#------------------------------------------------------------------------------
#$Date: 2016-04-03 23:56:55 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181331 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/64/4086445.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4086445
loop_
_publ_author_name
'Uhl, Werner'
'Fick, Anna-Christina'
'Spies, Thomas'
'Geiseler, Gertraud'
'Harms, Klaus'
_publ_section_title
;
 Gallium--Gallium Bonds as Key Building Blocks for the Formation of Large
 Organometallic Macrocycles, on the Way to a Mesoporous Molecule
;
_journal_coden_ASTM              ORGND7
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              72
_journal_page_last               75
_journal_paper_doi               10.1021/om0306170
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C76 H88 F4 Ga4 O8 Si8'
_chemical_formula_weight         1709.06
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.266(6)
_cell_angle_beta                 105.679(6)
_cell_angle_gamma                107.488(6)
_cell_formula_units_Z            2
_cell_length_a                   14.1240(10)
_cell_length_b                   17.8050(10)
_cell_length_c                   20.020(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4603.0(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0622
_diffrn_reflns_av_sigmaI/netI    0.0601
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            54648
_diffrn_reflns_theta_full        26.18
_diffrn_reflns_theta_max         26.18
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    1.315
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.009
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.296
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     713
_refine_ls_number_reflns         17938
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.322
_refine_ls_R_factor_all          0.1056
_refine_ls_R_factor_gt           0.0725
_refine_ls_shift/su_max          0.485
_refine_ls_shift/su_mean         0.014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2082
_refine_ls_wR_factor_ref         0.2198
_reflns_number_gt                11291
_reflns_number_total             17938
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0306170.cif
_cod_data_source_block           C152H176F8Ga8O16Si16
_cod_original_cell_volume        4603.0(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4086445
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Ga1 Ga 0.36742(5) 0.50374(4) 0.22414(3) 0.04267(17) Uani 1 1 d . . .
Ga2 Ga 0.21699(5) 0.48066(4) 0.26449(3) 0.04485(17) Uani 1 1 d . . .
Ga3 Ga 0.45627(5) -0.20186(4) 0.33767(4) 0.0539(2) Uani 1 1 d . . .
Ga4 Ga 0.31147(5) -0.21963(4) 0.38262(3) 0.05226(19) Uani 1 1 d . . .
C1 C 0.5113(4) 0.5541(4) 0.2218(3) 0.0483(14) Uani 1 1 d . . .
H1 H 0.5258 0.6093 0.2347 0.058 Uiso 1 1 calc R . .
Si1 Si 0.52655(14) 0.54942(12) 0.13270(9) 0.0558(4) Uani 1 1 d . . .
C11 C 0.6669(6) 0.5885(6) 0.1329(4) 0.079(2) Uani 1 1 d . . .
H11A H 0.6971 0.6413 0.1557 0.095 Uiso 1 1 calc R . .
H11B H 0.6709 0.5892 0.0858 0.095 Uiso 1 1 calc R . .
H11C H 0.7039 0.5550 0.1573 0.095 Uiso 1 1 calc R . .
C12 C 0.4565(6) 0.6127(5) 0.0779(4) 0.075(2) Uani 1 1 d . . .
H12A H 0.3851 0.5953 0.0777 0.089 Uiso 1 1 calc R . .
H12B H 0.4608 0.6081 0.0311 0.089 Uiso 1 1 calc R . .
H12C H 0.4878 0.6669 0.0970 0.089 Uiso 1 1 calc R . .
C13 C 0.4725(6) 0.4453(5) 0.0912(4) 0.072(2) Uani 1 1 d . . .
H13A H 0.5174 0.4157 0.1127 0.087 Uiso 1 1 calc R . .
H13B H 0.4673 0.4454 0.0423 0.087 Uiso 1 1 calc R . .
H13C H 0.4050 0.4214 0.0971 0.087 Uiso 1 1 calc R . .
Si2 Si 0.60345(14) 0.52113(13) 0.29309(9) 0.0592(5) Uani 1 1 d . . .
C21 C 0.5541(7) 0.5018(6) 0.3715(4) 0.087(3) Uani 1 1 d . . .
H21A H 0.6070 0.4933 0.4095 0.104 Uiso 1 1 calc R . .
H21B H 0.4940 0.4557 0.3607 0.104 Uiso 1 1 calc R . .
H21C H 0.5361 0.5465 0.3844 0.104 Uiso 1 1 calc R . .
C22 C 0.7327(6) 0.6003(6) 0.3229(4) 0.084(2) Uani 1 1 d . . .
H22A H 0.7726 0.5884 0.3661 0.101 Uiso 1 1 calc R . .
H22B H 0.7225 0.6505 0.3295 0.101 Uiso 1 1 calc R . .
H22C H 0.7689 0.6026 0.2883 0.101 Uiso 1 1 calc R . .
C23 C 0.6235(6) 0.4290(5) 0.2649(4) 0.075(2) Uani 1 1 d . . .
H23A H 0.6523 0.4380 0.2262 0.090 Uiso 1 1 calc R . .
H23B H 0.5583 0.3876 0.2509 0.090 Uiso 1 1 calc R . .
H23C H 0.6701 0.4139 0.3028 0.090 Uiso 1 1 calc R . .
C2 C 0.1319(5) 0.4949(4) 0.3229(3) 0.0538(15) Uani 1 1 d . . .
H2 H 0.1315 0.5485 0.3190 0.065 Uiso 1 1 calc R . .
Si3 Si 0.20179(16) 0.49330(12) 0.41603(9) 0.0593(5) Uani 1 1 d . . .
C31 C 0.1458(8) 0.5306(5) 0.4786(4) 0.086(3) Uani 1 1 d . . .
H31A H 0.0873 0.4892 0.4840 0.103 Uiso 1 1 calc R . .
H31B H 0.1242 0.5747 0.4611 0.103 Uiso 1 1 calc R . .
H31C H 0.1972 0.5471 0.5229 0.103 Uiso 1 1 calc R . .
C32 C 0.2004(8) 0.3921(6) 0.4368(4) 0.089(3) Uani 1 1 d . . .
H32A H 0.2373 0.3731 0.4102 0.107 Uiso 1 1 calc R . .
H32B H 0.1302 0.3578 0.4254 0.107 Uiso 1 1 calc R . .
H32C H 0.2332 0.3926 0.4856 0.107 Uiso 1 1 calc R . .
C33 C 0.3384(6) 0.5609(6) 0.4323(4) 0.087(3) Uani 1 1 d . . .
H33A H 0.3696 0.5743 0.4815 0.104 Uiso 1 1 calc R . .
H33B H 0.3377 0.6082 0.4096 0.104 Uiso 1 1 calc R . .
H33C H 0.3776 0.5347 0.4140 0.104 Uiso 1 1 calc R . .
Si4 Si -0.00816(15) 0.43381(14) 0.28949(11) 0.0641(5) Uani 1 1 d . . .
