#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:35:40 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178906 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/35/4113511.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_4113511
loop_
_publ_author_name
'Ned J. Hardman'
'Robert J. Wright'
'Andrew D. Phillips'
'Philip P. Power'
_publ_section_title
;
 Structures, Bonding, and Reaction Chemistry of the Neutral
 Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related
 Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2667
_journal_page_last               2679
_journal_paper_doi               10.1021/ja028579j
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C213 H200 Ga22'
_chemical_formula_weight         4293.57
_chemical_name_common            Ar'4*Ga11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.4464(9)
_cell_length_b                   20.6011(10)
_cell_length_c                   25.3976(12)
_cell_measurement_reflns_used    743
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      47.476
_cell_measurement_theta_min      4.368
_cell_volume                     9651.5(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXTL 5, XP (Sheldrick, 1994)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0727
_diffrn_reflns_av_sigmaI/netI    0.0772
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            64232
_diffrn_reflns_theta_full        25.37
_diffrn_reflns_theta_max         25.37
_diffrn_reflns_theta_min         1.48
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_time
;
frames measured at beginning and end of data collection 
;
_diffrn_standards_number         '50 frames remeasured'
_exptl_absorpt_coefficient_mu    3.062
_exptl_absorpt_correction_T_max  0.5656
_exptl_absorpt_correction_T_min  0.5148
_exptl_absorpt_correction_type   empricial
_exptl_absorpt_process_details   'SADABS 2.0'
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_F_000             4320
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.052
_refine_diff_density_min         -0.550
_refine_diff_density_rms         0.105
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.525(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1072
_refine_ls_number_reflns         17717
_refine_ls_number_restraints     45
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0493
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0675P)²+1.3830P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1124
_refine_ls_wR_factor_ref         0.1258
_reflns_number_gt                13248
_reflns_number_total             17717
_reflns_threshold_expression     I>2/s(I)
_cod_data_source_file            ja028579jsi20021203_051443.cif
_cod_data_source_block           nh24z
_cod_original_sg_symbol_H-M      'P 21 21 21'
_cod_database_code               4113511
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -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
Ga1 Ga 0.96413(4) 0.09082(3) 0.58425(3) 0.02350(16) Uani 1 1 d .
Ga2 Ga 0.91907(4) -0.02673(3) 0.57996(3) 0.02807(17) Uani 1 1 d .
Ga3 Ga 0.93910(10) -0.06038(8) 0.48455(6) 0.0360(4) Uani 0.50 1 d P
Ga4 Ga 1.00207(9) 0.06400(6) 0.48797(5) 0.0197(3) Uani 0.50 1 d P
Ga5 Ga 1.08200(9) -0.04339(8) 0.49258(6) 0.0403(4) Uani 0.50 1 d P
Ga6 Ga 0.91539(4) 0.01241(3) 0.40015(3) 0.02814(18) Uani 1 1 d .
Ga7 Ga 1.01753(4) 0.09561(3) 0.39098(3) 0.02397(17) Uani 1 1 d .
Ga8 Ga 0.44447(5) 0.08437(4) 0.90400(3) 0.0363(2) Uani 1 1 d .
Ga9 Ga 0.42678(5) -0.03934(4) 0.90706(3) 0.0385(2) Uani 1 1 d .
Ga10 Ga 0.40486(10) 0.00273(10) 0.99881(6) 0.0506(5) Uani 0.50 1 d P
Ga11 Ga 0.53822(10) -0.05135(8) 0.99836(6) 0.0342(4) Uani 0.50 1 d P
Ga12 Ga 0.51909(11) 0.08295(8) 0.99445(6) 0.0439(4) Uani 0.50 1 d P
Ga13 Ga 0.54432(5) 0.06495(4) 1.08784(3) 0.0439(2) Uani 1 1 d .
Ga14 Ga 0.40580(5) 0.05040(4) 1.09230(3) 0.0367(2) Uani 1 1 d .
C1 C 0.9258(3) 0.1696(3) 0.6201(3) 0.0240(14) Uani 1 1 d .
C2 C 0.8570(4) 0.1935(3) 0.6076(3) 0.0283(16) Uani 1 1 d .
C3 C 0.8288(4) 0.2476(3) 0.6351(3) 0.0335(17) Uani 1 1 d .
H3A H 0.7820 0.2636 0.6263 0.040 Uiso 1 1 calc R
C4 C 0.8680(4) 0.2772(3) 0.6742(3) 0.0316(17) Uani 1 1 d .
H4A H 0.8490 0.3143 0.6915 0.038 Uiso 1 1 calc R
C5 C 0.9357(4) 0.2527(3) 0.6883(3) 0.0331(17) Uani 1 1 d .
H5A H 0.9622 0.2727 0.7160 0.040 Uiso 1 1 calc R
C6 C 0.9647(4) 0.1994(3) 0.6624(2) 0.0247(15) Uani 1 1 d .
C7 C 0.8126(3) 0.1633(3) 0.5649(3) 0.0235(15) Uani 1 1 d .
C8 C 0.8219(3) 0.1829(3) 0.5123(3) 0.0296(17) Uani 1 1 d .
C9 C 0.7810(4) 0.1534(3) 0.4727(3) 0.0278(16) Uani 1 1 d .
H9A H 0.7873 0.1672 0.4373 0.033 Uiso 1 1 calc R
C10 C 0.7313(3) 0.1043(3) 0.4836(3) 0.0293(16) Uani 1 1 d .
C11 C 0.7237(4) 0.0857(3) 0.5361(3) 0.0332(17) Uani 1 1 d .
H11A H 0.6901 0.0523 0.5444 0.040 Uiso 1 1 calc R
C12 C 0.7631(3) 0.1138(3) 0.5773(3) 0.0261(15) Uani 1 1 d .
