# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 186/2108 data_(tBuP)3[GaC(SiMe3)3] _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C22 H54 Ga P3 Si3' _chemical_formula_weight 565.55 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' 'Ga' 'Ga' 0.2307 1.6083 '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 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 9.3371(4) _cell_length_b 20.8850(10) _cell_length_c 16.4440(10) _cell_angle_alpha 90.00 _cell_angle_beta 94.534(7) _cell_angle_gamma 90.00 _cell_volume 3196.6(3) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min 1.8 _cell_measurement_theta_max 26.05 _exptl_crystal_description ? _exptl_crystal_colour red _exptl_crystal_size_max 0.55 _exptl_crystal_size_mid 0.45 _exptl_crystal_size_min 0.30 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.175 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1216 _exptl_absorpt_coefficient_mu 1.132 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 193(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 27719 _diffrn_reflns_av_R_equivalents 0.0380 _diffrn_reflns_av_sigmaI/netI 0.0366 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -25 _diffrn_reflns_limit_k_max 25 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 1.95 _diffrn_reflns_theta_max 26.03 _reflns_number_total 11183 _reflns_number_gt 10288 _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 w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.003(5) _refine_ls_number_reflns 11183 _refine_ls_number_parameters 559 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0278 _refine_ls_R_factor_gt 0.0243 _refine_ls_wR_factor_ref 0.0700 _refine_ls_wR_factor_gt 0.0666 _refine_ls_goodness_of_fit_ref 0.574 _refine_ls_restrained_S_all 0.574 _refine_ls_shift/su_max 0.492 _refine_ls_shift/su_mean 0.008 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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ga1 Ga 0.33089(3) 0.867022(10) 0.968337(14) 0.01647(6) Uani 1 d . . . P1 P 0.17249(7) 0.95511(3) 0.96000(4) 0.01970(13) Uani 1 d . . . P2 P 0.32924(7) 0.99830(3) 0.88161(4) 0.01779(12) Uani 1 d . . . P3 P 0.45984(7) 0.91155(3) 0.86346(4) 0.01994(12) Uani 1 d . . . C1 C 0.3083(3) 0.77695(11) 1.00742(14) 0.0179(5) Uani 1 d . . . Si1 Si 0.22763(8) 0.72814(3) 0.91711(4) 0.02170(14) Uani 1 d . . . C11 C 0.2946(4) 0.75203(15) 0.81711(17) 0.0420(8) Uani 1 d . . . H11A H 0.3972 0.7477 0.8200 0.050 Uiso 1 calc R . . H11B H 0.2687 0.7957 0.8054 0.050 Uiso 1 calc R . . H11C H 0.2521 0.7249 0.7747 0.050 Uiso 1 calc R . . C12 C 0.2626(4) 0.64011(12) 0.93081(18) 0.0343(7) Uani 1 d . . . H12A H 0.2052 0.6167 0.8900 0.041 Uiso 1 calc R . . H12B H 0.2380 0.6272 0.9840 0.041 Uiso 1 calc R . . H12C H 0.3624 0.6315 0.9255 0.041 Uiso 1 calc R . . C13 C 0.0275(4) 0.73778(16) 0.90011(19) 0.0403(7) Uani 1 d . . . H13A H -0.0066 0.7155 0.8513 0.048 Uiso 1 calc R . . H13B H 0.0043 0.7824 0.8945 0.048 Uiso 1 calc R . . H13C H -0.0173 0.7204 0.9458 0.048 Uiso 1 calc R . . Si2 Si 0.49852(8) 0.75060(3) 1.04012(4) 0.02301(15) Uani 1 d . . . C21 C 0.5115(4) 0.67957(14) 1.1102(2) 0.0405(7) Uani 1 d . . . H21A H 0.4630 0.6437 1.0839 0.049 Uiso 1 calc R . . H21B H 0.4673 0.6897 1.1594 0.049 Uiso 1 calc R . . H21C H 0.6107 0.6690 1.1233 0.049 Uiso 1 calc R . . C22 C 0.5972(3) 0.81813(14) 1.09630(17) 0.0308(6) Uani 1 d . . . H22A H 0.6979 0.8084 1.1029 0.037 Uiso 1 calc R . . H22B H 0.5610 0.8234 1.1489 0.037 Uiso 1 calc R . . H22C H 0.5829 0.8570 1.0656 0.037 Uiso 1 calc R . . C23 C 0.6031(4) 0.72908(15) 0.9519(2) 0.0395(7) Uani 1 d . . . H23A H 0.5964 0.7632 0.9127 0.047 Uiso 1 calc R . . H23B H 0.5646 0.6905 0.9269 0.047 Uiso 1 calc R . . H23C H 0.7019 0.7224 0.9707 0.047 Uiso 1 calc R . . Si3 Si 0.18839(8) 0.77460(3) 1.09526(4) 0.02206(14) Uani 1 d . . . C31 C 0.2779(4) 0.81100(16) 1.19004(16) 0.0357(7) Uani 1 d . . . H31A H 0.3043 0.8544 1.1792 0.043 Uiso 1 calc R . . H31B H 0.3624 0.7868 1.2071 0.043 Uiso 1 calc R . . H31C H 0.2129 0.8104 1.2324 0.043 Uiso 1 calc R . . C32 C 0.0129(3) 0.81791(14) 1.07389(18) 0.0334(6) Uani 