#------------------------------------------------------------------------------
#$Date: 2019-11-24 05:55:49 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236874 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/76/4087611.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_4087611
loop_
_publ_author_name
'Novikov, Roman A.'
'Potapov, Konstantin V.'
'Chistikov, Daniil N.'
'Tarasova, Anna V.'
'Grigoriev, Michail S.'
'Timofeev, Vladimir P.'
'Tomilov, Yury V.'
_publ_section_title
;
 Synthesis and Structures of Cyclopropanedicarboxylate Gallium Complexes
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4238
_journal_paper_doi               10.1021/acs.organomet.5b00399
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C21 H30 Ga O12, 3(Br4 Ga)'
_chemical_formula_sum            'C21 H30 Br12 Ga4 O12'
_chemical_formula_weight         1712.25
_space_group_crystal_system      tetragonal
_space_group_IT_number           86
_space_group_name_Hall           '-P 4bc'
_space_group_name_H-M_alt        'P 42/n :2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.1557(3)
_cell_length_b                   25.1557(3)
_cell_length_c                   14.7095(4)
_cell_measurement_reflns_used    6111
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.36
_cell_measurement_theta_min      3.23
_cell_volume                     9308.3(3)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1998)'
_computing_data_collection       'APEX2 (Bruker, 2010)'
_computing_data_reduction        'SAINT-Plus (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
'Bruker KAPPA APEX II area-detector diffractometer'
_diffrn_measurement_method       'ω- and φ-scans'
_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  0.1188
_diffrn_reflns_av_unetI/netI     0.0770
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            71568
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         4.131
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.638
_exptl_absorpt_correction_T_max  0.365
_exptl_absorpt_correction_T_min  0.145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.444
_exptl_crystal_description       fragment
_exptl_crystal_F_000             6368
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.539
_refine_diff_density_min         -1.384
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         8160
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0969
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0264P)²+57.5352P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0800
_refine_ls_wR_factor_ref         0.0950
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5277
_reflns_number_total             8160
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om5b00399_si_004.cif
_cod_data_source_block           TOM
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_database_code               4087611
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.116
_shelx_estimated_absorpt_t_max   0.365
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y, x+1/2, z+1/2'
'y+1/2, -x, z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y, -x-1/2, -z-1/2'
'-y-1/2, x, -z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Br1 Br 0.67754(6) 0.72552(5) 0.16362(10) 0.0858(5) Uani 1 1 d . . .
Br2 Br 0.30100(3) 0.30652(4) 0.16059(7) 0.0350(2) Uani 1 1 d . . .
Br3 Br 0.21674(4) 0.68190(3) 0.03236(7) 0.0349(2) Uani 1 1 d . . .
Br4 Br 0.31703(3) 0.71550(3) 0.21466(6) 0.0298(2) Uani 1 1 d . . .
Br5 Br 0.53776(6) 0.53478(5) 0.59657(8) 0.0666(4) Uani 1 1 d . . .
Br6 Br 0.48807(5) 0.48406(4) 0.82427(7) 0.0488(3) Uani 1 1 d . . .
Br7 Br 0.46368(3) 0.62738(3) 0.75271(6) 0.0292(2) Uani 1 1 d . . .
Br8 Br 0.60183(5) 0.57995(4) 0.81478(12) 0.0819(5) Uani 1 1 d . . .
Br9 Br 0.43294(4) 0.79287(4) 0.39065(7) 0.0480(3) Uani 1 1 d . . .
Br10 Br 0.51014(4) 0.70748(4) 0.22932(6) 0.0355(2) Uani 1 1 d . . .
Br11 Br 0.48955(4) 0.66289(4) 0.47525(6) 0.0348(2) Uani 1 1 d . . .
Br12 Br 0.58167(4) 0.77673(4) 0.42395(7) 0.0387(3) Uani 1 1 d . . .
Ga1 Ga 0.26851(3) 0.49326(3) 0.42787(6) 0.0160(2) Uani 1 1 d . . .
