 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? O1 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? C25 O1 H1 109.5 . . ? _diffrn_measured_fraction_theta_max 0.860 _diffrn_reflns_theta_full 27.47 _diffrn_measured_fraction_theta_full 0.860 _refine_diff_density_max 0.922 _refine_diff_density_min -0.501 _refine_diff_density_rms 0.072 data_yc264red _database_code_depnum_ccdc_archive 'CCDC 743603' #TrackingRef '- meso_2.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety C24H44CoP2Si2? _chemical_formula_sum 'C24 H44 Co P2 Si2' _chemical_formula_weight 509.64 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' 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' Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'P21/n ' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 7.8900(10) _cell_length_b 13.8940(10) _cell_length_c 12.4810(10) _cell_angle_alpha 90.00 _cell_angle_beta 95.6740(10) _cell_angle_gamma 90.00 _cell_volume 1361.5(2) _cell_formula_units_Z 2 _cell_measurement_temperature 150.0(1) _cell_measurement_reflns_used 3549 _cell_measurement_theta_min 0.998 _cell_measurement_theta_max 30.034 _exptl_crystal_description plate _exptl_crystal_colour 'dark red' _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.243 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 546 _exptl_absorpt_coefficient_mu 0.845 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.8359 _exptl_absorpt_correction_T_max 0.8837 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 150.0(1) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type KappaCCD _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 11852 _diffrn_reflns_av_R_equivalents 0.0282 _diffrn_reflns_av_sigmaI/netI 0.0348 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 2.93 _diffrn_reflns_theta_max 30.03 _reflns_number_total 3964 _reflns_number_gt 3299 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _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^)+(0.0497P)^2^+0.3076P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0009(17) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 3964 _refine_ls_number_parameters 141 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0437 _refine_ls_R_factor_gt 0.0341 _refine_ls_wR_factor_ref 0.0940 _refine_ls_wR_factor_gt 0.0885 _refine_ls_goodness_of_fit_ref 1.051 _refine_ls_restrained_S_all 1.051 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Co1 Co 0.0000 0.0000 0.0000 0.02075(9) Uani 1 2 d S . . P1 P 0.15174(5) 0.07703(3) 0.14405(3) 0.02653(11) Uani 1 1 d . . . Si1 Si 0.09168(5) 0.26466(3) 0.00079(3) 0.02322(11) Uani 1 1 d . . . C1 C 0.2392(2) -0.02915(11) 0.09373(13) 0.0284(3) Uani 1 1 d . . . H1 H 0.2682 -0.0842 0.1368 0.034 Uiso 1 1 calc R . . C2 C 0.26102(19) -0.02361(11) -0.01535(13) 0.0258(3) Uani 1 1 d . . . C3 C 0.20878(19) 0.06900(10) -0.06071(12) 0.0236(3) Uani 