1 d . . . H32A H -0.0204 0.8329 1.1242 0.040 Uiso 1 calc R . . H32B H -0.0568 0.7892 1.0479 0.040 Uiso 1 calc R . . H32C H 0.0264 0.8537 1.0387 0.040 Uiso 1 calc R . . C33 C 0.1363(4) 0.69088(14) 1.12349(19) 0.0401(7) Uani 1 d . . . H33A H 0.2213 0.6654 1.1341 0.048 Uiso 1 calc R . . H33B H 0.0770 0.6723 1.0793 0.048 Uiso 1 calc R . . H33C H 0.0840 0.6922 1.1714 0.048 Uiso 1 calc R . . CT1 C 0.2005(3) 1.00770(12) 1.05459(16) 0.0260(6) Uani 1 d . . . CT11 C 0.1124(3) 1.06339(14) 0.79350(18) 0.0344(6) Uani 1 d . . . HT1A H 0.0565 1.0719 0.7431 0.041 Uiso 1 calc R . . HT1B H 0.1648 1.1012 0.8108 0.041 Uiso 1 calc R . . HT1C H 0.0496 1.0513 0.8344 0.041 Uiso 1 calc R . . CT12 C 0.1451(4) 1.07450(14) 1.0286(2) 0.0431(8) Uani 1 d . . . HT1D H 0.1516 1.1025 1.0750 0.052 Uiso 1 calc R . . HT1E H 0.0468 1.0714 1.0070 0.052 Uiso 1 calc R . . HT1F H 0.2023 1.0913 0.9875 0.052 Uiso 1 calc R . . CT13 C 0.1050(4) 0.98145(15) 1.11799(19) 0.0408(8) Uani 1 d . . . HT1G H 0.1396 0.9401 1.1360 0.049 Uiso 1 calc R . . HT1H H 0.0082 0.9776 1.0941 0.049 Uiso 1 calc R . . HT1I H 0.1071 1.0101 1.1637 0.049 Uiso 1 calc R . . CT2 C 0.2175(3) 1.00900(12) 0.78106(15) 0.0231(5) Uani 1 d . . . CT21 C 0.3545(4) 1.01209(16) 1.08958(19) 0.0407(7) Uani 1 d . . . HT2A H 0.3603 1.0400 1.1361 0.049 Uiso 1 calc R . . HT2B H 0.4128 1.0288 1.0490 0.049 Uiso 1 calc R . . HT2C H 0.3883 0.9702 1.1059 0.049 Uiso 1 calc R . . CT22 C 0.1362(3) 0.94893(13) 0.75160(17) 0.0322(6) Uani 1 d . . . HT2D H 0.0789 0.9582 0.7020 0.039 Uiso 1 calc R . . HT2E H 0.0751 0.9351 0.7925 0.039 Uiso 1 calc R . . HT2F H 0.2036 0.9156 0.7418 0.039 Uiso 1 calc R . . CT23 C 0.3222(3) 1.02891(14) 0.71824(16) 0.0331(6) Uani 1 d . . . HT2G H 0.3890 0.9948 0.7113 0.040 Uiso 1 calc R . . HT2H H 0.3737 1.0665 0.7371 0.040 Uiso 1 calc R . . HT2I H 0.2694 1.0379 0.6670 0.040 Uiso 1 calc R . . CT3 C 0.6508(3) 0.94235(12) 0.88879(16) 0.0246(5) Uani 1 d . . . CT31 C 0.6740(4) 0.97985(14) 0.9681(2) 0.0352(7) Uani 1 d . . . HT3A H 0.6539 0.9528 1.0130 0.042 Uiso 1 calc R . . HT3B H 0.6109 1.0162 0.9662 0.042 Uiso 1 calc R . . HT3C H 0.7719 0.9942 0.9751 0.042 Uiso 1 calc R . . CT32 C 0.7516(3) 0.88435(13) 0.89123(19) 0.0333(6) Uani 1 d . . . HT3D H 0.8495 0.8987 0.8985 0.040 Uiso 1 calc R . . HT3E H 0.7371 0.8611 0.8409 0.040 Uiso 1 calc R . . HT3F H 0.7313 0.8570 0.9358 0.040 Uiso 1 calc R . . CT33 C 0.6830(4) 0.98511(16) 0.8173(2) 0.0423(8) Uani 1 d . . . HT3G H 0.6223 1.0222 0.8163 0.051 Uiso 1 calc R . . HT3H H 0.6651 0.9618 0.7672 0.051 Uiso 1 calc R . . HT3I H 0.7818 0.9982 0.8233 0.051 Uiso 1 calc R . . Ga2 Ga 0.32540(3) 0.409321(10) 0.549525(14) 0.01647(6) Uani 1 d . . . P4 P 0.17299(7) 0.31892(3) 0.53945(4) 0.02067(14) Uani 1 d . . . P5 P 0.32887(7) 0.28153(3) 0.45612(4) 0.01786(12) Uani 1 d . . . P6 P 0.45240(7) 0.37092(3) 0.44173(3) 0.01846(12) Uani 1 d . . . C2 C 0.2971(3) 0.49808(11) 0.59090(14) 0.0172(5) Uani 1 d . . . Si4 Si 0.21652(8) 0.54819(3) 0.50193(4) 0.02389(15) Uani 1 d . . . C41 C 0.2398(4) 0.63636(13) 0.5211(2) 0.0373(7) Uani 1 d . . . H41A H 0.1953 0.6598 0.4756 0.045 Uiso 1 calc R . . H41B H 0.3403 0.6465 0.5276 0.045 Uiso 1 calc R . . H41C H 0.1956 0.6479 0.5698 0.045 Uiso 1 calc R . . C42 C 0.2936(5) 0.53029(17) 0.40307(19) 0.0533(10) Uani 1 d . . . H42A H 0.2732 0.4866 0.3880 0.064 Uiso 1 calc R . . H42B H 0.3957 0.5367 0.4089 0.064 Uiso 1 calc R . . H42C H 0.2515 0.5583 0.3615 0.064 Uiso 1 calc R . . C43 C 0.0194(4) 0.53492(17) 0.4803(2) 0.0468(9) Uani 1 d . . . H43A H -0.0134 0.5570 0.4311 0.056 Uiso 1 calc R . . H43B H -0.0305 0.5510 0.5249 0.056 Uiso 1 calc R . . H43C H 0.0008 0.4899 0.4738 0.056 Uiso 1 calc R . . Si5 Si 0.48336(8) 0.52674(3) 0.62831(4) 0.02393(15) Uani 1 d . . . C51 C 0.5927(4) 0.55607(16) 0.5446(2) 0.0457(8) Uani 1 d . . . H51A H 0.5506 0.5946 0.5215 0.055 Uiso 1 calc R . . H51B H 0.5943 0.5239 0.5030 0.055 Uiso 1 calc R . . H51C H 0.6891 0.5648 0.5665 0.055 Uiso 1 calc R . . C52 C 0.5878(3) 0.45938(13) 0.68026(17) 0.0311(6) Uani 1 d . . . H52A H 0.6754 0.4758 0.7069 0.037 Uiso 1 calc R . . H52B H 