C41 C -0.0217(7) 0.3311(6) 0.2587(7) 0.110(4) Uani 1 1 d . . .
H41A H 0.0105 0.3063 0.2968 0.132 Uiso 1 1 calc R . .
H41B H 0.0112 0.3328 0.2223 0.132 Uiso 1 1 calc R . .
H41C H -0.0938 0.3014 0.2411 0.132 Uiso 1 1 calc R . .
C42 C -0.0749(6) 0.4784(6) 0.2149(4) 0.085(3) Uani 1 1 d . . .
H42A H -0.1476 0.4496 0.2006 0.102 Uiso 1 1 calc R . .
H42B H -0.0465 0.4762 0.1767 0.102 Uiso 1 1 calc R . .
H42C H -0.0652 0.5326 0.2287 0.102 Uiso 1 1 calc R . .
C43 C -0.0827(7) 0.4266(7) 0.3537(5) 0.103(3) Uani 1 1 d . . .
H43A H -0.1537 0.3963 0.3323 0.124 Uiso 1 1 calc R . .
H43B H -0.0789 0.4787 0.3696 0.124 Uiso 1 1 calc R . .
H43C H -0.0541 0.4011 0.3927 0.124 Uiso 1 1 calc R . .
C3 C 0.5953(5) -0.2014(4) 0.3349(4) 0.0641(18) Uani 1 1 d . . .
H3 H 0.5872 -0.2548 0.3199 0.077 Uiso 1 1 calc R . .
Si5 Si 0.67899(16) -0.18378(14) 0.42707(13) 0.0782(7) Uani 1 1 d . . .
C51 C 0.8177(7) -0.1672(8) 0.4330(6) 0.116(4) Uani 1 1 d . . .
H51A H 0.8236 -0.2096 0.4063 0.139 Uiso 1 1 calc R . .
H51B H 0.8562 -0.1654 0.4808 0.139 Uiso 1 1 calc R . .
H51C H 0.8448 -0.1179 0.4149 0.139 Uiso 1 1 calc R . .
C52 C 0.6700(7) -0.0968(6) 0.4724(5) 0.090(3) Uani 1 1 d . . .
H52A H 0.7026 -0.0496 0.4537 0.108 Uiso 1 1 calc R . .
H52B H 0.7041 -0.0939 0.5213 0.108 Uiso 1 1 calc R . .
H52C H 0.5985 -0.1015 0.4659 0.108 Uiso 1 1 calc R . .
C53 C 0.6352(9) -0.2714(6) 0.4739(5) 0.109(4) Uani 1 1 d . . .
H53A H 0.5626 -0.2833 0.4690 0.131 Uiso 1 1 calc R . .
H53B H 0.6731 -0.2604 0.5224 0.131 Uiso 1 1 calc R . .
H53C H 0.6473 -0.3160 0.4545 0.131 Uiso 1 1 calc R . .
Si6 Si 0.64266(17) -0.13998(15) 0.26742(14) 0.0773(6) Uani 1 1 d . . .
C61 C 0.6962(7) -0.0330(6) 0.2996(6) 0.095(3) Uani 1 1 d . . .
H61A H 0.6458 -0.0173 0.3152 0.114 Uiso 1 1 calc R . .
H61B H 0.7126 -0.0023 0.2626 0.114 Uiso 1 1 calc R . .
H61C H 0.7578 -0.0243 0.3377 0.114 Uiso 1 1 calc R . .
C62 C 0.5379(7) -0.1515(7) 0.1853(5) 0.097(3) Uani 1 1 d . . .
H62A H 0.4820 -0.1374 0.1949 0.117 Uiso 1 1 calc R . .
H62B H 0.5132 -0.2054 0.1656 0.117 Uiso 1 1 calc R . .
H62C H 0.5642 -0.1175 0.1530 0.117 Uiso 1 1 calc R . .
C63 C 0.7450(8) -0.1736(7) 0.2447(7) 0.110(3) Uani 1 1 d . . .
H63A H 0.7609 -0.1485 0.2051 0.132 Uiso 1 1 calc R . .
H63B H 0.7200 -0.2300 0.2339 0.132 Uiso 1 1 calc R . .
H63C H 0.8062 -0.1597 0.2836 0.132 Uiso 1 1 calc R . .
C4 C 0.2347(5) -0.2428(4) 0.4519(3) 0.0566(16) Uani 1 1 d . . .
H4 H 0.2171 -0.2991 0.4534 0.068 Uiso 1 1 calc R . .
Si7 Si 0.32858(17) -0.20061(14) 0.54002(10) 0.0698(5) Uani 1 1 d . . .
C71 C 0.2667(9) -0.2023(7) 0.6113(4) 0.114(4) Uani 1 1 d . . .
H71A H 0.3190 -0.1793 0.6541 0.137 Uiso 1 1 calc R . .
H71B H 0.2303 -0.2559 0.6163 0.137 Uiso 1 1 calc R . .
H71C H 0.2189 -0.1725 0.6002 0.137 Uiso 1 1 calc R . .
C72 C 0.4043(6) -0.0954(5) 0.5347(4) 0.084(2) Uani 1 1 d . . .
H72A H 0.4560 -0.0945 0.5116 0.100 Uiso 1 1 calc R . .
H72B H 0.4373 -0.0692 0.5808 0.100 Uiso 1 1 calc R . .
H72C H 0.3584 -0.0686 0.5089 0.100 Uiso 1 1 calc R . .
C73 C 0.4182(8) -0.2606(6) 0.5662(5) 0.106(4) Uani 1 1 d . . .
H73A H 0.4447 -0.2683 0.5282 0.127 Uiso 1 1 calc R . .
H73B H 0.3814 -0.3110 0.5781 0.127 Uiso 1 1 calc R . .
H73C H 0.4746 -0.2334 0.6058 0.127 Uiso 1 1 calc R . .
Si8 Si 0.10771(15) -0.22301(13) 0.42884(11) 0.0642(5) Uani 1 1 d . . .
C81 C 0.0209(7) -0.2850(6) 0.4773(5) 0.088(3) Uani 1 1 d . . .
H81A H 0.0168 -0.3394 0.4703 0.105 Uiso 1 1 calc R . .
H81B H -0.0470 -0.2799 0.4604 0.105 Uiso 1 1 calc R . .
H81C H 0.0484 -0.2676 0.5261 0.105 Uiso 1 1 calc R . .
C82 C 0.1250(7) -0.1172(5) 0.4527(6) 0.094(3) Uani 1 1 d . . .
H82A H 0.1869 -0.0958 0.4905 0.113 Uiso 1 1 calc R . .
H82B H 0.0665 -0.1137 0.4667 0.113 Uiso 1 1 calc R . .
H82C H 0.1306 -0.0876 0.4132 0.113 Uiso 1 1 calc R . .