C13 C 0.8751(4) 0.2360(3) 0.4995(3) 0.0394(19) Uani 1 1 d .
H13A H 0.8751 0.2437 0.4614 0.059 Uiso 1 1 calc R
H13B H 0.9237 0.2229 0.5108 0.059 Uiso 1 1 calc R
H13C H 0.8610 0.2758 0.5179 0.059 Uiso 1 1 calc R
C14 C 0.6898(4) 0.0740(4) 0.4405(3) 0.0381(18) Uani 1 1 d .
H14A H 0.6679 0.0335 0.4530 0.057 Uiso 1 1 calc R
H14B H 0.7223 0.0647 0.4109 0.057 Uiso 1 1 calc R
H14C H 0.6515 0.1037 0.4289 0.057 Uiso 1 1 calc R
C15 C 0.7550(4) 0.0899(4) 0.6318(3) 0.0356(17) Uani 1 1 d .
H15A H 0.7094 0.0657 0.6349 0.053 Uiso 1 1 calc R
H15B H 0.7544 0.1268 0.6561 0.053 Uiso 1 1 calc R
H15C H 0.7957 0.0612 0.6404 0.053 Uiso 1 1 calc R
C16 C 1.0392(4) 0.1743(3) 0.6739(3) 0.0268(15) Uani 1 1 d .
C17 C 1.0473(4) 0.1196(3) 0.7072(3) 0.0291(16) Uani 1 1 d .
C18 C 1.1162(4) 0.0930(3) 0.7126(3) 0.0341(17) Uani 1 1 d .
H18A H 1.1226 0.0571 0.7357 0.041 Uiso 1 1 calc R
C19 C 1.1748(4) 0.1161(3) 0.6862(3) 0.0354(18) Uani 1 1 d .
C20 C 1.1660(4) 0.1720(3) 0.6554(3) 0.0367(18) Uani 1 1 d .
H20A H 1.2069 0.1901 0.6381 0.044 Uiso 1 1 calc R
C21 C 1.0984(4) 0.2015(3) 0.6497(3) 0.0310(17) Uani 1 1 d .
C22 C 0.9831(4) 0.0926(4) 0.7353(3) 0.0444(19) Uani 1 1 d .
H22A H 0.9995 0.0651 0.7644 0.067 Uiso 1 1 calc R
H22B H 0.9541 0.0667 0.7107 0.067 Uiso 1 1 calc R
H22C H 0.9536 0.1283 0.7491 0.067 Uiso 1 1 calc R
C23 C 1.0917(4) 0.2627(4) 0.6167(4) 0.055(2) Uani 1 1 d .
H23A H 1.0566 0.2555 0.5884 0.083 Uiso 1 1 calc R
H23B H 1.1390 0.2734 0.6015 0.083 Uiso 1 1 calc R
H23C H 1.0753 0.2986 0.6390 0.083 Uiso 1 1 calc R
C24 C 1.2472(4) 0.0825(4) 0.6863(3) 0.045(2) Uani 1 1 d .
H24A H 1.2459 0.0460 0.7111 0.067 Uiso 1 1 calc R
H24B H 1.2850 0.1132 0.6971 0.067 Uiso 1 1 calc R
H24C H 1.2579 0.0663 0.6509 0.067 Uiso 1 1 calc R
C25 C 1.0363(3) 0.1760(3) 0.3492(3) 0.0248(15) Uani 1 1 d .
C26 C 0.9910(4) 0.1973(3) 0.3092(3) 0.0308(16) Uani 1 1 d .
C27 C 1.0079(4) 0.2516(3) 0.2786(3) 0.0379(18) Uani 1 1 d .
H27A H 0.9761 0.2656 0.2515 0.046 Uiso 1 1 calc R
C28 C 1.0716(4) 0.2846(4) 0.2883(3) 0.045(2) Uani 1 1 d .
H28A H 1.0839 0.3213 0.2675 0.054 Uiso 1 1 calc R
C29 C 1.1177(4) 0.2647(4) 0.3280(3) 0.042(2) Uani 1 1 d .
H29A H 1.1608 0.2884 0.3349 0.050 Uiso 1 1 calc R
C30 C 1.1013(4) 0.2104(3) 0.3577(3) 0.0292(16) Uani 1 1 d .
C31 C 0.9198(4) 0.1614(3) 0.2981(3) 0.0383(19) Uani 1 1 d .
C32 C 0.9219(5) 0.1052(4) 0.2664(3) 0.049(2) Uani 1 1 d .
C33 C 0.8578(6) 0.0690(4) 0.2613(4) 0.059(3) Uani 1 1 d .
H33A H 0.8582 0.0300 0.2413 0.071 Uiso 1 1 calc R
C34 C 0.7949(6) 0.0888(5) 0.2847(4) 0.069(3) Uani 1 1 d .
C35 C 0.7928(5) 0.1452(5) 0.3130(4) 0.063(3) Uani 1 1 d .
H35A H 0.7481 0.1587 0.3280 0.076 Uiso 1 1 calc R
C36 C 0.8548(4) 0.1841(4) 0.3206(3) 0.043(2) Uani 1 1 d .
C37 C 0.9910(5) 0.0856(4) 0.2391(3) 0.061(3) Uani 1 1 d .
H37A H 1.0128 0.1236 0.2222 0.091 Uiso 1 1 calc R
H37B H 0.9803 0.0526 0.2124 0.091 Uiso 1 1 calc R
H37C H 1.0249 0.0676 0.2650 0.091 Uiso 1 1 calc R
C38 C 0.7236(6) 0.0496(6) 0.2786(4) 0.101(5) Uani 1 1 d .