0.6098 0.4280 0.6405 0.037 Uiso 1 calc R . . H52C H 0.5315 0.4400 0.7200 0.037 Uiso 1 calc R . . C53 C 0.4840(4) 0.59476(14) 0.7038(2) 0.0394(7) Uani 1 d . . . H53A H 0.4347 0.5818 0.7501 0.047 Uiso 1 calc R . . H53B H 0.4363 0.6312 0.6784 0.047 Uiso 1 calc R . . H53C H 0.5813 0.6059 0.7212 0.047 Uiso 1 calc R . . Si6 Si 0.17310(8) 0.49567(3) 0.67705(4) 0.02075(14) Uani 1 d . . . C61 C 0.0021(3) 0.44958(15) 0.65261(19) 0.0342(6) Uani 1 d . . . H61A H -0.0361 0.4362 0.7024 0.041 Uiso 1 calc R . . H61B H 0.0218 0.4126 0.6206 0.041 Uiso 1 calc R . . H61C H -0.0665 0.4764 0.6223 0.041 Uiso 1 calc R . . C62 C 0.2628(3) 0.45776(15) 0.77120(16) 0.0326(6) Uani 1 d . . . H62A H 0.3386 0.4851 0.7936 0.039 Uiso 1 calc R . . H62B H 0.3020 0.4170 0.7575 0.039 Uiso 1 calc R . . H62C H 0.1936 0.4518 0.8107 0.039 Uiso 1 calc R . . C63 C 0.1102(4) 0.57738(13) 0.70660(18) 0.0344(7) Uani 1 d . . . H63A H 0.0497 0.5952 0.6624 0.041 Uiso 1 calc R . . H63B H 0.1918 0.6047 0.7185 0.041 Uiso 1 calc R . . H63C H 0.0570 0.5739 0.7540 0.041 Uiso 1 calc R . . CT4 C 0.2046(3) 0.26242(13) 0.63002(16) 0.0290(6) Uani 1 d . . . CT41 C 0.3595(4) 0.26137(18) 0.66622(19) 0.0453(8) Uani 1 d . . . HT4A H 0.3667 0.2351 0.7143 0.054 Uiso 1 calc R . . HT4B H 0.3897 0.3042 0.6803 0.054 Uiso 1 calc R . . HT4C H 0.4199 0.2442 0.6270 0.054 Uiso 1 calc R . . CT42 C 0.1585(5) 0.19569(14) 0.6003(2) 0.0489(9) Uani 1 d . . . HT4D H 0.2213 0.1812 0.5606 0.059 Uiso 1 calc R . . HT4E H 0.0617 0.1973 0.5759 0.059 Uiso 1 calc R . . HT4F H 0.1635 0.1666 0.6456 0.059 Uiso 1 calc R . . CT43 C 0.1072(4) 0.28461(17) 0.69527(18) 0.0431(8) Uani 1 d . . . HT4G H 0.0091 0.2847 0.6729 0.052 Uiso 1 calc R . . HT4H H 0.1342 0.3271 0.7128 0.052 Uiso 1 calc R . . HT4I H 0.1174 0.2560 0.7410 0.052 Uiso 1 calc R . . CT5 C 0.2141(3) 0.27552(12) 0.35655(15) 0.0236(5) Uani 1 d . . . CT51 C 0.3162(4) 0.26131(14) 0.29005(17) 0.0340(7) Uani 1 d . . . HT5A H 0.2613 0.2546 0.2389 0.041 Uiso 1 calc R . . HT5B H 0.3711 0.2235 0.3044 0.041 Uiso 1 calc R . . HT5C H 0.3801 0.2969 0.2853 0.041 Uiso 1 calc R . . CT52 C 0.1256(3) 0.33467(13) 0.33308(17) 0.0303(6) Uani 1 d . . . HT5D H 0.1884 0.3707 0.3287 0.036 Uiso 1 calc R . . HT5E H 0.0605 0.3431 0.3741 0.036 Uiso 1 calc R . . HT5F H 0.0721 0.3276 0.2816 0.036 Uiso 1 calc R . . CT53 C 0.1127(4) 0.21861(14) 0.36550(19) 0.0393(7) Uani 1 d . . . HT5G H 0.0511 0.2273 0.4082 0.047 Uiso 1 calc R . . HT5H H 0.1681 0.1808 0.3788 0.047 Uiso 1 calc R . . HT5I H 0.0553 0.2121 0.3151 0.047 Uiso 1 calc R . . CT6 C 0.6457(3) 0.34327(11) 0.46494(15) 0.0228(5) Uani 1 d . . . CT61 C 0.6808(4) 0.30256(14) 0.39127(18) 0.0326(6) Uani 1 d . . . HT6A H 0.6641 0.3273 0.3422 0.039 Uiso 1 calc R . . HT6B H 0.6206 0.2652 0.3879 0.039 Uiso 1 calc R . . HT6C H 0.7798 0.2897 0.3976 0.039 Uiso 1 calc R . . CT62 C 0.7409(3) 0.40283(14) 0.46848(18) 0.0322(6) Uani 1 d . . . HT6D H 0.7230 0.4277 0.5157 0.039 Uiso 1 calc R . . HT6E H 0.7196 0.4281 0.4202 0.039 Uiso 1 calc R . . HT6F H 0.8400 0.3902 0.4717 0.039 Uiso 1 calc R . . CT63 C 0.6744(3) 0.30428(13) 0.54267(17) 0.0292(6) Uani 1 d . . . HT6G H 0.7744 0.2932 0.5496 0.035 Uiso 1 calc R . . HT6H H 0.6177 0.2659 0.5389 0.035 Uiso 1 calc R . . HT6I H 0.6493 0.3291 0.5886 0.035 Uiso 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 Ga1 0.01611(15) 0.01345(11) 0.01998(12) 0.00071(9) 0.00219(9) 0.00022(9) P1 0.0181(4) 0.0179(3) 0.0236(3) 0.0017(2) 0.0048(2) 0.0021(2) P2 0.0180(4) 0.0151(3) 0.0203(3) 0.0015(2) 0.0017(2) -0.0010(2) P3 0.0175(3) 0.0180(3) 0.0247(3) -0.0008(2) 0.0036(2) -0.0004(2) C1 0.0181(14) 0.0157(10) 0.0198(11) 0.0007(8) 0.0014(9) 0.0002(9) Si1 0.0267(4) 0.0166(3) 0.0214(3) 0.0001(2) -0.0006(3) -0.0043(3) C11 0.066(2) 0.0354(15) 0.0246(14) -0.0033(11) 0.0053(13) -0.0196(15) C12 0.045(2) 0.0202(12) 0.0365(15) -0.0034(10) -0.0006(12) -0.0046(12) C13 0.034(2) 0.0446(17) 0.0397(16) -0.0043(13) -0.0138(13) -0.0040(13) Si2 0.0185(4) 0.0199(3) 0.0302(4) 0.0010(3) -0.0008(3) 0.0031(3) C21 0.040(2) 0.0293(14) 0.0499(18) 0.0105(12) -0.0079(14) 0.0096(13) C22 0.0185(16) 0.0361(15) 