C83 C 0.0379(7) -0.2467(7) 0.3347(5) 0.098(3) Uani 1 1 d . . .
H83A H 0.0800 -0.2158 0.3079 0.118 Uiso 1 1 calc R . .
H83B H -0.0260 -0.2346 0.3253 0.118 Uiso 1 1 calc R . .
H83C H 0.0235 -0.3019 0.3221 0.118 Uiso 1 1 calc R . .
O1 O 0.2711(3) 0.4754(3) 0.12682(19) 0.0503(10) Uani 1 1 d . . .
O2 O 0.3577(3) 0.3887(2) 0.23339(19) 0.0477(9) Uani 1 1 d . . .
O3 O 0.1300(3) 0.4539(3) 0.1649(2) 0.0553(11) Uani 1 1 d . . .
O4 O 0.2208(3) 0.3690(3) 0.2761(2) 0.0529(10) Uani 1 1 d . . .
O5 O 0.4402(3) -0.0977(3) 0.3077(2) 0.0574(11) Uani 1 1 d . . .
O6 O 0.3018(3) -0.1154(3) 0.3481(2) 0.0571(11) Uani 1 1 d . . .
O7 O 0.3585(3) -0.2626(3) 0.2486(2) 0.0657(12) Uani 1 1 d . . .
O8 O 0.2218(3) -0.2817(3) 0.2906(2) 0.0595(11) Uani 1 1 d . . .
C011 C 0.1742(5) 0.4550(4) 0.1176(3) 0.0494(14) Uani 1 1 d . . .
C012 C 0.1058(5) 0.4283(4) 0.0448(3) 0.0508(14) Uani 1 1 d . . .
C013 C 0.1501(5) 0.4231(5) -0.0102(3) 0.0583(17) Uani 1 1 d . . .
H013 H 0.2240 0.4385 -0.0009 0.070 Uiso 1 1 calc R . .
C014 C 0.0882(5) 0.3964(5) -0.0758(3) 0.0617(18) Uani 1 1 d . . .
H014 H 0.1188 0.3923 -0.1124 0.074 Uiso 1 1 calc R . .
C015 C -0.0211(5) 0.3744(4) -0.0910(3) 0.0518(14) Uani 1 1 d . . .
C016 C -0.0660(5) 0.3820(4) -0.0381(3) 0.0540(15) Uani 1 1 d . . .
C017 C 0.0013(5) 0.4085(4) 0.0317(3) 0.0537(15) Uani 1 1 d . . .
H017 H -0.0280 0.4122 0.0692 0.064 Uiso 1 1 calc R . .
C021 C 0.2627(5) -0.2868(4) 0.2427(4) 0.0583(16) Uani 1 1 d . . .
C022 C -0.1928(5) 0.3229(4) -0.1718(3) 0.0536(15) Uani 1 1 d . . .
C023 C -0.2363(5) 0.3308(5) -0.1181(4) 0.0661(19) Uani 1 1 d . . .
H023 H -0.3103 0.3152 -0.1278 0.079 Uiso 1 1 calc R . .
C024 C -0.1750(5) 0.3604(5) -0.0517(4) 0.0644(18) Uani 1 1 d . . .
H024 H -0.2054 0.3663 -0.0154 0.077 Uiso 1 1 calc R . .
C025 C -0.0885(5) 0.3454(4) -0.1594(3) 0.0562(15) Uani 1 1 d . . .
H025 H -0.0596 0.3417 -0.1970 0.067 Uiso 1 1 calc R . .
C031 C 0.2903(5) 0.3466(4) 0.2608(3) 0.0469(13) Uani 1 1 d . . .
C032 C 0.2920(5) 0.2658(4) 0.2757(3) 0.0494(14) Uani 1 1 d . . .
C033 C 0.2249(5) 0.2202(4) 0.3131(3) 0.0559(15) Uani 1 1 d . . .
H033 H 0.1785 0.2418 0.3280 0.067 Uiso 1 1 calc R . .
C034 C 0.2270(5) 0.1463(4) 0.3275(4) 0.0594(16) Uani 1 1 d . . .
H034 H 0.1816 0.1162 0.3526 0.071 Uiso 1 1 calc R . .
C035 C 0.2938(4) 0.1124(4) 0.3068(3) 0.0467(13) Uani 1 1 d . . .
C036 C 0.3617(5) 0.1581(4) 0.2693(3) 0.0499(14) Uani 1 1 d . . .
C037 C 0.3595(5) 0.2346(4) 0.2545(3) 0.0488(13) Uani 1 1 d . . .
H037 H 0.4048 0.2655 0.2296 0.059 Uiso 1 1 calc R . .
C041 C 0.3689(5) -0.0747(4) 0.3211(3) 0.0528(15) Uani 1 1 d . . .
C042 C 0.3649(5) 0.0055(4) 0.3019(3) 0.0515(14) Uani 1 1 d . . .
C043 C 0.4312(5) 0.0493(4) 0.2649(4) 0.0590(16) Uani 1 1 d . . .
H043 H 0.4783 0.0273 0.2513 0.071 Uiso 1 1 calc R . .
C044 C 0.4288(5) 0.1240(4) 0.2479(3) 0.0600(16) Uani 1 1 d . . .
H044 H 0.4729 0.1530 0.2215 0.072 Uiso 1 1 calc R . .
C045 C 0.3004(3) 0.0383(3) 0.3221(2) 0.0516(14) Uani 1 1 d . . .
H045 H 0.2571 0.0083 0.3485 0.062 Uiso 1 1 calc R . .