H38A H 0.7343 0.0071 0.2631 0.151 Uiso 1 1 calc R
H38B H 0.6901 0.0733 0.2556 0.151 Uiso 1 1 calc R
H38C H 0.7012 0.0435 0.3133 0.151 Uiso 1 1 calc R
C39 C 0.8533(5) 0.2469(5) 0.3505(3) 0.056(2) Uani 1 1 d .
H39A H 0.8955 0.2492 0.3739 0.084 Uiso 1 1 calc R
H39B H 0.8088 0.2493 0.3714 0.084 Uiso 1 1 calc R
H39C H 0.8547 0.2833 0.3256 0.084 Uiso 1 1 calc R
C40 C 1.1508(3) 0.1872(3) 0.4011(3) 0.0283(16) Uani 1 1 d .
C41 C 1.2019(3) 0.1371(3) 0.3899(3) 0.0322(17) Uani 1 1 d .
C42 C 1.2439(4) 0.1138(3) 0.4316(3) 0.0361(19) Uani 1 1 d .
H42A H 1.2789 0.0812 0.4244 0.043 Uiso 1 1 calc R
C43 C 1.2372(3) 0.1352(3) 0.4817(3) 0.0290(16) Uani 1 1 d .
C44 C 1.1876(4) 0.1854(3) 0.4914(3) 0.0347(18) Uani 1 1 d .
H44A H 1.1824 0.2017 0.5262 0.042 Uiso 1 1 calc R
C45 C 1.1457(3) 0.2117(3) 0.4511(3) 0.0279(16) Uani 1 1 d .
C46 C 1.2107(4) 0.1111(4) 0.3354(3) 0.043(2) Uani 1 1 d .
H46A H 1.2052 0.1465 0.3100 0.064 Uiso 1 1 calc R
H46B H 1.1738 0.0779 0.3288 0.064 Uiso 1 1 calc R
H46C H 1.2590 0.0919 0.3317 0.064 Uiso 1 1 calc R
C47 C 1.0926(4) 0.2672(3) 0.4632(3) 0.0413(19) Uani 1 1 d .
H47A H 1.1016 0.3035 0.4391 0.062 Uiso 1 1 calc R
H47B H 1.0996 0.2818 0.4996 0.062 Uiso 1 1 calc R
H47C H 1.0427 0.2518 0.4587 0.062 Uiso 1 1 calc R
C48 C 1.2799(4) 0.1056(4) 0.5273(3) 0.045(2) Uani 1 1 d .
H48A H 1.3240 0.0850 0.5137 0.067 Uiso 1 1 calc R
H48B H 1.2500 0.0730 0.5451 0.067 Uiso 1 1 calc R
H48C H 1.2932 0.1398 0.5523 0.067 Uiso 1 1 calc R
C49 C 0.3981(4) 0.1595(3) 0.8672(3) 0.0373(19) Uani 1 1 d .
C50 C 0.3462(4) 0.1512(3) 0.8276(3) 0.0330(17) Uani 1 1 d .
C51 C 0.3179(4) 0.2045(4) 0.8013(3) 0.0362(18) Uani 1 1 d .
H51A H 0.2829 0.1988 0.7742 0.043 Uiso 1 1 calc R
C52 C 0.3413(5) 0.2664(4) 0.8152(3) 0.043(2) Uani 1 1 d .
H52A H 0.3214 0.3029 0.7975 0.051 Uiso 1 1 calc R
C53 C 0.3918(5) 0.2762(4) 0.8535(3) 0.044(2) Uani 1 1 d .
H53A H 0.4075 0.3189 0.8619 0.053 Uiso 1 1 calc R
C54 C 0.4202(5) 0.2229(3) 0.8800(3) 0.0428(19) Uani 1 1 d .
C55 C 0.3228(4) 0.0829(3) 0.8141(3) 0.0339(17) Uani 1 1 d .
C56 C 0.3680(4) 0.0423(4) 0.7850(3) 0.0332(17) Uani 1 1 d .
C57 C 0.3473(4) -0.0210(3) 0.7753(3) 0.0346(17) Uani 1 1 d .
H57A H 0.3792 -0.0482 0.7560 0.042 Uiso 1 1 calc R
C58 C 0.2822(4) -0.0463(4) 0.7925(3) 0.0384(18) Uani 1 1 d .
C59 C 0.2361(4) -0.0047(4) 0.8196(3) 0.0422(19) Uani 1 1 d .
H59A H 0.1903 -0.0204 0.8311 0.051 Uiso 1 1 calc R
C60 C 0.2551(4) 0.0593(4) 0.8304(3) 0.0399(19) Uani 1 1 d .
C61 C 0.4389(4) 0.0687(4) 0.7632(3) 0.0397(19) Uani 1 1 d .
H61A H 0.4309 0.1123 0.7489 0.060 Uiso 1 1 calc R
H61B H 0.4565 0.0400 0.7352 0.060 Uiso 1 1 calc R
H61C H 0.4750 0.0708 0.7914 0.060 Uiso 1 1 calc R
C62 C 0.2610(5) -0.1158(4) 0.7829(3) 0.046(2) Uani 1 1 d .
H62A H 0.2888 -0.1331 0.7532 0.069 Uiso 1 1 calc R
H62B H 0.2091 -0.1181 0.7748 0.069 Uiso 1 1 calc R
H62C H 0.2711 -0.1415 0.8145 0.069 Uiso 1 1 calc R
C63 C 0.2002(4) 0.1052(4) 0.8569(3) 0.048(2) Uani 1 1 d .