0.0368(15) -0.0011(11) -0.0035(10) -0.0032(11) C23 0.0273(19) 0.0349(15) 0.0577(19) -0.0091(13) 0.0119(13) 0.0052(12) Si3 0.0211(4) 0.0230(3) 0.0226(3) 0.0021(3) 0.0053(3) -0.0024(3) C31 0.0357(19) 0.0478(17) 0.0237(13) -0.0040(12) 0.0036(11) 0.0015(13) C32 0.0226(17) 0.0379(15) 0.0409(16) -0.0005(12) 0.0094(11) 0.0001(12) C33 0.047(2) 0.0342(15) 0.0410(16) 0.0110(12) 0.0134(13) -0.0092(13) CT1 0.0298(17) 0.0224(12) 0.0270(13) -0.0035(10) 0.0102(10) 0.0045(10) CT11 0.0312(19) 0.0331(14) 0.0377(15) 0.0055(11) -0.0050(12) 0.0080(12) CT12 0.061(2) 0.0228(14) 0.0476(18) -0.0047(12) 0.0168(15) 0.0128(13) CT13 0.052(2) 0.0396(16) 0.0344(15) -0.0020(12) 0.0233(14) 0.0049(14) CT2 0.0224(15) 0.0231(12) 0.0231(12) 0.0037(9) -0.0019(9) 0.0007(10) CT21 0.040(2) 0.0504(19) 0.0319(15) -0.0149(13) 0.0031(12) -0.0041(14) CT22 0.0343(18) 0.0323(14) 0.0285(13) -0.0013(11) -0.0073(11) -0.0049(12) CT23 0.0388(19) 0.0373(14) 0.0235(13) 0.0106(11) 0.0032(11) -0.0040(12) CT3 0.0149(15) 0.0263(12) 0.0332(14) 0.0024(10) 0.0053(10) -0.0009(10) CT31 0.0233(18) 0.0333(15) 0.0486(18) -0.0118(13) -0.0002(12) -0.0047(11) CT32 0.0201(17) 0.0348(14) 0.0452(16) -0.0061(11) 0.0042(11) 0.0060(11) CT33 0.0244(19) 0.0495(18) 0.0547(19) 0.0180(14) 0.0144(13) -0.0059(13) Ga2 0.01736(15) 0.01259(11) 0.01966(12) -0.00146(9) 0.00267(9) 0.00008(9) P4 0.0214(4) 0.0178(3) 0.0234(3) -0.0003(2) 0.0050(2) -0.0038(2) P5 0.0190(4) 0.0137(3) 0.0206(3) -0.0009(2) -0.0003(2) 0.0001(2) P6 0.0175(3) 0.0158(3) 0.0223(3) -0.0016(2) 0.0035(2) -0.0001(2) C2 0.0172(14) 0.0128(10) 0.0217(11) -0.0015(8) 0.0027(9) 0.0011(9) Si4 0.0302(5) 0.0166(3) 0.0244(3) 0.0013(2) -0.0010(3) 0.0035(3) C41 0.044(2) 0.0188(12) 0.0485(17) 0.0057(11) 0.0007(13) 0.0035(12) C42 0.087(3) 0.0444(18) 0.0293(15) 0.0104(13) 0.0124(16) 0.0279(19) C43 0.041(2) 0.0441(18) 0.0513(19) 0.0140(15) -0.0183(15) -0.0055(15) Si5 0.0170(4) 0.0184(3) 0.0362(4) -0.0032(3) 0.0008(3) -0.0013(3) C51 0.029(2) 0.0370(16) 0.073(2) 0.0128(15) 0.0152(15) -0.0007(13) C52 0.0239(17) 0.0325(14) 0.0363(15) -0.0029(11) -0.0014(11) 0.0054(11) C53 0.036(2) 0.0271(13) 0.0523(18) -0.0146(13) -0.0110(13) -0.0041(12) Si6 0.0189(4) 0.0216(3) 0.0221(3) -0.0025(2) 0.0037(2) 0.0036(3) C61 0.0217(17) 0.0401(16) 0.0420(16) -0.0052(13) 0.0095(11) -0.0019(12) C62 0.0310(18) 0.0399(15) 0.0273(13) 0.0055(11) 0.0041(11) 0.0029(12) C63 0.0364(19) 0.0298(14) 0.0382(15) -0.0070(11) 0.0102(12) 0.0087(12) CT4 0.0369(17) 0.0261(13) 0.0245(13) 0.0054(10) 0.0051(10) -0.0074(11) CT41 0.042(2) 0.060(2) 0.0326(16) 0.0132(14) -0.0047(13) 0.0012(15) CT42 0.074(3) 0.0261(15) 0.0469(18) 0.0090(13) 0.0080(16) -0.0129(15) CT43 0.050(2) 0.0483(17) 0.0328(16) 0.0065(13) 0.0155(14) -0.0086(15) CT5 0.0259(16) 0.0218(12) 0.0223(12) -0.0033(9) -0.0022(9) -0.0034(10) CT51 0.0409(19) 0.0347(14) 0.0254(13) -0.0082(11) -0.0023(11) 0.0094(13) CT52 0.0286(17) 0.0339(14) 0.0277(13) 0.0015(11) -0.0033(11) 0.0038(11) CT53 0.043(2) 0.0307(14) 0.0421(16) -0.0011(12) -0.0112(13) -0.0140(13) CT6 0.0175(15) 0.0232(12) 0.0284(13) -0.0047(9) 0.0066(10) 0.0017(9) CT61 0.0258(18) 0.0364(15) 0.0366(15) -0.0119(12) 0.0083(11) 0.0038(12) CT62 0.0205(16) 0.0338(14) 0.0429(15) -0.0070(12) 0.0056(11) -0.0069(11) CT63 0.0228(17) 0.0300(13) 0.0343(14) -0.0002(10) -0.0003(11) 0.0062(10) _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 Ga1 C1 2.004(2) . ? Ga1 P1 2.3577(7) . ? Ga1 P3 2.3700(7) . ? P1 CT1 1.905(3) . ? P1 P2 2.2172(9) . ? P2 CT2 1.897(3) . ? P2 P3 2.2173(9) . ? P3 CT3 1.911(3) . ? C1 Si2 1.897(3) . ? C1 Si3 1.897(2) . ? C1 Si1 1.906(2) . ? Si1 C11 1.872(3) . ? Si1 C12 1.878(3) . ? Si1 C13 1.878(3) . ? C11 H11A 0.9599 . ? C11 H11B 0.9599 . ? C11 H11C 0.9599 . ? C12 H12A 0.9599 . ? C12 H12B 0.9599 . ? C12 H12C 0.9599 . ? C13 H13A 0.9599 . ? C13 H13B 0.9599 . ? C13 H13C 0.9599 . ? Si2 C23 1.867(3) . ? Si2 C21 1.877(3) . ? Si2 C22 1.886(3) . ? C21 H21A 0.9599 . ? C21 H21B 0.9599 . ? C21 H21C 0.9599 . ? C22 H22A 0.9599 . ? C22 H22B 0.9599 . ? C22 H22C 0.9599 . ? C23 H23A 0.9599 . ? C23 H23B 0.9599 . ? C23 H23C 0.9599 . ? Si3 C31 1.871(3) . ? Si3 