1 1 d . . . C4 C 0.15460(18) 0.13477(10) 0.01596(11) 0.0224(3) Uani 1 1 d . . . C5 C 0.3371(2) -0.10213(12) -0.07863(15) 0.0350(4) Uani 1 1 d . . . H5A H 0.4563 -0.0867 -0.0869 0.052 Uiso 1 1 calc R . . H5B H 0.2732 -0.1074 -0.1498 0.052 Uiso 1 1 calc R . . H5C H 0.3313 -0.1634 -0.0403 0.052 Uiso 1 1 calc R . . C6 C 0.2239(2) 0.09045(11) -0.17743(13) 0.0319(3) Uani 1 1 d . . . H6A H 0.1618 0.1498 -0.1978 0.048 Uiso 1 1 calc R . . H6B H 0.1755 0.0371 -0.2218 0.048 Uiso 1 1 calc R . . H6C H 0.3442 0.0985 -0.1888 0.048 Uiso 1 1 calc R . . C7 C -0.0628(2) 0.28973(12) -0.11946(15) 0.0374(4) Uani 1 1 d . . . H7A H -0.1554 0.2425 -0.1228 0.056 Uiso 1 1 calc R . . H7B H -0.0041 0.2852 -0.1849 0.056 Uiso 1 1 calc R . . H7C H -0.1097 0.3546 -0.1137 0.056 Uiso 1 1 calc R . . C8 C -0.0102(3) 0.30135(12) 0.12380(15) 0.0372(4) Uani 1 1 d . . . H8A H -0.0298 0.3710 0.1224 0.056 Uiso 1 1 calc R . . H8B H 0.0650 0.2844 0.1883 0.056 Uiso 1 1 calc R . . H8C H -0.1193 0.2678 0.1251 0.056 Uiso 1 1 calc R . . C9 C 0.2882(2) 0.34337(10) -0.00610(12) 0.0262(3) Uani 1 1 d . . . C10 C 0.2319(3) 0.44836(12) -0.02487(17) 0.0421(4) Uani 1 1 d . . . H10A H 0.1670 0.4694 0.0339 0.063 Uiso 1 1 calc R . . H10B H 0.1603 0.4533 -0.0934 0.063 Uiso 1 1 calc R . . H10C H 0.3326 0.4894 -0.0271 0.063 Uiso 1 1 calc R . . C11 C 0.4031(2) 0.33670(13) 0.09999(14) 0.0357(4) Uani 1 1 d . . . H11A H 0.4337 0.2693 0.1147 0.054 Uiso 1 1 calc R . . H11B H 0.3424 0.3621 0.1587 0.054 Uiso 1 1 calc R . . H11C H 0.5068 0.3745 0.0944 0.054 Uiso 1 1 calc R . . C12 C 0.3924(2) 0.31313(13) -0.09789(14) 0.0361(4) Uani 1 1 d . . . H12A H 0.4894 0.3568 -0.1005 0.054 Uiso 1 1 calc R . . H12B H 0.3203 0.3160 -0.1664 0.054 Uiso 1 1 calc R . . H12C H 0.4340 0.2472 -0.0854 0.054 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 Co1 0.01856(15) 0.02006(15) 0.02386(15) 0.00002(9) 0.00321(10) -0.00161(9) P1 0.0292(2) 0.0280(2) 0.02229(19) 0.00085(13) 0.00227(15) -0.00513(15) Si1 0.0238(2) 0.01991(19) 0.0266(2) -0.00140(14) 0.00572(16) -0.00093(15) C1 0.0239(7) 0.0249(7) 0.0354(8) 0.0038(6) -0.0025(6) -0.0014(6) C2 0.0175(7) 0.0235(6) 0.0364(8) -0.0020(6) 0.0023(6) -0.0018(5) C3 0.0201(7) 0.0244(6) 0.0268(7) -0.0011(5) 0.0056(5) -0.0029(5) C4 0.0216(7) 0.0217(6) 0.0243(6) -0.0006(5) 0.0041(5) -0.0027(5) C5 0.0243(8) 0.0274(7) 0.0536(10) -0.0063(7) 0.0065(7) 0.0008(6) C6 0.0386(9) 0.0299(8) 0.0283(7) -0.0021(6) 0.0096(6) -0.0020(7) C7 0.0351(9) 0.0300(8) 0.0448(10) -0.0005(7) -0.0070(8) 0.0039(7) C8 0.0438(10) 0.0271(8) 0.0442(9) -0.0083(6) 0.0221(8) -0.0032(7) C9 0.0270(7) 0.0218(6) 0.0303(7) 0.0022(5) 0.0049(6) -0.0030(6) C10 0.0375(10) 0.0247(8) 0.0647(12) 0.0076(7) 0.0077(9) -0.0041(7) C11 0.0349(9) 0.0371(9) 0.0345(8) -0.0015(7) 0.0003(7) -0.0089(7) C12 0.0346(9) 0.0400(9) 0.0354(8) 0.0024(7) 0.0116(7) -0.0067(7) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Co1 