CB1 C 0.6610(3) 0.1603(3) 0.1735(2) 0.182(7) Uiso 1 1 d RD A 1
CB2 C 0.6638(3) 0.2281(3) 0.1664(2) 0.187(7) Uiso 1 1 d RD A 1
CB3 C 0.6212(3) 0.2541(3) 0.1133(2) 0.236(10) Uiso 1 1 d RD A 1
CB4 C 0.5612(3) 0.2083(3) 0.0496(2) 0.308(15) Uiso 1 1 d RD A 1
CB5 C 0.5376(3) 0.1254(3) 0.0620(2) 0.347(18) Uiso 1 1 d RD A 1
CB6 C 0.6019(3) 0.1009(3) 0.1218(2) 0.233(10) Uiso 1 1 d RD A 1
CB7 C -0.0029(3) -0.0070(3) 0.3267(2) 0.181(7) Uiso 1 1 d RD B 2
CB8 C -0.0111(3) 0.0296(3) 0.3705(2) 0.185(7) Uiso 1 1 d RD B 2
CB9 C -0.0337(3) 0.0900(3) 0.3688(2) 0.267(12) Uiso 1 1 d RD B 2
CB10 C -0.0571(3) 0.1244(3) 0.3086(2) 0.195(7) Uiso 1 1 d RD B 2
CB11 C -0.0596(3) 0.0949(3) 0.2552(2) 0.197(8) Uiso 1 1 d RD B 2
CB12 C -0.0223(3) 0.0014(3) 0.2541(2) 0.216(9) Uiso 1 1 d RD B 2
CB13 C 0.2186(18) 0.2323(13) 0.0730(13) 0.270(12) Uiso 1 1 d G C 3
CB14 C 0.1695(18) 0.1481(18) 0.1023(12) 0.40(2) Uiso 1 1 d G C 3
CB15 C 0.1749(18) 0.0661(14) 0.0688(14) 0.300(14) Uiso 1 1 d G C 3
CB16 C 0.229(2) 0.0682(15) 0.0062(14) 0.344 Uiso 1 1 d G C 3
CB17 C 0.2786(19) 0.1524(19) -0.0230(12) 0.367 Uiso 1 1 d G C 3
CB18 C 0.2732(16) 0.2344(14) 0.0104(13) 0.291(13) Uiso 1 1 d G C 3
CB19 C -0.0946(9) 0.1818(7) -0.0255(7) 0.43(2) Uiso 1 1 d G D 4
CB20 C -0.0231(9) 0.1857(7) -0.0632(6) 0.312(15) Uiso 1 1 d G D 4
CB21 C -0.0579(10) 0.1582(8) -0.1341(7) 0.302 Uiso 1 1 d G D 4
CB22 C -0.1644(11) 0.1268(9) -0.1673(7) 0.271(12) Uiso 1 1 d G D 4
CB23 C -0.2360(11) 0.1228(8) -0.1296(7) 0.245(10) Uiso 1 1 d G D 4
CB24 C -0.2011(10) 0.1503(7) -0.0587(7) 0.339 Uiso 1 1 d G D 4
F1A F 0.6951(15) 0.2651(13) 0.2078(10) 0.36(2) Uiso 0.50 1 d PG . .
F2A F 0.6586(14) 0.3236(12) 0.0920(11) 0.332(17) Uiso 0.50 1 d PG . .
F1B F 0.4870(13) 0.0760(12) 0.0024(9) 0.37(2) Uiso 0.50 1 d PG . .
F2B F 0.5786(15) 0.0306(12) 0.1094(10) 0.335(17) Uiso 0.50 1 d PG . .
F3 F -0.0833(10) 0.1027(10) 0.1920(7) 0.368(10) Uiso 1 1 d G . .
F4 F -0.0457(10) -0.0141(10) 0.1966(8) 0.436(13) Uiso 1 1 d G . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C1 Ga1 O1 110.54(19) . .
C1 Ga1 O2 103.6(2) . .
O1 Ga1 O2 90.29(17) . .
C1 Ga1 Ga2 157.70(17) . .
O1 Ga1 Ga2 87.49(11) . .
O2 Ga1 Ga2 88.81(11) . .
C2 Ga2 O3 109.5(2) . .
C2 Ga2 O4 103.9(2) . .
O3 Ga2 O4 93.09(19) . .
C2 Ga2 Ga1 158.1(2) . .
O3 Ga2 Ga1 88.36(12) . .
O4 Ga2 Ga1 87.12(11) . .
C3 Ga3 O7 105.4(2) . .
C3 Ga3 O5 107.2(3) . .
O7 Ga3 O5 93.5(2) . .
C3 Ga3 Ga4 158.3(2) . .
O7 Ga3 Ga4 88.60(14) . .
O5 Ga3 Ga4 87.98(13) . .
C4 Ga4 O6 107.1(2) . .
C4 Ga4 O8 109.3(2) . .
O6 Ga4 O8 93.31(19) . .
C4 Ga4 Ga3 156.31(19) . .
O6 Ga4 Ga3 88.10(13) . .
O8 Ga4 Ga3 87.32(14) . .
Si1 C1 Si2 117.3(3) . .
Si1 C1 Ga1 112.9(3) . .
Si2 C1 Ga1 110.3(3) . .
Si1 C1 H1 105.0 . .
Si2 C1 H1 105.0 . .
Ga1 C1 H1 105.0 . .
C1 Si1 C13 110.9(3) . .
C1 Si1 C12 109.2(3) . .
C13 Si1 C12 109.3(4) . .
C1 Si1 C11 112.2(3) . .
C13 Si1 C11 108.0(4) . .
C12 Si1 C11 107.2(4) . .
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 107.5(4) . .
C23 Si2 C1 112.1(3) . .
C21 Si2 C1 111.1(3) . .
C23 Si2 C22 108.6(4) . .
C21 Si2 C22 106.6(4) . .
C1 Si2 C22 110.7(4) . .
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 . .
Si3 C2 Si4 118.7(3) . .
Si3 C2 Ga2 109.1(3) . .
Si4 C2 Ga2 114.0(3) . .
Si3 C2 H2 104.5 . .
Si4 C2 H2 104.5 . .
Ga2 C2 H2 104.5 . .
C32 Si3 C31 106.5(4) . .
C32 Si3 C2 111.4(3) . .
C31 Si3 C2 113.6(4) . .
C32 Si3 C33 110.8(5) . .
C31 Si3 C33 106.7(4) . .
C2 Si3 C33 107.7(3) . .
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 . .
C43 Si4 C42 105.5(4) . .
C43 Si4 C41 107.6(5) . .
C42 Si4 C41 107.9(5) . .
C43 Si4 C2 114.5(4) . .
C42 Si4 C2 110.0(4) . .
C41 Si4 C2 111.1(4) . .
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 . .
Si5 C3 Si6 119.4(4) . .
Si5 C3 Ga3 106.8(4) . .
Si6 C3 Ga3 113.5(4) . .
Si5 C3 H3 105.3 . .
Si6 C3 H3 105.3 . .
Ga3 C3 H3 105.3 . .
C52 Si5 C53 108.3(5) . .
C52 Si5 C51 108.0(5) . .
C53 Si5 C51 108.0(6) . .
C52 Si5 C3 110.9(4) . .
C53 Si5 C3 109.3(4) . .
C51 Si5 C3 112.3(5) . .
Si5 C51 H51A 109.5 . .
Si5 C51 H51B 109.4 . .
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 108.0(5) . .
C62 Si6 C3 111.9(4) . .
C61 Si6 C3 111.0(4) . .
C62 Si6 C63 106.5(5) . .
C61 Si6 C63 109.8(5) . .
C3 Si6 C63 109.5(5) . .
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 . .
Si8 C4 Si7 117.8(4) . .
Si8 C4 Ga4 115.7(3) . .
Si7 C4 Ga4 107.8(3) . .
Si8 C4 H4 104.7 . .
Si7 C4 H4 104.7 . .
Ga4 C4 H4 104.7 . .
C71 Si7 C73 105.9(5) . .
C71 Si7 C72 108.2(5) . .
C73 Si7 C72 109.9(5) . .
C71 Si7 C4 114.3(4) . .