H63A H 0.1638 0.0796 0.8758 0.073 Uiso 1 1 calc R
H63B H 0.1762 0.1316 0.8299 0.073 Uiso 1 1 calc R
H63C H 0.2256 0.1337 0.8817 0.073 Uiso 1 1 calc R
C64 C 0.4753(5) 0.2330(3) 0.9238(3) 0.0416(19) Uani 1 1 d .
C65 C 0.5500(5) 0.2352(4) 0.9123(3) 0.049(2) Uani 1 1 d .
C66 C 0.5988(5) 0.2410(4) 0.9534(4) 0.054(2) Uani 1 1 d .
H66A H 0.6489 0.2434 0.9452 0.065 Uiso 1 1 calc R
C67 C 0.5783(5) 0.2435(4) 1.0064(4) 0.050(2) Uani 1 1 d .
C68 C 0.5022(5) 0.2409(4) 1.0160(3) 0.055(2) Uani 1 1 d .
H68A H 0.4858 0.2423 1.0514 0.066 Uiso 1 1 calc R
C69 C 0.4512(5) 0.2362(4) 0.9761(3) 0.048(2) Uani 1 1 d .
C70 C 0.5769(5) 0.2296(4) 0.8566(3) 0.058(2) Uani 1 1 d .
H70A H 0.6300 0.2276 0.8566 0.087 Uiso 1 1 calc R
H70B H 0.5609 0.2674 0.8363 0.087 Uiso 1 1 calc R
H70C H 0.5574 0.1900 0.8405 0.087 Uiso 1 1 calc R
C71 C 0.6296(6) 0.2469(5) 1.0510(4) 0.065(3) Uani 1 1 d .
H71A H 0.6781 0.2576 1.0378 0.097 Uiso 1 1 calc R
H71B H 0.6311 0.2048 1.0690 0.097 Uiso 1 1 calc R
H71C H 0.6137 0.2805 1.0757 0.097 Uiso 1 1 calc R
C72 C 0.3699(5) 0.2314(5) 0.9878(4) 0.071(3) Uani 1 1 d .
H72A H 0.3428 0.2566 0.9617 0.107 Uiso 1 1 calc R
H72B H 0.3602 0.2487 1.0231 0.107 Uiso 1 1 calc R
H72C H 0.3548 0.1858 0.9863 0.107 Uiso 1 1 calc R
C73 C 0.3214(4) 0.0894(4) 1.1298(3) 0.0365(17) Uani 1 1 d .
C74 C 0.2498(4) 0.0662(4) 1.1191(3) 0.0419(19) Uani 1 1 d .
C75 C 0.1915(5) 0.0895(5) 1.1482(3) 0.055(2) Uani 1 1 d .
H75A H 0.1442 0.0731 1.1415 0.066 Uiso 1 1 calc R
C76 C 0.2014(5) 0.1363(5) 1.1868(3) 0.056(2) Uani 1 1 d .
H76A H 0.1611 0.1517 1.2064 0.067 Uiso 1 1 calc R
C77 C 0.2703(4) 0.1605(4) 1.1968(3) 0.042(2) Uani 1 1 d .
H77A H 0.2768 0.1941 1.2219 0.051 Uiso 1 1 calc R
C78 C 0.3303(4) 0.1353(4) 1.1695(3) 0.0343(17) Uani 1 1 d .
C79 C 0.2368(4) 0.0177(4) 1.0746(3) 0.0437(19) Uani 1 1 d .
C80 C 0.2212(6) 0.0399(4) 1.0250(4) 0.064(3) Uani 1 1 d .
C81 C 0.2148(6) -0.0018(4) 0.9827(3) 0.063(3) Uani 1 1 d .
H81A H 0.2067 0.0148 0.9483 0.075 Uiso 1 1 calc R
C82 C 0.2204(6) -0.0697(5) 0.9911(4) 0.068(3) Uani 1 1 d .
C83 C 0.2341(5) -0.0903(5) 1.0435(3) 0.053(2) Uani 1 1 d .
H83A H 0.2382 -0.1355 1.0505 0.064 Uiso 1 1 calc R
C84 C 0.2417(4) -0.0480(4) 1.0838(3) 0.048(2) Uani 1 1 d .
C85 C 0.2142(7) 0.1138(4) 1.0153(4) 0.095(5) Uani 1 1 d .
H85A H 0.2340 0.1244 0.9805 0.143 Uiso 1 1 calc R
H85B H 0.2412 0.1374 1.0424 0.143 Uiso 1 1 calc R
H85C H 0.1630 0.1263 1.0167 0.143 Uiso 1 1 calc R
C86 C 0.2173(7) -0.1175(5) 0.9457(4) 0.087(4) Uani 1 1 d .
H86A H 0.2496 -0.1542 0.9530 0.131 Uiso 1 1 calc R
H86B H 0.2329 -0.0958 0.9132 0.131 Uiso 1 1 calc R
H86C H 0.1675 -0.1333 0.9415 0.131 Uiso 1 1 calc R
C87 C 0.2571(5) -0.0752(4) 1.1399(3) 0.057(2) Uani 1 1 d .
H87A H 0.2615 -0.1226 1.1381 0.086 Uiso 1 1 calc R
H87B H 0.2171 -0.0636 1.1634 0.086 Uiso 1 1 calc R
H87C H 0.3024 -0.0567 1.1533 0.086 Uiso 1 1 calc R
C88 C 0.4056(4) 0.1591(3) 1.1832(3) 0.0339(17) Uani 1 1 d .
C89 C 0.4315(5) 0.2185(4) 1.1665(3) 0.041(2) Uani 1 1 d .
C90 C 0.5036(5) 0.2369(4) 1.1758(3) 0.0402(19) Uani 1 1 d .