C32 1.880(3) . ? Si3 C33 1.883(3) . ? C31 H31A 0.9599 . ? C31 H31B 0.9599 . ? C31 H31C 0.9599 . ? C32 H32A 0.9599 . ? C32 H32B 0.9599 . ? C32 H32C 0.9599 . ? C33 H33A 0.9599 . ? C33 H33B 0.9599 . ? C33 H33C 0.9599 . ? CT1 CT21 1.508(4) . ? CT1 CT13 1.526(4) . ? CT1 CT12 1.537(4) . ? CT11 CT2 1.525(4) . ? CT11 HT1A 0.9599 . ? CT11 HT1B 0.9599 . ? CT11 HT1C 0.9599 . ? CT12 HT1D 0.9599 . ? CT12 HT1E 0.9599 . ? CT12 HT1F 0.9599 . ? CT13 HT1G 0.9599 . ? CT13 HT1H 0.9599 . ? CT13 HT1I 0.9599 . ? CT2 CT22 1.525(4) . ? CT2 CT23 1.535(4) . ? CT21 HT2A 0.9599 . ? CT21 HT2B 0.9599 . ? CT21 HT2C 0.9599 . ? CT22 HT2D 0.9599 . ? CT22 HT2E 0.9599 . ? CT22 HT2F 0.9599 . ? CT23 HT2G 0.9599 . ? CT23 HT2H 0.9599 . ? CT23 HT2I 0.9599 . ? CT3 CT31 1.522(4) . ? CT3 CT33 1.525(4) . ? CT3 CT32 1.532(4) . ? CT31 HT3A 0.9599 . ? CT31 HT3B 0.9599 . ? CT31 HT3C 0.9599 . ? CT32 HT3D 0.9599 . ? CT32 HT3E 0.9599 . ? CT32 HT3F 0.9599 . ? CT33 HT3G 0.9599 . ? CT33 HT3H 0.9599 . ? CT33 HT3I 0.9599 . ? Ga2 C2 1.999(2) . ? Ga2 P6 2.3502(6) . ? Ga2 P4 2.3622(7) . ? P4 CT4 1.905(3) . ? P4 P5 2.2185(9) . ? P5 CT5 1.889(3) . ? P5 P6 2.2169(9) . ? P6 CT6 1.904(3) . ? C2 Si5 1.896(3) . ? C2 Si6 1.900(2) . ? C2 Si4 1.904(2) . ? Si4 C42 1.867(3) . ? Si4 C43 1.867(4) . ? Si4 C41 1.878(3) . ? C41 H41A 0.9599 . ? C41 H41B 0.9599 . ? C41 H41C 0.9599 . ? C42 H42A 0.9599 . ? C42 H42B 0.9599 . ? C42 H42C 0.9599 . ? C43 H43A 0.9599 . ? C43 H43B 0.9599 . ? C43 H43C 0.9599 . ? Si5 C52 1.878(3) . ? Si5 C51 1.881(3) . ? Si5 C53 1.886(3) . ? C51 H51A 0.9599 . ? C51 H51B 0.9599 . ? C51 H51C 0.9599 . ? C52 H52A 0.9599 . ? C52 H52B 0.9599 . ? C52 H52C 0.9599 . ? C53 H53A 0.9599 . ? C53 H53B 0.9599 . ? C53 H53C 0.9599 . ? Si6 C62 1.876(3) . ? Si6 C61 1.880(3) . ? Si6 C63 1.881(3) . ? C61 H61A 0.9599 . ? C61 H61B 0.9599 . ? C61 H61C 0.9599 . ? C62 H62A 0.9599 . ? C62 H62B 0.9599 . ? C62 H62C 0.9599 . ? C63 H63A 0.9599 . ? C63 H63B 0.9599 . ? C63 H63C 0.9599 . ? CT4 CT41 1.521(5) . ? CT4 CT42 1.528(4) . ? CT4 CT43 1.532(4) . ? CT41 HT4A 0.9599 . ? CT41 HT4B 0.9599 . ? CT41 HT4C 0.9599 . ? CT42 HT4D 0.9599 . ? CT42 HT4E 0.9599 . ? CT42 HT4F 0.9599 . ? CT43 HT4G 0.9599 . ? CT43 HT4H 0.9599 . ? CT43 HT4I 0.9599 . ? CT5 CT52 1.519(4) . ? CT5 CT53 1.534(4) . ? CT5 CT51 1.535(4) . ? CT51 HT5A 0.9599 . ? CT51 HT5B 0.9599 . ? CT51 HT5C 0.9599 . ? CT52 HT5D 0.9599 . ? CT52 HT5E 0.9599 . ? CT52 HT5F 0.9599 . ? CT53 HT5G 0.9599 . ? CT53 HT5H 0.9599 . ? CT53 HT5I 0.9599 . ? CT6 CT63 1.521(4) . ? CT6 CT62 1.528(4) . ? CT6 CT61 1.537(3) . ? CT61 HT6A 0.9599 . ? CT61 HT6B 0.9599 . ? CT61 HT6C 0.9599 . ? CT62 HT6D 0.9599 . ? CT62 HT6E 0.9599 . ? CT62 HT6F 0.9599 . ? CT63 HT6G 0.9599 . ? CT63 HT6H 0.9599 . ? CT63 HT6I 0.9599 . ? 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 Ga1 P1 132.02(7) . . ? C1 Ga1 P3 132.38(7) . . ? P1 Ga1 P3 90.23(2) . . ? CT1 P1 P2 100.70(9) . . ? CT1 P1 Ga1 110.93(9) . . ? P2 P1 Ga1 84.91(3) . . ? CT2 P2 P3 104.45(8) . . ? CT2 P2 P1 102.22(9) . . ? P3 P2 P1 98.12(3) . . ? CT3 P3 P2 102.08(8) . . ? CT3 P3 Ga1 119.51(8) . . ? P2 P3 Ga1 84.62(3) . . ? Si2 C1 Si3 111.87(12) . . ? Si2 C1 Si1 111.65(12) . . ? Si3 C1 Si1 111.04(12) . . ? Si2 C1 Ga1 104.07(12) . . ? Si3 C1 Ga1 110.61(11) . . ? Si1 C1 Ga1 107.29(11) . . ? C11 Si1 C12 107.42(14) . . ? C11 Si1 C13 103.77(16) . . ? C12 Si1 C13 106.51(15) . . ? C11 Si1 C1 113.76(12) . . ? C12 Si1 C1 112.08(12) . . ? C13 Si1 C1 112.68(13) . . ? Si1 C11 H11A 109.5 . . ? Si1 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? Si1 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? Si1 C12 H12A 109.5 . . ? Si1 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? Si1 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? Si1 C13 H13A 109.5 . . ? Si1 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? Si1 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C23 Si2 C21 105.96(15) . . ? C23 Si2 C22 107.19(15) . . ? C21 Si2 C22 106.55(14) . . ? C23 Si2 C1 112.66(13) . . ? C21 Si2 C1 114.64(14) . . ? C22 Si2 C1 109.40(12) . . ? Si2 C21 H21A 109.5 . . ? Si2 