C73 Si7 C4 109.2(4) . .
C72 Si7 C4 109.2(3) . .
Si7 C71 H71A 109.5 . .
Si7 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
Si7 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
Si7 C72 H72A 109.5 . .
Si7 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
Si7 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
Si7 C73 H73A 109.5 . .
Si7 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
Si7 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
C83 Si8 C82 108.1(5) . .
C83 Si8 C4 112.6(4) . .
C82 Si8 C4 111.2(4) . .
C83 Si8 C81 106.9(4) . .
C82 Si8 C81 107.5(5) . .
C4 Si8 C81 110.2(4) . .
Si8 C81 H81A 109.5 . .
Si8 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
Si8 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
Si8 C82 H82A 109.5 . .
Si8 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
Si8 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
Si8 C83 H83A 109.5 . .
Si8 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
Si8 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
C011 O1 Ga1 119.5(3) . .
C031 O2 Ga1 118.3(4) . .
C011 O3 Ga2 118.9(4) . .
C031 O4 Ga2 120.8(4) . .
C041 O5 Ga3 119.3(4) . .
C041 O6 Ga4 119.7(4) . .
C021 O7 Ga3 119.0(4) . .
C021 O8 Ga4 119.2(4) . .
O1 C011 O3 125.6(5) . .
O1 C011 C012 117.4(5) . .
O3 C011 C012 117.0(5) . .
C017 C012 C013 120.3(5) . .
C017 C012 C011 119.7(5) . .
C013 C012 C011 120.0(5) . .
C014 C013 C012 120.1(6) . .
C014 C013 H013 119.9 . .
C012 C013 H013 119.9 . .
C013 C014 C015 121.0(6) . .
C013 C014 H014 119.5 . .
C015 C014 H014 119.5 . .
C016 C015 C014 119.7(5) . .
C016 C015 C025 117.8(6) . .
C014 C015 C025 122.4(6) . .
C015 C016 C024 121.0(6) . .
C015 C016 C017 118.3(5) . .
C024 C016 C017 120.6(6) . .
C012 C017 C016 120.5(6) . .
C012 C017 H017 119.8 . .
C016 C017 H017 119.8 . .
O8 C021 O7 125.6(6) . .
O8 C021 C022 118.2(6) . 2
O7 C021 C022 116.2(6) . 2
C025 C022 C023 120.3(6) . .
C025 C022 C021 120.3(6) . 2
C023 C022 C021 119.4(6) . 2
C024 C023 C022 121.2(6) . .
C024 C023 H023 119.4 . .
C022 C023 H023 119.4 . .
C023 C024 C016 118.6(6) . .
C023 C024 H024 120.7 . .
C016 C024 H024 120.7 . .
C022 C025 C015 120.9(6) . .
C022 C025 H025 119.5 . .
C015 C025 H025 119.5 . .
O4 C031 O2 124.6(6) . .
O4 C031 C032 117.2(5) . .
O2 C031 C032 118.2(5) . .
C037 C032 C033 120.1(6) . .
C037 C032 C031 120.4(5) . .
C033 C032 C031 119.6(6) . .
C034 C033 C032 119.7(6) . .
C034 C033 H033 120.1 . .
C032 C033 H033 120.1 . .
C033 C034 C035 122.0(6) . .
C033 C034 H034 119.0 . .
C035 C034 H034 119.0 . .
C045 C035 C034 123.7(5) . .
C045 C035 C036 117.7(5) . .
C034 C035 C036 118.5(6) . .
C037 C036 C044 121.8(6) . .
C037 C036 C035 119.4(5) . .
C044 C036 C035 118.7(6) . .
C032 C037 C036 120.2(6) . .
C032 C037 H037 119.9 . .
C036 C037 H037 119.9 . .
O6 C041 O5 124.6(6) . .
O6 C041 C042 118.3(6) . .
O5 C041 C042 117.1(6) . .
C045 C042 C043 119.1(6) . .
C045 C042 C041 120.8(5) . .
C043 C042 C041 120.1(6) . .
C044 C043 C042 120.2(6) . .
C044 C043 H043 119.9 . .
C042 C043 H043 119.9 . .
C043 C044 C036 120.5(6) . .
C043 C044 H044 119.7 . .
C036 C044 H044 119.7 . .
C042 C045 C035 123.7(5) . .
C042 C045 H045 118.2 . .
C035 C045 H045 118.1 . .
CB2 CB1 CB6 121.5 . .
CB2 CB1 F1A 27.6(6) . .
CB6 CB1 F1A 148.1(6) . .
F1A CB2 CB1 117.0(13) . .
F1A CB2 CB3 115.7(13) . .
CB1 CB2 CB3 126.7 . .
CB2 CB3 F2A 125.7(9) . .
CB2 CB3 CB4 125.1 . .
F2A CB3 CB4 101.7(9) . .
CB2 CB3 F1A 27.7(7) . .
F2A CB3 F1A 104.0(11) . .
CB4 CB3 F1A 152.4(7) . .
CB3 CB4 CB5 108.4 . .
F1B CB5 CB6 121.1(8) . .
F1B CB5 CB4 112.8(8) . .
CB6 CB5 CB4 120.0 . .
F2B CB6 CB1 141.2(10) . .
F2B CB6 CB5 104.0(10) . .
CB1 CB6 CB5 114.6 . .
CB8 CB7 CB12 130.9 . .
CB7 CB8 CB9 129.5 . .
CB8 CB9 CB10 122.1 . .
CB11 CB10 CB9 121.0 . .
CB10 CB11 F3 140.8(8) . .
CB10 CB11 CB12 119.2 . .
F3 CB11 CB12 99.9(8) . .
F4 CB12 CB7 160.7(9) . .
F4 CB12 CB11 99.3(9) . .
CB7 CB12 CB11 97.1 . .
CB14 CB13 CB18 120.0 . .
CB13 CB14 CB15 120.0 . .
CB14 CB15 CB16 120.0 . .
CB17 CB16 CB15 120.0 . .
CB16 CB17 CB18 120.0 . .
CB17 CB18 CB13 120.0 . .
CB20 CB19 CB24 120.0 . .
CB21 CB20 CB19 120.0 . .
CB22 CB21 CB20 120.0 . .
CB21 CB22 CB23 120.0 . .
CB22 CB23 CB24 120.0 . .
CB23 CB24 CB19 120.0 . .
CB2 F1A CB1 35.3(9) . .
CB2 F1A CB3 36.5(8) . .
CB1 F1A CB3 71.7(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga1 C1 1.973(6) .
Ga1 O1 2.012(4) .
Ga1 O2 2.024(4) .
Ga1 Ga2 2.3960(9) .
Ga2 C2 1.954(6) .
Ga2 O3 2.006(4) .
Ga2 O4 2.017(4) .
Ga3 C3 1.977(7) .
Ga3 O7 2.003(4) .