H90A H 0.5203 0.2780 1.1639 0.048 Uiso 1 1 calc R
C91 C 0.5507(4) 0.1962(3) 1.2021(3) 0.0353(18) Uani 1 1 d .
C92 C 0.5240(4) 0.1374(3) 1.2209(3) 0.0323(16) Uani 1 1 d .
H92A H 0.5552 0.1098 1.2405 0.039 Uiso 1 1 calc R
C93 C 0.4526(4) 0.1178(3) 1.2118(3) 0.0311(16) Uani 1 1 d .
C94 C 0.3810(5) 0.2669(4) 1.1394(3) 0.059(3) Uani 1 1 d .
H94A H 0.3418 0.2433 1.1217 0.089 Uiso 1 1 calc R
H94B H 0.4085 0.2919 1.1133 0.089 Uiso 1 1 calc R
H94C H 0.3604 0.2964 1.1656 0.089 Uiso 1 1 calc R
C95 C 0.6276(4) 0.2169(4) 1.2132(3) 0.042(2) Uani 1 1 d .
H95A H 0.6541 0.1808 1.2294 0.063 Uiso 1 1 calc R
H95B H 0.6274 0.2540 1.2373 0.063 Uiso 1 1 calc R
H95C H 0.6514 0.2292 1.1802 0.063 Uiso 1 1 calc R
C96 C 0.4247(4) 0.0553(3) 1.2344(3) 0.0366(17) Uani 1 1 d .
H96A H 0.3771 0.0627 1.2504 0.055 Uiso 1 1 calc R
H96B H 0.4585 0.0394 1.2612 0.055 Uiso 1 1 calc R
H96C H 0.4202 0.0229 1.2062 0.055 Uiso 1 1 calc R
C97 C 0.4749(5) 0.0642(4) 0.6179(4) 0.067(3) Uiso 1 1 d D
C98 C 0.4263(4) 0.0124(4) 0.6177(4) 0.066(3) Uiso 1 1 d D
C99 C 0.4483(5) -0.0494(4) 0.6178(4) 0.069(3) Uiso 1 1 d D
C100 C 0.4528(8) 0.1185(7) 0.6171(6) 0.039(4) Uiso 0.50 1 d P
C101 C 0.0014(10) 0.0341(4) 1.0007(5) 0.158(7) Uiso 1 1 d D
C102 C -0.0001(11) 0.0675(4) 0.9526(6) 0.155(7) Uiso 1 1 d D
C103 C -0.0031(12) 0.0340(4) 0.9052(5) 0.165(7) Uiso 1 1 d D
C104 C -0.008(2) 0.0664(11) 1.0550(8) 0.167(14) Uiso 0.50 1 d PD
C105 C 0.9645(6) 0.3986(4) 0.5707(4) 0.084(3) Uiso 1 1 d D
C106 C 0.9775(7) 0.4153(6) 0.5287(5) 0.046(4) Uiso 0.50 1 d PD
C107 C 1.0005(8) 0.4831(6) 0.5235(4) 0.044(4) Uiso 0.50 1 d PD
C108 C 1.0046(9) 0.5216(5) 0.5663(5) 0.044(4) Uiso 0.50 1 d PD
C109 C 0.9840(10) 0.4964(8) 0.6156(5) 0.059(5) Uiso 0.50 1 d PD
C110 C 0.9623(10) 0.4298(8) 0.6198(6) 0.066(5) Uiso 0.50 1 d PD
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'
Ga Ga 0.2307 1.6083 '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 Ga2 138.42(19) . 2_755
C1 Ga1 Ga2 132.45(19) . .
Ga2 Ga1 Ga2 77.36(3) 2_755 .
C1 Ga1 Ga4 134.25(19) . .
Ga2 Ga1 Ga4 67.65(4) 2_755 .
Ga2 Ga1 Ga4 81.18(4) . .
C1 Ga1 Ga5 125.79(19) . 2_755
Ga2 Ga1 Ga5 92.46(4) 2_755 2_755
Ga2 Ga1 Ga5 60.84(5) . 2_755
Ga4 Ga1 Ga5 35.62(5) . 2_755
Ga1 Ga2 Ga3 77.02(5) 2_755 .
Ga1 Ga2 Ga1 102.42(3) 2_755 .
Ga3 Ga2 Ga1 104.51(5) . .
Ga1 Ga2 Ga5 109.10(5) 2_755 2_755
Ga3 Ga2 Ga5 49.63(5) . 2_755
Ga1 Ga2 Ga5 61.48(4) . 2_755
Ga1 Ga2 Ga4 57.40(3) 2_755 2_755
Ga3 Ga2 Ga4 22.36(5) . 2_755
Ga1 Ga2 Ga4 97.10(4) . 2_755
Ga5 Ga2 Ga4 57.67(4) 2_755 2_755
Ga4 Ga3 Ga5 103.70(13) 2_755 2_755
Ga4 Ga3 Ga2 95.00(12) 2_755 .
Ga5 Ga3 Ga2 67.58(6) 2_755 .
Ga4 Ga3 Ga7 75.45(11) 2_755 2_755
Ga5 Ga3 Ga7 114.34(8) 2_755 2_755
Ga2 Ga3 Ga7 170.45(9) . 2_755
Ga4 Ga3 Ga6 105.49(12) 2_755 .
Ga5 Ga3 Ga6 59.50(6) 2_755 .
Ga2 Ga3 Ga6 126.23(7) . .
Ga7 Ga3 Ga6 58.13(4) 2_755 .
Ga4 Ga3 Ga5 11.47(10) 2_755 .
Ga5 Ga3 Ga5 92.32(7) 2_755 .
Ga2 Ga3 Ga5 92.00(7) . .
Ga7 Ga3 Ga5 78.66(6) 2_755 .