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? Si2 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? Si2 C22 H22A 109.5 . . ? Si2 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? Si2 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? Si2 C23 H23A 109.5 . . ? Si2 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? Si2 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C31 Si3 C32 106.59(14) . . ? C31 Si3 C33 106.21(15) . . ? C32 Si3 C33 104.74(15) . . ? C31 Si3 C1 111.86(13) . . ? C32 Si3 C1 113.77(12) . . ? C33 Si3 C1 113.04(13) . . ? Si3 C31 H31A 109.5 . . ? Si3 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? Si3 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? Si3 C32 H32A 109.5 . . ? Si3 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? Si3 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? Si3 C33 H33A 109.5 . . ? Si3 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? Si3 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? CT21 CT1 CT13 110.6(3) . . ? CT21 CT1 CT12 109.9(3) . . ? CT13 CT1 CT12 108.3(2) . . ? CT21 CT1 P1 114.32(19) . . ? CT13 CT1 P1 107.49(19) . . ? CT12 CT1 P1 105.93(19) . . ? CT2 CT11 HT1A 109.5 . . ? CT2 CT11 HT1B 109.5 . . ? HT1A CT11 HT1B 109.5 . . ? CT2 CT11 HT1C 109.5 . . ? HT1A CT11 HT1C 109.5 . . ? HT1B CT11 HT1C 109.5 . . ? CT1 CT12 HT1D 109.5 . . ? CT1 CT12 HT1E 109.5 . . ? HT1D CT12 HT1E 109.5 . . ? CT1 CT12 HT1F 109.5 . . ? HT1D CT12 HT1F 109.5 . . ? HT1E CT12 HT1F 109.5 . . ? CT1 CT13 HT1G 109.5 . . ? CT1 CT13 HT1H 109.5 . . ? HT1G CT13 HT1H 109.5 . . ? CT1 CT13 HT1I 109.5 . . ? HT1G CT13 HT1I 109.5 . . ? HT1H CT13 HT1I 109.5 . . ? CT11 CT2 CT22 110.3(2) . . ? CT11 CT2 CT23 109.8(2) . . ? CT22 CT2 CT23 109.7(2) . . ? CT11 CT2 P2 106.64(18) . . ? CT22 CT2 P2 113.92(17) . . ? CT23 CT2 P2 106.41(18) . . ? CT1 CT21 HT2A 109.5 . . ? CT1 CT21 HT2B 109.5 . . ? HT2A CT21 HT2B 109.5 . . ? CT1 CT21 HT2C 109.5 . . ? HT2A CT21 HT2C 109.5 . . ? HT2B CT21 HT2C 109.5 . . ? CT2 CT22 HT2D 109.5 . . ? CT2 CT22 HT2E 109.5 . . ? HT2D CT22 HT2E 109.5 . . ? CT2 CT22 HT2F 109.5 . . ? HT2D CT22 HT2F 109.5 . . ? HT2E CT22 HT2F 109.5 . . ? CT2 CT23 HT2G 109.5 . . ? CT2 CT23 HT2H 109.5 . . ? HT2G CT23 HT2H 109.5 . . ? CT2 CT23 HT2I 109.5 . . ? HT2G CT23 HT2I 109.5 . . ? HT2H CT23 HT2I 109.5 . . ? CT31 CT3 CT33 109.6(3) . . ? CT31 CT3 CT32 109.8(2) . . ? CT33 CT3 CT32 109.0(2) . . ? CT31 CT3 P3 115.3(2) . . ? CT33 CT3 P3 105.4(2) . . ? CT32 CT3 P3 107.46(18) . . ? CT3 CT31 HT3A 109.5 . . ? CT3 CT31 HT3B 109.5 . . ? HT3A CT31 HT3B 109.5 . . ? CT3 CT31 HT3C 109.5 . . ? HT3A CT31 HT3C 109.5 . . ? HT3B CT31 HT3C 109.5 . . ? CT3 CT32 HT3D 109.5 . . ? CT3 CT32 HT3E 109.5 . . ? HT3D CT32 HT3E 109.5 . . ? CT3 CT32 HT3F 109.5 . . ? HT3D CT32 HT3F 109.5 . . ? HT3E CT32 HT3F 109.5 . . ? CT3 CT33 HT3G 109.5 . . ? CT3 CT33 HT3H 109.5 . . ? HT3G CT33 HT3H 109.5 . . ? CT3 CT33 HT3I 109.5 . . ? HT3G CT33 HT3I 109.5 . . ? HT3H CT33 HT3I 109.5 . . ? C2 Ga2 P6 131.40(7) . . ? C2 Ga2 P4 132.04(7) . . ? P6 Ga2 P4 90.66(2) . . ? CT4 P4 P5 101.32(10) . . ? CT4 P4 Ga2 112.65(9) . . ? P5 P4 Ga2 84.47(3) . . ? CT5 P5 P6 103.16(8) . . ? CT5 P5 P4 101.77(9) . . ? P6 P5 P4 98.15(3) . . ? CT6 P6 P5 102.47(8) . . ? CT6 P6 Ga2 118.61(8) . . ? P5 P6 Ga2 84.78(3) . . ? Si5 C2 Si6 111.34(12) . . ? Si5 C2 Si4 111.86(12) . . ? Si6 C2 Si4 111.14(12) . . ? Si5 C2 Ga2 105.09(11) . . ? Si6 C2 Ga2 109.51(11) . . ? Si4 C2 Ga2 107.63(11) . . ? C42 Si4 C43 104.28(19) . . ? C42 Si4 C41 107.14(16) . . ? C43 Si4 C41 106.06(16) . . ? C42 Si4 C2 113.76(13) . . ? C43 Si4 C2 112.83(13) . . ? C41 Si4 C2 112.13(13) . . ? Si4 C41 H41A 109.5 . . ? Si4 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? Si4 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? Si4 C42 H42A 109.5 . . ? Si4 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? Si4 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? Si4 C43 H43A 109.5 . . ? Si4 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? Si4 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? C52 Si5 C51 106.53(15) . . ? C52 Si5 C53 