Ga3 O5 2.011(5) .
Ga3 Ga4 2.3878(11) .
Ga4 C4 1.955(7) .
Ga4 O6 2.013(5) .
Ga4 O8 2.024(4) .
C1 Si1 1.859(6) .
C1 Si2 1.880(6) .
C1 H1 0.9600 .
Si1 C13 1.872(8) .
Si1 C12 1.883(8) .
Si1 C11 1.892(7) .
C11 H11A 0.9599 .
C11 H11B 0.9599 .
C11 H11C 0.9599 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 H13A 0.9599 .
C13 H13B 0.9599 .
C13 H13C 0.9599 .
Si2 C23 1.856(9) .
Si2 C21 1.876(8) .
Si2 C22 1.880(8) .
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 .
C2 Si3 1.863(7) .
C2 Si4 1.878(7) .
C2 H2 0.9600 .
Si3 C32 1.847(9) .
Si3 C31 1.865(7) .
Si3 C33 1.881(8) .
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 .
Si4 C43 1.853(8) .
Si4 C42 1.858(8) .
Si4 C41 1.864(11) .
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 .
C3 Si5 1.870(7) .
C3 Si6 1.878(8) .
C3 H3 0.9600 .
Si5 C52 1.846(9) .
Si5 C53 1.856(11) .
Si5 C51 1.862(10) .
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 1.853(10) .
Si6 C61 1.864(9) .
Si6 C63 1.878(9) .
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 .
C4 Si8 1.868(7) .
C4 Si7 1.886(6) .
C4 H4 0.9600 .
Si7 C71 1.860(10) .
Si7 C73 1.865(10) .
Si7 C72 1.877(9) .
C71 H71A 0.9599 .
C71 H71B 0.9599 .
C71 H71C 0.9599 .
C72 H72A 0.9599 .
C72 H72B 0.9599 .
C72 H72C 0.9599 .
C73 H73A 0.9599 .
C73 H73B 0.9599 .
C73 H73C 0.9599 .
Si8 C83 1.855(9) .
Si8 C82 1.868(9) .
Si8 C81 1.872(8) .
C81 H81A 0.9599 .
C81 H81B 0.9599 .
C81 H81C 0.9599 .
C82 H82A 0.9599 .
C82 H82B 0.9599 .
C82 H82C 0.9599 .
C83 H83A 0.9599 .
C83 H83B 0.9599 .
C83 H83C 0.9599 .
O1 C011 1.266(7) .
O2 C031 1.277(7) .
O3 C011 1.264(7) .
O4 C031 1.270(7) .
O5 C041 1.284(8) .
O6 C041 1.257(8) .
O7 C021 1.262(8) .
O8 C021 1.262(8) .
C011 C012 1.497(8) .
C012 C017 1.359(9) .
C012 C013 1.420(9) .
C013 C014 1.356(8) .
C013 H013 0.9600 .
C014 C015 1.418(9) .
C014 H014 0.9600 .
C015 C016 1.397(9) .
C015 C025 1.428(8) .
C016 C024 1.418(9) .
C016 C017 1.446(8) .
C017 H017 0.9600 .
C021 C022 1.502(9) 2
C022 C025 1.356(9) .
C022 C023 1.399(10) .
C022 C021 1.502(9) 2
C023 C024 1.375(9) .
C023 H023 0.9600 .
C024 H024 0.9600 .
C025 H025 0.9600 .
C031 C032 1.475(9) .
C032 C037 1.391(9) .
C032 C033 1.431(9) .
C033 C034 1.355(9) .
C033 H033 0.9600 .
C034 C035 1.406(9) .
C034 H034 0.9600 .
C035 C045 1.381(8) .
C035 C036 1.439(8) .
C036 C037 1.402(9) .
C036 C044 1.420(9) .
C037 H037 0.9600 .
C041 C042 1.494(9) .
C042 C045 1.361(8) .
C042 C043 1.407(9) .
C043 C044 1.381(10) .
C043 H043 0.9600 .
C044 H044 0.9600 .
C045 H045 0.9600 .
CB1 CB2 1.2062 .
CB1 CB6 1.3708 .
CB1 F1A 1.86(2) .
CB2 F1A 0.97(2) .
CB2 CB3 1.2380 .
CB3 F2A 1.31(2) .
CB3 CB4 1.4143 .
CB3 F1A 1.87(2) .
CB4 CB5 1.4505 .
CB5 F1B 1.365(18) .
CB5 CB6 1.4504 .
CB6 F2B 1.20(2) .
CB7 CB8 1.1410 .
CB7 CB12 1.4217 .
CB8 CB9 1.2072 .
CB9 CB10 1.3588 .
CB10 CB11 1.1782 .
CB11 F3 1.237(14) .
CB11 CB12 1.8914 .
CB12 F4 1.118(16) .
CB13 CB14 1.635(12) .
CB13 CB18 1.635(12) .
CB14 CB15 1.635(12) .
CB15 CB16 1.635(12) .
CB16 CB17 1.635(12) .
CB17 CB18 1.635(12) .
CB19 CB20 1.403(3) .
CB19 CB24 1.403(3) .
CB20 CB21 1.403(3) .
CB21 CB22 1.403(3) .
CB22 CB23 1.403(3) .
CB23 CB24 1.403(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
C1 Ga1 Ga2 C2 -0.5(7) . . . .
O1 Ga1 Ga2 C2 -145.5(5) . . . .
O2 Ga1 Ga2 C2 124.2(5) . . . .
C1 Ga1 Ga2 O3 144.9(5) . . . .
O1 Ga1 Ga2 O3 -0.06(19) . . . .
O2 Ga1 Ga2 O3 -90.41(18) . . . .
C1 Ga1 Ga2 O4 -121.9(5) . . . .
O1 Ga1 Ga2 O4 93.12(18) . . . .
O2 Ga1 Ga2 O4 2.77(16) . . . .
C3 Ga3 Ga4 C4 5.5(7) . . . .
O7 Ga3 Ga4 C4 136.7(5) . . . .
O5 Ga3 Ga4 C4 -129.8(5) . . . .
C3 Ga3 Ga4 O6 136.4(6) . . . .
O7 Ga3 Ga4 O6 -92.4(2) . . . .
O5 Ga3 Ga4 O6 1.17(17) . . . .
C3 Ga3 Ga4 O8 -130.2(6) . . . .
O7 Ga3 Ga4 O8 1.0(2) . . . .
O5 Ga3 Ga4 O8 94.58(19) . . . .
O1 Ga1 C1 Si1 -8.8(4) . . . .
O2 Ga1 C1 Si1 86.8(3) . . . .
Ga2 Ga1 C1 Si1 -151.0(2) . . . .
O1 Ga1 C1 Si2 -142.3(3) . . . .
O2 Ga1 C1 Si2 -46.7(3) . . . .
Ga2 Ga1 C1 Si2 75.5(6) . . . .