C3 2.1104(14) 3 ? Co1 C3 2.1104(14) . ? Co1 C2 2.1127(15) 3 ? Co1 C2 2.1127(15) . ? Co1 C1 2.1582(16) . ? Co1 C1 2.1582(16) 3 ? Co1 C4 2.2329(14) 3 ? Co1 C4 2.2329(14) . ? Co1 P1 2.3206(4) 3 ? Co1 P1 2.3206(4) . ? P1 C1 1.7699(17) . ? P1 C4 1.7908(15) . ? Si1 C7 1.8701(18) . ? Si1 C8 1.8728(16) . ? Si1 C4 1.8763(14) . ? Si1 C9 1.9066(16) . ? C1 C2 1.391(2) . ? C2 C3 1.449(2) . ? C2 C5 1.506(2) . ? C3 C4 1.4193(19) . ? C3 C6 1.503(2) . ? C9 C11 1.532(2) . ? C9 C12 1.533(2) . ? C9 C10 1.536(2) . ? 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 C3 Co1 C3 180.00(10) 3 . ? C3 Co1 C2 40.14(6) 3 3 ? C3 Co1 C2 139.86(6) . 3 ? C3 Co1 C2 139.86(6) 3 . ? C3 Co1 C2 40.14(6) . . ? C2 Co1 C2 180.0 3 . ? C3 Co1 C1 113.07(6) 3 . ? C3 Co1 C1 66.93(6) . . ? C2 Co1 C1 142.00(6) 3 . ? C2 Co1 C1 38.00(6) . . ? C3 Co1 C1 66.93(6) 3 3 ? C3 Co1 C1 113.07(6) . 3 ? C2 Co1 C1 38.00(6) 3 3 ? C2 Co1 C1 142.00(6) . 3 ? C1 Co1 C1 180.00(12) . 3 ? C3 Co1 C4 38.02(5) 3 3 ? C3 Co1 C4 141.98(5) . 3 ? C2 Co1 C4 67.02(5) 3 3 ? C2 Co1 C4 112.98(5) . 3 ? C1 Co1 C4 109.37(6) . 3 ? C1 Co1 C4 70.63(6) 3 3 ? C3 Co1 C4 141.98(5) 3 . ? C3 Co1 C4 38.02(5) . . ? C2 Co1 C4 112.98(5) 3 . ? C2 Co1 C4 67.02(5) . . ? C1 Co1 C4 70.63(6) . . ? C1 Co1 C4 109.37(6) 3 . ? C4 Co1 C4 180.00(4) 3 . ? C3 Co1 P1 72.99(4) 3 3 ? C3 Co1 P1 107.01(4) . 3 ? C2 Co1 P1 73.08(4) 3 3 ? C2 Co1 P1 106.92(4) . 3 ? C1 Co1 P1 133.62(4) . 3 ? C1 Co1 P1 46.38(4) 3 3 ? C4 Co1 P1 46.27(4) 3 3 ? C4 Co1 P1 133.73(4) . 3 ? C3 Co1 P1 107.01(4) 3 . ? C3 Co1 P1 72.99(4) . . ? C2 Co1 P1 106.92(4) 3 . ? C2 Co1 P1 73.08(4) . . ? C1 Co1 P1 46.38(4) . . ? C1 Co1 P1 133.62(4) 3 . ? C4 Co1 P1 133.73(4) 3 . ? C4 Co1 P1 46.27(4) . . ? P1 Co1 P1 180.00(3) 3 . ? C1 P1 C4 90.97(7) . . ? C1 P1 Co1 61.97(5) . . ? C4 P1 Co1 64.29(5) . . ? C7 Si1 C8 107.98(9) . . ? C7 Si1 C4 113.89(7) . . ? C8 Si1 C4 108.05(7) . . ? C7 Si1 C9 108.99(8) . . ? C8 Si1 C9 107.33(8) . . ? C4 Si1 C9 110.36(7) . . ? C2 C1 P1 113.05(12) . . ? C2 C1 Co1 69.23(9) . . ? P1 C1 Co1 71.65(6) . . ? C1 C2 C3 111.93(14) . . ? C1 C2 C5 124.58(15) . . ? C3 C2 C5 123.44(14) . . ? C1 C2 Co1 72.77(9) . . ? C3 C2 Co1 69.84(8) . . ? C5 C2 Co1 127.07(11) . . ? C4 C3 C2 113.65(13) . . ? C4 C3 C6 125.72(13) . . ? C2 C3 C6 120.53(13) . . ? C4 C3 Co1 75.67(8) . . ? C2 C3 Co1 70.02(8) . . ? C6 C3 Co1 125.27(11) . . ? C3 C4 P1 110.16(10) . . ? C3 C4 Si1 130.21(11) . . ? P1 C4 Si1 119.63(8) . . ? C3 C4 Co1 66.31(8) . . ? P1 C4 Co1 69.45(5) . . ? Si1 C4 Co1 131.36(8) . . ? C11 C9 C12 108.32(14) . . ? C11 C9 C10 109.08(14) . . ? C12 C9 C10 108.34(14) . . ? C11 C9 Si1 109.93(10) . . ? C12 C9 Si1 112.02(11) . . ? C10 C9 Si1 109.10(11) . . ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 30.03 _diffrn_measured_fraction_theta_full 0.994 _refine_diff_density_max 0.494 _refine_diff_density_min -0.475 _refine_diff_density_rms 0.062