Ga2 Ga 0.7500 0.7500 0.2500 0.0354(5) Uani 1 4 d S T P
Ga3 Ga 0.2500 0.2500 0.2500 0.0280(5) Uani 1 4 d S T P
Ga4 Ga 0.2500 0.7500 0.12222(10) 0.0248(3) Uani 1 2 d S T P
Ga5 Ga 0.52269(4) 0.55560(4) 0.74638(7) 0.0295(3) Uani 1 1 d . . .
Ga6 Ga 0.50423(4) 0.73488(4) 0.38078(6) 0.0224(2) Uani 1 1 d . . .
O11 O 0.3000(2) 0.4257(2) 0.4579(4) 0.0191(13) Uani 1 1 d . . .
O12 O 0.3388(2) 0.3624(2) 0.5362(4) 0.0260(14) Uani 1 1 d . . .
O13 O 0.2956(2) 0.5220(2) 0.5410(4) 0.0193(13) Uani 1 1 d . . .
O14 O 0.3483(2) 0.5318(2) 0.6594(4) 0.0265(14) Uani 1 1 d . . .
O21 O 0.2030(2) 0.4673(2) 0.4809(4) 0.0189(13) Uani 1 1 d . . .
O22 O 0.1221(2) 0.4666(2) 0.5405(4) 0.0271(14) Uani 1 1 d . . .
O23 O 0.2331(2) 0.56175(19) 0.4050(4) 0.0176(13) Uani 1 1 d . . .
O24 O 0.1762(2) 0.62808(19) 0.4215(4) 0.0235(14) Uani 1 1 d . . .
O31 O 0.24899(19) 0.4642(2) 0.3116(4) 0.0168(12) Uani 1 1 d . . .
O32 O 0.2401(2) 0.4613(2) 0.1615(4) 0.0232(13) Uani 1 1 d . . .
O33 O 0.33032(19) 0.5267(2) 0.3700(4) 0.0173(12) Uani 1 1 d . . .
O34 O 0.3687(2) 0.5768(2) 0.2657(4) 0.0273(14) Uani 1 1 d . . .
C11 C 0.3256(3) 0.4118(3) 0.5257(6) 0.0195(19) Uani 1 1 d . . .
C12 C 0.3165(4) 0.3237(3) 0.4719(7) 0.037(2) Uani 1 1 d . . .
H12A H 0.3294 0.2881 0.4870 0.055 Uiso 1 1 calc R U .
H12B H 0.2776 0.3244 0.4759 0.055 Uiso 1 1 calc R U .
H12C H 0.3275 0.3330 0.4100 0.055 Uiso 1 1 calc R U .
C13 C 0.3279(3) 0.5026(3) 0.5951(6) 0.022(2) Uani 1 1 d . . .
C14 C 0.3322(4) 0.5875(3) 0.6598(6) 0.036(2) Uani 1 1 d . . .
H14A H 0.3496 0.6060 0.7104 0.054 Uiso 1 1 calc R U .
H14B H 0.3426 0.6042 0.6023 0.054 Uiso 1 1 calc R U .
H14C H 0.2935 0.5899 0.6670 0.054 Uiso 1 1 calc R U .
C15 C 0.3449(3) 0.4472(3) 0.5972(6) 0.021(2) Uani 1 1 d . . .
C16 C 0.4005(3) 0.4344(4) 0.6367(6) 0.034(2) Uani 1 1 d . . .
H16A H 0.4201 0.4041 0.6100 0.041 Uiso 1 1 calc R U .
H16B H 0.4231 0.4647 0.6553 0.041 Uiso 1 1 calc R U .
C17 C 0.3543(4) 0.4224(4) 0.6924(6) 0.038(3) Uani 1 1 d . . .
H17A H 0.3478 0.4452 0.7461 0.046 Uiso 1 1 calc R U .
H17B H 0.3448 0.3845 0.7008 0.046 Uiso 1 1 calc R U .
C21 C 0.1615(3) 0.4912(3) 0.5036(5) 0.021(2) Uani 1 1 d . . .