Ga6 Ga3 Ga5 98.67(6) . .
Ga4 Ga3 Ga4 69.48(12) 2_755 .
Ga5 Ga3 Ga4 34.81(6) 2_755 .
Ga2 Ga3 Ga4 77.45(5) . .
Ga7 Ga3 Ga4 98.90(6) 2_755 .
Ga6 Ga3 Ga4 65.06(5) . .
Ga5 Ga3 Ga4 58.01(6) . .
Ga3 Ga4 Ga5 160.80(17) 2_755 2_755
Ga3 Ga4 Ga7 80.22(11) 2_755 .
Ga5 Ga4 Ga7 104.11(9) 2_755 .
Ga3 Ga4 Ga1 110.90(13) 2_755 .
Ga5 Ga4 Ga1 74.27(8) 2_755 .
Ga7 Ga4 Ga1 151.48(6) . .
Ga3 Ga4 Ga4 87.73(13) 2_755 2_755
Ga5 Ga4 Ga4 73.07(9) 2_755 2_755
Ga7 Ga4 Ga4 104.90(3) . 2_755
Ga1 Ga4 Ga4 101.79(4) . 2_755
Ga3 Ga4 Ga5 52.82(11) 2_755 .
Ga5 Ga4 Ga5 108.10(8) 2_755 .
Ga7 Ga4 Ga5 101.06(6) . .
Ga1 Ga4 Ga5 106.50(6) . .
Ga4 Ga4 Ga5 35.42(6) 2_755 .
Ga3 Ga4 Ga3 110.22(12) 2_755 .
Ga5 Ga4 Ga3 50.62(8) 2_755 .
Ga7 Ga4 Ga3 104.33(6) . .
Ga1 Ga4 Ga3 96.39(6) . .
Ga4 Ga4 Ga3 22.79(5) 2_755 .
Ga5 Ga4 Ga3 58.21(6) . .
Ga3 Ga4 Ga2 62.64(11) 2_755 2_755
Ga5 Ga4 Ga2 111.07(8) 2_755 2_755
Ga7 Ga4 Ga2 142.86(7) . 2_755
Ga1 Ga4 Ga2 54.95(3) . 2_755
Ga4 Ga4 Ga2 75.29(4) 2_755 2_755
Ga5 Ga4 Ga2 57.21(5) . 2_755
Ga3 Ga4 Ga2 89.47(5) . 2_755
Ga3 Ga4 Ga6 117.08(12) 2_755 .
Ga5 Ga4 Ga6 55.76(7) 2_755 .
Ga7 Ga4 Ga6 54.83(3) . .
Ga1 Ga4 Ga6 129.99(6) . .
Ga4 Ga4 Ga6 67.87(4) 2_755 .
Ga5 Ga4 Ga6 91.96(6) . .
Ga3 Ga4 Ga6 54.81(5) . .
Ga2 Ga4 Ga6 143.06(5) 2_755 .
Ga4 Ga5 Ga3 94.57(9) 2_755 2_755
Ga4 Ga5 Ga6 91.03(9) 2_755 2_755
Ga3 Ga5 Ga6 69.91(7) 2_755 2_755
Ga4 Ga5 Ga2 101.39(8) 2_755 2_755
Ga3 Ga5 Ga2 62.79(6) 2_755 2_755
Ga6 Ga5 Ga2 131.73(8) 2_755 2_755
Ga4 Ga5 Ga4 71.51(8) 2_755 .
Ga3 Ga5 Ga4 23.48(5) 2_755 .
Ga6 Ga5 Ga4 75.55(5) 2_755 .
Ga2 Ga5 Ga4 65.12(5) 2_755 .
Ga4 Ga5 Ga1 70.11(7) 2_755 2_755
Ga3 Ga5 Ga1 112.58(8) 2_755 2_755
Ga6 Ga5 Ga1 161.01(9) 2_755 2_755
Ga2 Ga5 Ga1 57.68(4) 2_755 2_755
Ga4 Ga5 Ga1 99.58(6) . 2_755
Ga4 Ga5 Ga3 7.73(7) 2_755 .
Ga3 Ga5 Ga3 86.86(7) 2_755 .
Ga6 Ga5 Ga3 88.86(7) 2_755 .
Ga2 Ga5 Ga3 97.38(6) 2_755 .
Ga4 Ga5 Ga3 63.78(6) . .
Ga1 Ga5 Ga3 72.73(6) 2_755 .
Ga5 Ga6 Ga7 107.85(5) 2_755 2_755
Ga5 Ga6 Ga7 84.11(5) 2_755 .
Ga7 Ga6 Ga7 102.62(3) 2_755 .
Ga5 Ga6 Ga3 50.60(5) 2_755 .
Ga7 Ga6 Ga3 60.11(4) 2_755 .
Ga7 Ga6 Ga3 109.32(5) . .
Ga5 Ga6 Ga4 33.21(5) 2_755 .
Ga7 Ga6 Ga4 96.92(4) 2_755 .
Ga7 Ga6 Ga4 55.02(3) . .
Ga3 Ga6 Ga4 60.14(4) . .
C25 Ga7 Ga6 133.34(19) . 2_755
C25 Ga7 Ga6 137.04(18) . .
Ga6 Ga7 Ga6 76.41(3) 2_755 .
C25 Ga7 Ga4 137.75(19) . .
Ga6 Ga7 Ga4 75.25(4) 2_755 .
Ga6 Ga7 Ga4 70.15(4) . .