Si2 C1 Si1 C13 76.7(4) . . . .
Ga1 C1 Si1 C13 -53.3(4) . . . .
Si2 C1 Si1 C12 -162.8(4) . . . .
Ga1 C1 Si1 C12 67.2(5) . . . .
Si2 C1 Si1 C11 -44.1(5) . . . .
Ga1 C1 Si1 C11 -174.1(4) . . . .
Si1 C1 Si2 C23 -43.1(5) . . . .
Ga1 C1 Si2 C23 88.1(4) . . . .
Si1 C1 Si2 C21 -163.5(4) . . . .
Ga1 C1 Si2 C21 -32.3(5) . . . .
Si1 C1 Si2 C22 78.3(5) . . . .
Ga1 C1 Si2 C22 -150.5(4) . . . .
O3 Ga2 C2 Si3 165.3(3) . . . .
O4 Ga2 C2 Si3 66.8(4) . . . .
Ga1 Ga2 C2 Si3 -51.7(7) . . . .
O3 Ga2 C2 Si4 30.0(4) . . . .
O4 Ga2 C2 Si4 -68.4(4) . . . .
Ga1 Ga2 C2 Si4 173.0(2) . . . .
Si4 C2 Si3 C32 58.9(5) . . . .
Ga2 C2 Si3 C32 -74.0(5) . . . .
Si4 C2 Si3 C31 -61.4(5) . . . .
Ga2 C2 Si3 C31 165.7(4) . . . .
Si4 C2 Si3 C33 -179.4(4) . . . .
Ga2 C2 Si3 C33 47.8(5) . . . .
Si3 C2 Si4 C43 34.7(6) . . . .
Ga2 C2 Si4 C43 165.3(4) . . . .
Si3 C2 Si4 C42 153.2(4) . . . .
Ga2 C2 Si4 C42 -76.1(5) . . . .
Si3 C2 Si4 C41 -87.4(6) . . . .
Ga2 C2 Si4 C41 43.3(6) . . . .
O7 Ga3 C3 Si5 -157.4(3) . . . .
O5 Ga3 C3 Si5 103.9(3) . . . .
Ga4 Ga3 C3 Si5 -28.7(8) . . . .
O7 Ga3 C3 Si6 69.0(4) . . . .
O5 Ga3 C3 Si6 -29.8(4) . . . .
Ga4 Ga3 C3 Si6 -162.3(3) . . . .
Si6 C3 Si5 C52 79.5(6) . . . .
Ga3 C3 Si5 C52 -50.8(5) . . . .
Si6 C3 Si5 C53 -161.2(5) . . . .
Ga3 C3 Si5 C53 68.5(5) . . . .
Si6 C3 Si5 C51 -41.4(6) . . . .
Ga3 C3 Si5 C51 -171.8(5) . . . .
Si5 C3 Si6 C62 -167.4(5) . . . .
Ga3 C3 Si6 C62 -40.1(6) . . . .
Si5 C3 Si6 C61 -46.7(5) . . . .
Ga3 C3 Si6 C61 80.6(5) . . . .
Si5 C3 Si6 C63 74.7(6) . . . .
Ga3 C3 Si6 C63 -158.0(5) . . . .
O6 Ga4 C4 Si8 43.1(4) . . . .
O8 Ga4 C4 Si8 -56.8(4) . . . .
Ga3 Ga4 C4 Si8 170.91(18) . . . .
O6 Ga4 C4 Si7 -91.2(3) . . . .
O8 Ga4 C4 Si7 168.9(3) . . . .
Ga3 Ga4 C4 Si7 36.6(7) . . . .
Si8 C4 Si7 C71 37.5(6) . . . .
Ga4 C4 Si7 C71 170.7(5) . . . .
Si8 C4 Si7 C73 155.9(5) . . . .
Ga4 C4 Si7 C73 -70.9(5) . . . .
Si8 C4 Si7 C72 -83.9(5) . . . .
Ga4 C4 Si7 C72 49.3(5) . . . .
Si7 C4 Si8 C83 166.2(5) . . . .
Ga4 C4 Si8 C83 36.6(6) . . . .
Si7 C4 Si8 C82 44.7(5) . . . .
Ga4 C4 Si8 C82 -84.9(5) . . . .
Si7 C4 Si8 C81 -74.5(5) . . . .
Ga4 C4 Si8 C81 155.9(4) . . . .
C1 Ga1 O1 C011 -168.0(5) . . . .
O2 Ga1 O1 C011 87.3(5) . . . .
Ga2 Ga1 O1 C011 -1.5(5) . . . .
C1 Ga1 O2 C031 155.1(4) . . . .
O1 Ga1 O2 C031 -93.7(4) . . . .
Ga2 Ga1 O2 C031 -6.2(4) . . . .
C2 Ga2 O3 C011 168.6(5) . . . .
O4 Ga2 O3 C011 -85.4(5) . . . .
Ga1 Ga2 O3 C011 1.6(5) . . . .
C2 Ga2 O4 C031 -161.1(4) . . . .
O3 Ga2 O4 C031 87.9(4) . . . .
Ga1 Ga2 O4 C031 -0.3(4) . . . .
C3 Ga3 O5 C041 -162.9(5) . . . .
O7 Ga3 O5 C041 89.8(4) . . . .
Ga4 Ga3 O5 C041 1.3(4) . . . .
C4 Ga4 O6 C041 157.3(4) . . . .
O8 Ga4 O6 C041 -91.4(5) . . . .
Ga3 Ga4 O6 C041 -4.2(4) . . . .
C3 Ga3 O7 C021 165.1(6) . . . .
O5 Ga3 O7 C021 -86.0(5) . . . .
Ga4 Ga3 O7 C021 1.9(5) . . . .
C4 Ga4 O8 C021 -166.9(5) . . . .
O6 Ga4 O8 C021 83.7(5) . . . .
Ga3 Ga4 O8 C021 -4.2(5) . . . .
Ga1 O1 C011 O3 3.3(9) . . . .
Ga1 O1 C011 C012 -175.2(4) . . . .
Ga2 O3 C011 O1 -3.4(9) . . . .
Ga2 O3 C011 C012 175.2(4) . . . .
O1 C011 C012 C017 -177.7(6) . . . .
O3 C011 C012 C017 3.6(10) . . . .
O1 C011 C012 C013 2.9(10) . . . .
O3 C011 C012 C013 -175.8(6) . . . .
C017 C012 C013 C014 -1.7(11) . . . .
C011 C012 C013 C014 177.8(7) . . . .
C012 C013 C014 C015 1.0(12) . . . .
C013 C014 C015 C016 1.5(11) . . . .
C013 C014 C015 C025 -179.4(7) . . . .
C014 C015 C016 C024 -179.9(7) . . . .
C025 C015 C016 C024 0.9(10) . . . .