C22 C 0.1278(4) 0.4098(3) 0.5576(7) 0.036(2) Uani 1 1 d . . .
H22A H 0.0952 0.3962 0.5856 0.055 Uiso 1 1 calc R U .
H22B H 0.1342 0.3913 0.5001 0.055 Uiso 1 1 calc R U .
H22C H 0.1579 0.4039 0.5987 0.055 Uiso 1 1 calc R U .
C23 C 0.1900(3) 0.5791(3) 0.4370(5) 0.0164(18) Uani 1 1 d . . .
C24 C 0.2105(3) 0.6605(3) 0.3649(6) 0.033(2) Uani 1 1 d . . .
H24A H 0.1952 0.6962 0.3590 0.049 Uiso 1 1 calc R U .
H24B H 0.2458 0.6629 0.3928 0.049 Uiso 1 1 calc R U .
H24C H 0.2136 0.6443 0.3045 0.049 Uiso 1 1 calc R U .
C25 C 0.1523(3) 0.5484(3) 0.4914(5) 0.0159(18) Uani 1 1 d . . .
C26 C 0.1275(3) 0.5782(3) 0.5735(6) 0.027(2) Uani 1 1 d . . .
H26A H 0.1195 0.5572 0.6288 0.033 Uiso 1 1 calc R U .
H26B H 0.1395 0.6151 0.5852 0.033 Uiso 1 1 calc R U .
C27 C 0.0945(3) 0.5688(3) 0.4929(6) 0.024(2) Uani 1 1 d . . .
H27A H 0.0858 0.5998 0.4542 0.029 Uiso 1 1 calc R U .
H27B H 0.0658 0.5420 0.4978 0.029 Uiso 1 1 calc R U .
C31 C 0.2607(3) 0.4810(3) 0.2343(6) 0.0161(19) Uani 1 1 d . . .
C32 C 0.1999(3) 0.4205(3) 0.1724(6) 0.026(2) Uani 1 1 d . . .
H32A H 0.1875 0.4089 0.1124 0.040 Uiso 1 1 calc R U .
H32B H 0.2152 0.3901 0.2050 0.040 Uiso 1 1 calc R U .
H32C H 0.1699 0.4348 0.2071 0.040 Uiso 1 1 calc R U .
C33 C 0.3333(3) 0.5425(3) 0.2902(6) 0.021(2) Uani 1 1 d . . .
C34 C 0.4015(3) 0.6013(4) 0.3369(6) 0.031(2) Uani 1 1 d . . .
H34A H 0.4266 0.6264 0.3091 0.047 Uiso 1 1 calc R U .
H34B H 0.3786 0.6204 0.3798 0.047 Uiso 1 1 calc R U .
H34C H 0.4213 0.5736 0.3694 0.047 Uiso 1 1 calc R U .
C35 C 0.2998(3) 0.5240(3) 0.2170(5) 0.0182(19) Uani 1 1 d . . .
C36 C 0.2812(3) 0.5665(3) 0.1456(6) 0.028(2) Uani 1 1 d . . .
H36A H 0.2451 0.5625 0.1195 0.033 Uiso 1 1 calc R U .
H36B H 0.2927 0.6037 0.1550 0.033 Uiso 1 1 calc R U .
C37 C 0.3211(4) 0.5282(3) 0.1188(6) 0.030(2) Uani 1 1 d . . .
H37A H 0.3579 0.5413 0.1106 0.036 Uiso 1 1 calc R U .
H37B H 0.3103 0.5002 0.0752 0.036 Uiso 1 1 calc R U .
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'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O31 Ga1 O11 88.5(2) . .
O31 Ga1 O21 90.7(2) . .
O11 Ga1 O21 87.8(2) . .
O31 Ga1 O13 174.2(2) . .
O11 Ga1 O13 89.3(2) . .
O21 Ga1 O13 94.6(2) . .
O31 Ga1 O33 88.8(2) . .
O11 Ga1 O33 98.7(2) . .
O21 Ga1 O33 173.5(2) . .
O13 Ga1 O33 86.2(2) . .