C25 Ga7 Ga3 131.38(18) . 2_755
Ga6 Ga7 Ga3 61.76(5) 2_755 2_755
Ga6 Ga7 Ga3 87.51(4) . 2_755
Ga4 Ga7 Ga3 24.33(5) . 2_755
C49 Ga8 Ga11 135.2(2) . 2_655
C49 Ga8 Ga9 134.0(2) . 2_655
Ga11 Ga8 Ga9 75.76(5) 2_655 2_655
C49 Ga8 Ga9 136.6(2) . .
Ga11 Ga8 Ga9 73.66(5) 2_655 .
Ga9 Ga8 Ga9 75.92(4) 2_655 .
C49 Ga8 Ga12 129.0(2) . .
Ga11 Ga8 Ga12 27.53(5) 2_655 .
Ga9 Ga8 Ga12 59.43(5) 2_655 .
Ga9 Ga8 Ga12 91.63(5) . .
Ga10 Ga9 Ga8 107.62(5) . 2_655
Ga10 Ga9 Ga8 72.98(6) . .
Ga8 Ga9 Ga8 103.97(4) 2_655 .
Ga10 Ga9 Ga12 52.37(6) . 2_655
Ga8 Ga9 Ga12 62.73(5) 2_655 2_655
Ga8 Ga9 Ga12 108.68(5) . 2_655
Ga11 Ga10 Ga12 95.14(12) 2_655 2_655
Ga11 Ga10 Ga9 96.54(10) 2_655 .
Ga12 Ga10 Ga9 65.54(6) 2_655 .
Ga11 Ga10 Ga14 74.85(9) 2_655 .
Ga12 Ga10 Ga14 109.88(8) 2_655 .
Ga9 Ga10 Ga14 170.16(9) . .
Ga11 Ga10 Ga12 5.86(8) 2_655 .
Ga12 Ga10 Ga12 89.52(9) 2_655 .
Ga9 Ga10 Ga12 92.73(7) . .
Ga14 Ga10 Ga12 78.30(7) . .
Ga11 Ga10 Ga11 68.01(11) 2_655 .
Ga12 Ga10 Ga11 27.27(6) 2_655 .
Ga9 Ga10 Ga11 73.02(6) . .
Ga14 Ga10 Ga11 98.94(7) . .
Ga12 Ga10 Ga11 62.49(7) . .
Ga11 Ga10 Ga13 96.15(10) 2_655 2_655
Ga12 Ga10 Ga13 56.33(6) 2_655 2_655
Ga9 Ga10 Ga13 121.26(8) . 2_655
Ga14 Ga10 Ga13 56.30(4) . 2_655
Ga12 Ga10 Ga13 94.40(7) . 2_655
Ga11 Ga10 Ga13 59.74(5) . 2_655
Ga12 Ga11 Ga10 167.31(17) 2_655 2_655
Ga12 Ga11 Ga8 83.70(11) 2_655 2_655
Ga10 Ga11 Ga8 95.89(10) 2_655 2_655
Ga12 Ga11 Ga11 87.96(13) 2_655 2_655
Ga10 Ga11 Ga11 80.03(12) 2_655 2_655
Ga8 Ga11 Ga11 107.21(4) 2_655 2_655
Ga12 Ga11 Ga14 114.47(12) 2_655 2_655
Ga10 Ga11 Ga14 72.55(9) 2_655 2_655
Ga8 Ga11 Ga14 145.81(7) 2_655 2_655
Ga11 Ga11 Ga14 102.36(5) 2_655 2_655
Ga12 Ga11 Ga10 56.14(11) 2_655 .
Ga10 Ga11 Ga10 111.99(11) 2_655 .
Ga8 Ga11 Ga10 103.39(7) 2_655 .
Ga11 Ga11 Ga10 31.96(7) 2_655 .
Ga14 Ga11 Ga10 110.78(6) 2_655 .
Ga12 Ga11 Ga13 62.79(10) 2_655 2_655
Ga10 Ga11 Ga13 117.67(10) 2_655 2_655
Ga8 Ga11 Ga13 146.24(8) 2_655 2_655
Ga11 Ga11 Ga13 77.16(5) 2_655 2_655
Ga14 Ga11 Ga13 57.47(4) 2_655 2_655
Ga10 Ga11 Ga13 62.23(5) . 2_655
Ga12 Ga11 Ga12 114.09(11) 2_655 .
Ga10 Ga11 Ga12 53.67(10) 2_655 .
Ga8 Ga11 Ga12 104.52(7) 2_655 .
Ga11 Ga11 Ga12 26.49(6) 2_655 .
Ga14 Ga11 Ga12 94.33(7) 2_655 .
Ga10 Ga11 Ga12 58.40(7) . .
Ga13 Ga11 Ga12 93.46(6) 2_655 .
Ga11 Ga12 Ga10 96.59(12) 2_655 2_655
Ga11 Ga12 Ga13 90.28(12) 2_655 .
Ga10 Ga12 Ga13 73.47(7) 2_655 .
Ga11 Ga12 Ga9 102.34(12) 2_655 2_655
Ga10 Ga12 Ga9 62.10(6) 2_655 2_655
Ga13 Ga12 Ga9 134.75(8) . 2_655
Ga11 Ga12 Ga8 68.77(10) 2_655 .
Ga10 Ga12 Ga8 111.72(8) 2_655 .
Ga13 Ga12 Ga8 158.66(10) . .
Ga9 Ga12 Ga8 57.84(4) 2_655 .
Ga11 Ga12 Ga10 6.83(9) 2_655 .
Ga10 Ga12 Ga10 90.25(9) 2_655 .
Ga13 Ga12 Ga10 90.92(7) . .
Ga9 Ga12 Ga10 97.14(7) 2_655 .
Ga8 Ga12 Ga10 68.79(6) . .
Ga11 Ga12 Ga11 65.56(11) 2_655 .