106.87(13) . . ? C51 Si5 C53 105.24(16) . . ? C52 Si5 C2 109.95(12) . . ? C51 Si5 C2 113.75(14) . . ? C53 Si5 C2 113.98(13) . . ? Si5 C51 H51A 109.5 . . ? Si5 C51 H51B 109.5 . . ? H51A C51 H51B 109.5 . . ? Si5 C51 H51C 109.5 . . ? H51A C51 H51C 109.5 . . ? H51B C51 H51C 109.5 . . ? Si5 C52 H52A 109.5 . . ? Si5 C52 H52B 109.5 . . ? H52A C52 H52B 109.5 . . ? Si5 C52 H52C 109.5 . . ? H52A C52 H52C 109.5 . . ? H52B C52 H52C 109.5 . . ? Si5 C53 H53A 109.5 . . ? Si5 C53 H53B 109.5 . . ? H53A C53 H53B 109.5 . . ? Si5 C53 H53C 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? C62 Si6 C61 106.04(14) . . ? C62 Si6 C63 107.32(14) . . ? C61 Si6 C63 104.04(15) . . ? C62 Si6 C2 111.60(12) . . ? C61 Si6 C2 114.28(12) . . ? C63 Si6 C2 112.94(12) . . ? Si6 C61 H61A 109.5 . . ? Si6 C61 H61B 109.5 . . ? H61A C61 H61B 109.5 . . ? Si6 C61 H61C 109.5 . . ? H61A C61 H61C 109.5 . . ? H61B C61 H61C 109.5 . . ? Si6 C62 H62A 109.5 . . ? Si6 C62 H62B 109.5 . . ? H62A C62 H62B 109.5 . . ? Si6 C62 H62C 109.5 . . ? H62A C62 H62C 109.5 . . ? H62B C62 H62C 109.5 . . ? Si6 C63 H63A 109.5 . . ? Si6 C63 H63B 109.5 . . ? H63A C63 H63B 109.5 . . ? Si6 C63 H63C 109.5 . . ? H63A C63 H63C 109.5 . . ? H63B C63 H63C 109.5 . . ? CT41 CT4 CT42 110.3(3) . . ? CT41 CT4 CT43 109.2(3) . . ? CT42 CT4 CT43 109.4(3) . . ? CT41 CT4 P4 113.5(2) . . ? CT42 CT4 P4 107.0(2) . . ? CT43 CT4 P4 107.3(2) . . ? CT4 CT41 HT4A 109.5 . . ? CT4 CT41 HT4B 109.5 . . ? HT4A CT41 HT4B 109.5 . . ? CT4 CT41 HT4C 109.5 . . ? HT4A CT41 HT4C 109.5 . . ? HT4B CT41 HT4C 109.5 . . ? CT4 CT42 HT4D 109.5 . . ? CT4 CT42 HT4E 109.5 . . ? HT4D CT42 HT4E 109.5 . . ? CT4 CT42 HT4F 109.5 . . ? HT4D CT42 HT4F 109.5 . . ? HT4E CT42 HT4F 109.5 . . ? CT4 CT43 HT4G 109.5 . . ? CT4 CT43 HT4H 109.5 . . ? HT4G CT43 HT4H 109.5 . . ? CT4 CT43 HT4I 109.5 . . ? HT4G CT43 HT4I 109.5 . . ? HT4H CT43 HT4I 109.5 . . ? CT52 CT5 CT53 109.1(2) . . ? CT52 CT5 CT51 109.4(2) . . ? CT53 CT5 CT51 110.0(2) . . ? CT52 CT5 P5 115.21(17) . . ? CT53 CT5 P5 106.30(18) . . ? CT51 CT5 P5 106.78(19) . . ? CT5 CT51 HT5A 109.5 . . ? CT5 CT51 HT5B 109.5 . . ? HT5A CT51 HT5B 109.5 . . ? CT5 CT51 HT5C 109.5 . . ? HT5A CT51 HT5C 109.5 . . ? HT5B CT51 HT5C 109.5 . . ? CT5 CT52 HT5D 109.5 . . ? CT5 CT52 HT5E 109.5 . . ? HT5D CT52 HT5E 109.5 . . ? CT5 CT52 HT5F 109.5 . . ? HT5D CT52 HT5F 109.5 . . ? HT5E CT52 HT5F 109.5 . . ? CT5 CT53 HT5G 109.5 . . ? CT5 CT53 HT5H 109.5 . . ? HT5G CT53 HT5H 109.5 . . ? CT5 CT53 HT5I 109.5 . . ? HT5G CT53 HT5I 109.5 . . ? HT5H CT53 HT5I 109.5 . . ? CT63 CT6 CT62 109.9(2) . . ? CT63 CT6 CT61 109.4(2) . . ? CT62 CT6 CT61 108.7(2) . . ? CT63 CT6 P6 115.61(18) . . ? CT62 CT6 P6 107.48(18) . . ? CT61 CT6 P6 105.54(19) . . ? CT6 CT61 HT6A 109.5 . . ? CT6 CT61 HT6B 109.5 . . ? HT6A CT61 HT6B 109.5 . . ? CT6 CT61 HT6C 109.5 . . ? HT6A CT61 HT6C 109.5 . . ? HT6B CT61 HT6C 109.5 . . ? CT6 CT62 HT6D 109.5 . . ? CT6 CT62 HT6E 109.5 . . ? HT6D CT62 HT6E 109.5 . . ? CT6 CT62 HT6F 109.5 . . ? HT6D CT62 HT6F 109.5 . . ? HT6E CT62 HT6F 109.5 . . ? CT6 CT63 HT6G 109.5 . . ? CT6 CT63 HT6H 109.5 . . ? HT6G CT63 HT6H 109.5 . . ? CT6 CT63 HT6I 109.5 . . ? HT6G CT63 HT6I 109.5 . . ? HT6H CT63 HT6I 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 Ga1 P1 CT1 94.23(13) . . . . ? P3 Ga1 P1 CT1 -110.14(9) . . . . ? C1 Ga1 P1 P2 -166.23(9) . . . . ? P3 Ga1 P1 P2 -10.61(3) . . . . ? CT1 P1 P2 CT2 -131.38(12) . . . . ? Ga1 P1 P2 CT2 118.24(8) . . . . ? CT1 P1 P2 P3 121.84(9) . . . . ? Ga1 P1 P2 P3 11.46(3) . . . . ? CT2 P2 P3 CT3 124.60(12) . . . . ? P1 P2 P3 CT3 -130.48(8) . . . . ? CT2 P2 P3 Ga1 -116.33(9) . . . . ? P1 P2 P3 Ga1 -11.41(3) . . . . ? C1 Ga1 P3 CT3 -93.06(13) . . . . ? P1 Ga1 P3 CT3 111.46(10) . . . . ? C1 Ga1 P3 P2 166.09(9) . . . . ? P1 Ga1 P3 P2 10.61(3) . . . . ? P1 Ga1 C1 Si2 -154.32(6) . . . . ? P3 Ga1 C1 Si2 59.65(13) . . . . ? P1 Ga1 C1 Si3 -34.01(16) . . . . ? P3 Ga1 C1 Si3 179.95(5) . . . . ? P1 Ga1 C1 Si1 87.23(12) . . . . ? P3 Ga1 C1 Si1 -58.80(15) . . . . ? Si2 C1 Si1 C11 -76.91(17) . . . . ? Si3 C1 Si1 C11 157.50(16) . . . . ? Ga1 C1 Si1 C11 36.52(18) . . . . ? Si2 