O31 Ga1 O23 93.7(2) . .
O11 Ga1 O23 175.9(2) . .
O21 Ga1 O23 88.7(2) . .
O13 Ga1 O23 88.8(2) . .
O33 Ga1 O23 84.8(2) . .
Br1 Ga2 Br1 107.68(4) . 7_576
Br1 Ga2 Br1 113.12(9) . 2_665
Br1 Ga2 Br1 107.68(4) 7_576 2_665
Br1 Ga2 Br1 107.68(4) . 8_756
Br1 Ga2 Br1 113.12(9) 7_576 8_756
Br1 Ga2 Br1 107.68(4) 2_665 8_756
Br2 Ga3 Br2 108.69(2) 2 8_656
Br2 Ga3 Br2 108.69(2) 2 7_566
Br2 Ga3 Br2 111.04(5) 8_656 7_566
Br2 Ga3 Br2 111.04(5) 2 .
Br2 Ga3 Br2 108.70(2) 8_656 .
Br2 Ga3 Br2 108.69(2) 7_566 .
Br3 Ga4 Br3 110.53(7) 2_565 .
Br3 Ga4 Br4 108.54(3) 2_565 2_565
Br3 Ga4 Br4 110.25(3) . 2_565
Br3 Ga4 Br4 110.25(3) 2_565 .
Br3 Ga4 Br4 108.54(3) . .
Br4 Ga4 Br4 108.71(7) 2_565 .
Br5 Ga5 Br6 111.18(6) . .
Br5 Ga5 Br8 109.62(7) . .
Br6 Ga5 Br8 108.41(6) . .
Br5 Ga5 Br7 108.60(5) . .
Br6 Ga5 Br7 110.07(6) . .
Br8 Ga5 Br7 108.93(5) . .
Br12 Ga6 Br11 109.10(5) . .
Br12 Ga6 Br9 110.47(5) . .
Br11 Ga6 Br9 109.39(5) . .
Br12 Ga6 Br10 110.10(5) . .
Br11 Ga6 Br10 110.62(5) . .
Br9 Ga6 Br10 107.14(5) . .
C11 O11 Ga1 130.5(5) . .
C11 O12 C12 117.4(7) . .
C13 O13 Ga1 129.5(5) . .
C13 O14 C14 115.8(7) . .
C21 O21 Ga1 131.0(5) . .
C21 O22 C22 117.9(6) . .
C23 O23 Ga1 129.0(5) . .
C23 O24 C24 118.3(6) . .
C31 O31 Ga1 128.4(5) . .
C31 O32 C32 117.5(6) . .
C33 O33 Ga1 126.5(5) . .
C33 O34 C34 118.0(7) . .
O11 C11 O12 120.1(8) . .
O11 C11 C15 125.4(7) . .
O12 C11 C15 114.4(7) . .
O12 C12 H12A 109.5 . .
O12 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
O12 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O13 C13 O14 120.2(8) . .
O13 C13 C15 125.7(8) . .
O14 C13 C15 114.1(7) . .
O14 C14 H14A 109.5 . .
O14 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
O14 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 C11 118.0(7) . .
C13 C15 C16 118.2(7) . .
C11 C15 C16 116.3(7) . .
C13 C15 C17 116.6(7) . .
C11 C15 C17 117.1(7) . .
C16 C15 C17 56.0(5) . .
C17 C16 C15 62.2(6) . .
C17 C16 H16A 117.5 . .
C15 C16 H16A 117.5 . .
C17 C16 H16B 117.5 . .
C15 C16 H16B 117.5 . .
H16A C16 H16B 114.6 . .
C16 C17 C15 61.9(6) . .
C16 C17 H17A 117.6 . .
C15 C17 H17A 117.6 . .
C16 C17 H17B 117.6 . .
C15 C17 H17B 117.6 . .
H17A C17 H17B 114.7 . .
O21 C21 O22 121.6(7) . .
O21 C21 C25 124.8(7) . .
O22 C21 C25 113.6(7) . .
O22 C22 H22A 109.5 . .