C014 C015 C016 C017 -3.1(10) . . . .
C025 C015 C016 C017 177.8(6) . . . .
C013 C012 C017 C016 0.0(11) . . . .
C011 C012 C017 C016 -179.5(6) . . . .
C015 C016 C017 C012 2.4(10) . . . .
C024 C016 C017 C012 179.2(7) . . . .
Ga4 O8 C021 O7 7.3(10) . . . .
Ga4 O8 C021 C022 -171.4(4) . . . 2
Ga3 O7 C021 O8 -6.1(10) . . . .
Ga3 O7 C021 C022 172.6(4) . . . 2
C025 C022 C023 C024 -0.7(12) . . . .
C021 C022 C023 C024 177.1(7) 2 . . .
C022 C023 C024 C016 -0.9(12) . . . .
C015 C016 C024 C023 0.8(11) . . . .
C017 C016 C024 C023 -176.0(7) . . . .
C023 C022 C025 C015 2.5(11) . . . .
C021 C022 C025 C015 -175.3(6) 2 . . .
C016 C015 C025 C022 -2.6(10) . . . .
C014 C015 C025 C022 178.3(7) . . . .
Ga2 O4 C031 O2 -4.8(8) . . . .
Ga2 O4 C031 C032 175.6(4) . . . .
Ga1 O2 C031 O4 8.0(7) . . . .
Ga1 O2 C031 C032 -172.4(4) . . . .
O4 C031 C032 C037 174.0(5) . . . .
O2 C031 C032 C037 -5.6(8) . . . .
O4 C031 C032 C033 -7.1(8) . . . .
O2 C031 C032 C033 173.3(5) . . . .
C037 C032 C033 C034 -0.4(10) . . . .
C031 C032 C033 C034 -179.3(6) . . . .
C032 C033 C034 C035 0.1(10) . . . .
C033 C034 C035 C045 178.1(6) . . . .
C033 C034 C035 C036 0.1(10) . . . .
C045 C035 C036 C037 -178.1(5) . . . .
C034 C035 C036 C037 -0.1(9) . . . .
C045 C035 C036 C044 2.3(8) . . . .
C034 C035 C036 C044 -179.7(6) . . . .
C033 C032 C037 C036 0.4(9) . . . .
C031 C032 C037 C036 179.4(5) . . . .
C044 C036 C037 C032 179.4(6) . . . .
C035 C036 C037 C032 -0.2(9) . . . .
Ga4 O6 C041 O5 6.7(8) . . . .
Ga4 O6 C041 C042 -174.6(4) . . . .
Ga3 O5 C041 O6 -5.2(8) . . . .
Ga3 O5 C041 C042 176.1(4) . . . .
O6 C041 C042 C045 9.5(8) . . . .
O5 C041 C042 C045 -171.7(5) . . . .
O6 C041 C042 C043 -173.1(6) . . . .
O5 C041 C042 C043 5.7(8) . . . .
C045 C042 C043 C044 -1.6(10) . . . .
C041 C042 C043 C044 -179.0(6) . . . .
C042 C043 C044 C036 1.8(10) . . . .
C037 C036 C044 C043 178.3(6) . . . .
C035 C036 C044 C043 -2.1(10) . . . .
C043 C042 C045 C035 1.9(9) . . . .
C041 C042 C045 C035 179.2(5) . . . .
C034 C035 C045 C042 179.8(6) . . . .
C036 C035 C045 C042 -2.2(8) . . . .
CB6 CB1 CB2 F1A 167.6(13) . . . .
CB6 CB1 CB2 CB3 -4.1 . . . .
F1A CB1 CB2 CB3 -171.7(13) . . . .
F1A CB2 CB3 F2A 43.3(10) . . . .
CB1 CB2 CB3 F2A -144.8(11) . . . .
F1A CB2 CB3 CB4 -172.7(13) . . . .
CB1 CB2 CB3 CB4 -0.8 . . . .
CB1 CB2 CB3 F1A 171.8(13) . . . .
CB2 CB3 CB4 CB5 13.6 . . . .
F2A CB3 CB4 CB5 164.4(9) . . . .
F1A CB3 CB4 CB5 6.3(13) . . . .
CB3 CB4 CB5 F1B -174.9(8) . . . .
CB3 CB4 CB5 CB6 -21.9 . . . .
CB2 CB1 CB6 F2B -179.1(15) . . . .
F1A CB1 CB6 F2B -168(3) . . . .
CB2 CB1 CB6 CB5 -5.2 . . . .
F1A CB1 CB6 CB5 5.6(12) . . . .
F1B CB5 CB6 F2B -14.1(3) . . . .
CB4 CB5 CB6 F2B -164.8(10) . . . .
F1B CB5 CB6 CB1 169.8(9) . . . .
CB4 CB5 CB6 CB1 19.2 . . . .
CB12 CB7 CB8 CB9 -4.7 . . . .
CB7 CB8 CB9 CB10 2.0 . . . .
CB8 CB9 CB10 CB11 2.5 . . . .
CB9 CB10 CB11 F3 173.1(11) . . . .
CB9 CB10 CB11 CB12 -3.7 . . . .
CB8 CB7 CB12 F4 -145(2) . . . .
CB8 CB7 CB12 CB11 2.5 . . . .
CB10 CB11 CB12 F4 171.3(7) . . . .
F3 CB11 CB12 F4 -6.7(3) . . . .
CB10 CB11 CB12 CB7 1.6 . . . .
F3 CB11 CB12 CB7 -176.3(7) . . . .
CB18 CB13 CB14 CB15 0.0 . . . .
CB13 CB14 CB15 CB16 0.0 . . . .
CB14 CB15 CB16 CB17 0.0 . . . .
CB15 CB16 CB17 CB18 0.0 . . . .
CB16 CB17 CB18 CB13 0.0 . . . .
CB14 CB13 CB18 CB17 0.0 . . . .
CB24 CB19 CB20 CB21 0.0 . . . .
CB19 CB20 CB21 CB22 0.0 . . . .
CB20 CB21 CB22 CB23 0.0 . . . .
CB21 CB22 CB23 CB24 0.0 . . . .
CB22 CB23 CB24 CB19 0.0 . . . .
CB20 CB19 CB24 CB23 0.0 . . . .
CB3 CB2 F1A CB1 172.7(12) . . . .
CB1 CB2 F1A CB3 -172.7(12) . . . .
CB6 CB1 F1A CB2 -20(2) . . . .
CB2 CB1 F1A CB3 4.6(7) . . . .
CB6 CB1 F1A CB3 -15.7(14) . . . .
F2A CB3 F1A CB2 -145.0(8) . . . .
CB4 CB3 F1A CB2 13(2) . . . .
CB2 CB3 F1A CB1 -4.5(7) . . . .
F2A CB3 F1A CB1 -149.4(8) . . . .
CB4 CB3 F1A CB1 8.5(16) . . . .