C1 Si1 C12 45.20(17) . . . . ? Si3 C1 Si1 C12 -80.40(16) . . . . ? Ga1 C1 Si1 C12 158.62(13) . . . . ? Si2 C1 Si1 C13 165.33(14) . . . . ? Si3 C1 Si1 C13 39.73(17) . . . . ? Ga1 C1 Si1 C13 -81.25(16) . . . . ? Si3 C1 Si2 C23 162.92(14) . . . . ? Si1 C1 Si2 C23 37.79(17) . . . . ? Ga1 C1 Si2 C23 -77.62(15) . . . . ? Si3 C1 Si2 C21 41.63(18) . . . . ? Si1 C1 Si2 C21 -83.51(16) . . . . ? Ga1 C1 Si2 C21 161.08(13) . . . . ? Si3 C1 Si2 C22 -77.96(15) . . . . ? Si1 C1 Si2 C22 156.90(13) . . . . ? Ga1 C1 Si2 C22 41.49(15) . . . . ? Si2 C1 Si3 C31 45.50(17) . . . . ? Si1 C1 Si3 C31 170.98(14) . . . . ? Ga1 C1 Si3 C31 -70.02(16) . . . . ? Si2 C1 Si3 C32 166.36(13) . . . . ? Si1 C1 Si3 C32 -68.17(16) . . . . ? Ga1 C1 Si3 C32 50.83(17) . . . . ? Si2 C1 Si3 C33 -74.33(18) . . . . ? Si1 C1 Si3 C33 51.14(18) . . . . ? Ga1 C1 Si3 C33 170.14(15) . . . . ? P2 P1 CT1 CT21 -53.5(2) . . . . ? Ga1 P1 CT1 CT21 35.1(2) . . . . ? P2 P1 CT1 CT13 -176.70(19) . . . . ? Ga1 P1 CT1 CT13 -88.1(2) . . . . ? P2 P1 CT1 CT12 67.7(2) . . . . ? Ga1 P1 CT1 CT12 156.28(19) . . . . ? P3 P2 CT2 CT11 173.35(17) . . . . ? P1 P2 CT2 CT11 71.52(18) . . . . ? P3 P2 CT2 CT22 51.5(2) . . . . ? P1 P2 CT2 CT22 -50.3(2) . . . . ? P3 P2 CT2 CT23 -69.44(17) . . . . ? P1 P2 CT2 CT23 -171.27(16) . . . . ? P2 P3 CT3 CT31 48.8(2) . . . . ? Ga1 P3 CT3 CT31 -41.9(2) . . . . ? P2 P3 CT3 CT33 -72.31(19) . . . . ? Ga1 P3 CT3 CT33 -162.94(16) . . . . ? P2 P3 CT3 CT32 171.56(17) . . . . ? Ga1 P3 CT3 CT32 80.93(19) . . . . ? C2 Ga2 P4 CT4 -95.60(13) . . . . ? P6 Ga2 P4 CT4 110.14(10) . . . . ? C2 Ga2 P4 P5 164.42(9) . . . . ? P6 Ga2 P4 P5 10.16(3) . . . . ? CT4 P4 P5 CT5 131.71(12) . . . . ? Ga2 P4 P5 CT5 -116.25(8) . . . . ? CT4 P4 P5 P6 -122.93(9) . . . . ? Ga2 P4 P5 P6 -10.89(3) . . . . ? CT5 P5 P6 CT6 -126.69(12) . . . . ? P4 P5 P6 CT6 129.13(8) . . . . ? CT5 P5 P6 Ga2 115.13(9) . . . . ? P4 P5 P6 Ga2 10.94(3) . . . . ? C2 Ga2 P6 CT6 93.92(13) . . . . ? P4 Ga2 P6 CT6 -111.54(9) . . . . ? C2 Ga2 P6 P5 -164.70(9) . . . . ? P4 Ga2 P6 P5 -10.16(3) . . . . ? P6 Ga2 C2 Si5 -63.39(13) . . . . ? P4 Ga2 C2 Si5 151.98(6) . . . . ? P6 Ga2 C2 Si6 176.91(5) . . . . ? P4 Ga2 C2 Si6 32.28(16) . . . . ? P6 Ga2 C2 Si4 55.98(15) . . . . ? P4 Ga2 C2 Si4 -88.65(12) . . . . ? Si5 C2 Si4 C42 75.6(2) . . . . ? Si6 C2 Si4 C42 -159.26(18) . . . . ? Ga2 C2 Si4 C42 -39.4(2) . . . . ? Si5 C2 Si4 C43 -165.86(16) . . . . ? Si6 C2 Si4 C43 -40.73(18) . . . . ? Ga2 C2 Si4 C43 79.18(17) . . . . ? Si5 C2 Si4 C41 -46.18(17) . . . . ? Si6 C2 Si4 C41 78.95(17) . . . . ? Ga2 C2 Si4 C41 -161.14(14) . . . . ? Si6 C2 Si5 C52 79.59(15) . . . . ? Si4 C2 Si5 C52 -155.39(13) . . . . ? Ga2 C2 Si5 C52 -38.88(15) . . . . ? Si6 C2 Si5 C51 -161.04(14) . . . . ? Si4 C2 Si5 C51 -36.02(17) . . . . ? Ga2 C2 Si5 C51 80.48(15) . . . . ? Si6 C2 Si5 C53 -40.37(17) . . . . ? Si4 C2 Si5 C53 84.65(16) . . . . ? Ga2 C2 Si5 C53 -158.85(13) . . . . ? Si5 C2 Si6 C62 -45.53(16) . . . . ? Si4 C2 Si6 C62 -170.95(13) . . . . ? Ga2 C2 Si6 C62 70.26(16) . . . . ? Si5 C2 Si6 C61 -165.83(13) . . . . ? Si4 C2 Si6 C61 68.75(16) . . . . ? Ga2 C2 Si6 C61 -50.04(16) . . . . ? Si5 C2 Si6 C63 75.49(17) . . . . ? Si4 C2 Si6 C63 -49.93(17) . . . . ? Ga2 C2 Si6 C63 -168.72(13) . . . . ? P5 P4 CT4 CT41 56.8(2) . . . . ? Ga2 P4 CT4 CT41 -31.9(2) . . . . ? P5 P4 CT4 CT42 -65.1(2) . . . . ? Ga2 P4 CT4 CT42 -153.8(2) . . . . ? P5 P4 CT4 CT43 177.54(19) . . . . ? Ga2 P4 CT4 CT43 88.9(2) . . . . ? P6 P5 CT5 CT52 -52.9(2) . . . . ? P4 P5 CT5 CT52 48.5(2) . . . . ? P6 P5 CT5 CT53 -173.79(18) . . . . ? P4 P5 CT5 CT53 -72.40(19) . . . . ? P6 P5 CT5 CT51 68.83(18) . . . . ? P4 P5 CT5 CT51 170.22(16) . . . . ? P5 P6 CT6 CT63 -49.23(19) . . . . ? Ga2 P6 CT6 CT63 41.6(2) . . . . ? P5 P6 CT6 CT62 -172.36(15) . . . . ? Ga2 P6 CT6 CT62 -81.52(18) . . . . ? P5 P6 CT6 CT61 71.77(18) . . . . ? Ga2 P6 CT6 CT61 162.61(15) . . . . ? _diffrn_measured_fraction_theta_max 0.924 _diffrn_reflns_theta_full 26.03 _diffrn_measured_fraction_theta_full 0.924 _refine_diff_density_max 0.429 _refine_diff_density_min -0.357 _refine_diff_density_rms 0.058