O22 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
O22 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O23 C23 O24 119.6(7) . .
O23 C23 C25 125.4(7) . .
O24 C23 C25 115.0(7) . .
O24 C24 H24A 109.5 . .
O24 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
O24 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 C21 118.8(7) . .
C23 C25 C27 116.4(7) . .
C21 C25 C27 118.2(7) . .
C23 C25 C26 115.6(7) . .
C21 C25 C26 116.1(7) . .
C27 C25 C26 56.6(5) . .
C27 C26 C25 61.3(5) . .
C27 C26 H26A 117.6 . .
C25 C26 H26A 117.6 . .
C27 C26 H26B 117.6 . .
C25 C26 H26B 117.6 . .
H26A C26 H26B 114.7 . .
C26 C27 C25 62.1(5) . .
C26 C27 H27A 117.6 . .
C25 C27 H27A 117.6 . .
C26 C27 H27B 117.6 . .
C25 C27 H27B 117.6 . .
H27A C27 H27B 114.6 . .
O31 C31 O32 122.1(7) . .
O31 C31 C35 124.1(7) . .
O32 C31 C35 113.8(7) . .
O32 C32 H32A 109.5 . .
O32 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
O32 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
O33 C33 O34 121.2(8) . .
O33 C33 C35 124.6(7) . .
O34 C33 C35 114.2(8) . .
O34 C34 H34A 109.5 . .
O34 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
O34 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 C31 119.5(7) . .
C33 C35 C37 118.3(7) . .
C31 C35 C37 116.2(7) . .
C33 C35 C36 116.9(7) . .
C31 C35 C36 114.4(7) . .
C37 C35 C36 55.3(5) . .
C37 C36 C35 61.4(5) . .
C37 C36 H36A 117.6 . .
C35 C36 H36A 117.6 . .
C37 C36 H36B 117.6 . .
C35 C36 H36B 117.6 . .
H36A C36 H36B 114.7 . .
C36 C37 C35 63.3(6) . .
C36 C37 H37A 117.4 . .
C35 C37 H37A 117.4 . .
C36 C37 H37B 117.4 . .
C35 C37 H37B 117.4 . .
H37A C37 H37B 114.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Br1 Ga2 2.3058(12) .
Br2 Ga3 2.3231(9) .
Br3 Ga4 2.3199(12) .
Br4 Ga4 2.3334(12) .
Br5 Ga5 2.2965(15) .
Br6 Ga5 2.3043(14) .
Br7 Ga5 2.3393(13) .
Br8 Ga5 2.3132(15) .
Br9 Ga6 2.3164(13) .
Br10 Ga6 2.3368(13) .
Br11 Ga6 2.3122(13) .
Br12 Ga6 2.3037(13) .
Ga1 O31 1.924(5) .
Ga1 O11 1.925(5) .
Ga1 O21 1.937(5) .
Ga1 O13 1.938(5) .
Ga1 O33 1.962(5) .
Ga1 O23 1.969(5) .
Ga2 Br1 2.3058(12) 7_576
Ga2 Br1 2.3058(12) 2_665
Ga2 Br1 2.3058(12) 8_756
Ga3 Br2 2.3231(9) 2
Ga3 Br2 2.3231(9) 8_656
Ga3 Br2 2.3231(9) 7_566
Ga4 Br3 2.3198(12) 2_565
Ga4 Br4 2.3334(12) 2_565
O11 C11 1.239(9) .
O12 C11 1.294(9) .
O12 C12 1.469(10) .
O13 C13 1.238(9) .
O14 C13 1.303(9) .
O14 C14 1.460(10) .
O21 C21 1.249(9) .
O22 C21 1.287(9) .
O22 C22 1.458(9) .
O23 C23 1.258(9) .
O24 C23 1.300(9) .
O24 C24 1.450(9) .
O31 C31 1.247(9) .
O32 C31 1.288(9) .
O32 C32 1.450(9) .
O33 C33 1.242(9) .
O34 C33 1.293(9) .
O34 C34 1.469(9) .
C11 C15 1.462(11) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C15 1.459(11) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.547(11) .
C15 C17 1.551(11) .
C16 C17 1.453(12) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C21 C25 1.469(11) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C25 1.462(10) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C27 1.541(10) .
C25 C26 1.553(11) .
C26 C27 1.467(11) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C31 C35 1.484(11) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C35 1.444(11) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 C37 1.544(11) .
C35 C36 1.570(11) .
C36 C37 1.446(12) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
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
Ga1 O11 C11 O12 173.1(5)
Ga1 O11 C11 C15 -9.0(11)
C12 O12 C11 O11 -7.8(11)
C12 O12 C11 C15 174.1(7)
Ga1 O13 C13 O14 168.0(5)
Ga1 O13 C13 C15 -14.7(12)
C14 O14 C13 O13 -2.3(11)
C14 O14 C13 C15 -180.0(7)
O13 C13 C15 C11 4.7(12)
O14 C13 C15 C11 -177.8(7)
O13 C13 C15 C16 153.4(8)
O14 C13 C15 C16 -29.1(11)
O13 C13 C15 C17 -142.8(8)
O14 C13 C15 C17 34.7(10)
O11 C11 C15 C13 7.5(12)
O12 C11 C15 C13 -174.6(7)
O11 C11 C15 C16 -141.8(8)
O12 C11 C15 C16 36.1(10)
O11 C11 C15 C17 154.8(8)
O12 C11 C15 C17 -27.3(10)
C13 C15 C16 C17 104.5(9)
C11 C15 C16 C17 -106.2(8)
C13 C15 C17 C16 -107.4(8)
C11 C15 C17 C16 104.8(8)
Ga1 O21 C21 O22 -178.2(5)
Ga1 O21 C21 C25 2.2(12)
C22 O22 C21 O21 1.8(12)
C22 O22 C21 C25 -178.5(7)
Ga1 O23 C23 O24 172.2(5)
Ga1 O23 C23 C25 -8.5(11)
C24 O24 C23 O23 1.9(10)
C24 O24 C23 C25 -177.5(7)
O23 C23 C25 C21 -6.2(12)
O24 C23 C25 C21 173.1(7)
O23 C23 C25 C27 -157.4(7)
O24 C23 C25 C27 21.9(10)
O23 C23 C25 C26 138.9(8)
O24 C23 C25 C26 -41.7(9)
O21 C21 C25 C23 9.6(12)
O22 C21 C25 C23 -170.0(7)
O21 C21 C25 C27 160.3(8)
O22 C21 C25 C27 -19.4(11)
O21 C21 C25 C26 -135.3(8)
O22 C21 C25 C26 45.0(10)
C23 C25 C26 C27 106.0(8)
C21 C25 C26 C27 -107.9(8)
C23 C25 C27 C26 -104.5(8)
C21 C25 C27 C26 104.2(8)
Ga1 O31 C31 O32 -172.0(5)
Ga1 O31 C31 C35 9.6(10)
C32 O32 C31 O31 3.6(10)
C32 O32 C31 C35 -177.8(6)
Ga1 O33 C33 O34 160.0(5)
Ga1 O33 C33 C35 -22.0(11)
C34 O34 C33 O33 -7.0(11)
C34 O34 C33 C35 174.8(7)
O33 C33 C35 C31 -3.5(12)
O34 C33 C35 C31 174.6(6)
O33 C33 C35 C37 -155.3(7)
O34 C33 C35 C37 22.9(10)
O33 C33 C35 C36 141.6(8)
O34 C33 C35 C36 -40.3(10)
O31 C31 C35 C33 10.4(11)
O32 C31 C35 C33 -168.2(7)
O31 C31 C35 C37 162.7(7)
O32 C31 C35 C37 -15.9(10)
O31 C31 C35 C36 -135.5(8)
O32 C31 C35 C36 45.9(9)
C33 C35 C36 C37 107.1(8)
C31 C35 C36 C37 -106.0(8)
C33 C35 C37 C36 -104.7(8)
C31 C35 C37 C36 102.7(8)