Ga10 Ga12 Ga11 31.19(7) 2_655 .
Ga13 Ga12 Ga11 77.94(6) . .
Ga9 Ga12 Ga11 68.80(6) 2_655 .
Ga8 Ga12 Ga11 96.10(7) . .
Ga10 Ga12 Ga11 59.11(7) . .
Ga12 Ga13 Ga14 104.66(5) . 2_655
Ga12 Ga13 Ga14 82.62(6) . .
Ga14 Ga13 Ga14 104.33(4) 2_655 .
Ga12 Ga13 Ga11 26.93(6) . 2_655
Ga14 Ga13 Ga11 98.14(4) 2_655 2_655
Ga14 Ga13 Ga11 58.34(4) . 2_655
Ga12 Ga13 Ga10 50.20(6) . 2_655
Ga14 Ga13 Ga10 56.94(4) 2_655 2_655
Ga14 Ga13 Ga10 107.93(5) . 2_655
Ga11 Ga13 Ga10 58.02(5) 2_655 2_655
C73 Ga14 Ga13 132.7(2) . 2_655
C73 Ga14 Ga10 126.2(2) . .
Ga13 Ga14 Ga10 66.75(5) 2_655 .
C73 Ga14 Ga13 138.5(2) . .
Ga13 Ga14 Ga13 75.44(4) 2_655 .
Ga10 Ga14 Ga13 90.60(5) . .
C73 Ga14 Ga11 138.2(2) . 2_655
Ga13 Ga14 Ga11 79.80(4) 2_655 2_655
Ga10 Ga14 Ga11 32.60(6) . 2_655
Ga13 Ga14 Ga11 64.19(5) . 2_655
C2 C1 C6 118.4(6) . .
C2 C1 Ga1 120.4(5) . .
C6 C1 Ga1 121.0(4) . .
C1 C2 C3 120.0(6) . .
C1 C2 C7 121.1(6) . .
C3 C2 C7 118.9(6) . .
C4 C3 C2 120.9(6) . .
C3 C4 C5 119.8(6) . .
C6 C5 C4 120.7(6) . .
C5 C6 C1 120.1(6) . .
C5 C6 C16 122.4(6) . .
C1 C6 C16 117.3(5) . .
C8 C7 C12 120.0(6) . .
C8 C7 C2 120.2(6) . .
C12 C7 C2 119.7(6) . .
C9 C8 C7 119.6(6) . .
C9 C8 C13 120.8(7) . .
C7 C8 C13 119.6(6) . .
C10 C9 C8 121.9(7) . .
C9 C10 C11 117.1(6) . .
C9 C10 C14 120.1(7) . .
C11 C10 C14 122.8(6) . .
C12 C11 C10 123.4(6) . .
C11 C12 C7 118.0(6) . .
C11 C12 C15 120.7(6) . .
C7 C12 C15 121.2(6) . .
C21 C16 C17 120.6(6) . .
C21 C16 C6 120.1(6) . .
C17 C16 C6 119.2(6) . .
C18 C17 C16 117.9(7) . .
C18 C17 C22 122.1(6) . .
C16 C17 C22 120.0(6) . .
C19 C18 C17 122.7(7) . .
C18 C19 C20 118.1(7) . .
C18 C19 C24 122.9(7) . .
C20 C19 C24 118.9(7) . .
C21 C20 C19 121.4(7) . .
C16 C21 C20 119.0(6) . .
C16 C21 C23 121.5(6) . .
C20 C21 C23 119.5(7) . .
C26 C25 C30 117.7(6) . .
C26 C25 Ga7 123.2(5) . .
C30 C25 Ga7 118.9(5) . .
C25 C26 C27 121.8(6) . .
C25 C26 C31 119.9(6) . .
C27 C26 C31 118.3(6) . .
C28 C27 C26 119.0(7) . .
C27 C28 C29 120.6(7) . .
C28 C29 C30 120.3(7) . .
C29 C30 C25 120.5(6) . .
C29 C30 C40 121.6(6) . .
C25 C30 C40 117.9(6) . .
C36 C31 C32 121.8(7) . .
C36 C31 C26 119.7(7) . .
C32 C31 C26 118.4(7) . .
C33 C32 C31 117.7(9) . .
C33 C32 C37 121.9(8) . .
C31 C32 C37 120.4(7) . .
C34 C33 C32 121.1(9) . .
C35 C34 C33 120.5(8) . .
C35 C34 C38 118.1(12) . .
C33 C34 C38 121.4(11) . .
C34 C35 C36 122.1(10) . .
C31 C36 C35 116.6(8) . .
C31 C36 C39 120.5(7) . .
C35 C36 C39 123.0(8) . .
C45 C40 C41 119.8(6) . .
C45 C40 C30 121.2(6) . .
C41 C40 C30 118.9(7) . .
C42 C41 C40 117.6(7) . .
C42 C41 C46 121.3(7) . .
C40 C41 C46 121.1(6) . .
C43 C42 C41 123.4(7) . .
C42 C43 C44 117.8(7) . .
C42 C43 C48 122.4(7) . .
C44 C43 C48 119.8(7) . .
C45 C44 C43 121.3(7) . .
C40 C45 C44 120.0(6) . .
C40 C45 C47 120.3(6) . .
C44 C45 C47 119.7(7) . .
C50 C49 C54 118.6(7) . .
C50 C49 Ga8 122.3(5) . .
C54 C49 Ga8 119.1(6) . .
C51 C50 C49 120.5(7) . .
C51 C50 C55 121.3(7) . .
C49 C50 C55 118.2(6) . .
C50 C51 C52 119.1(7) . .
C53 C52 C51 121.9(7) . .
C52 C53 C54 119.1(8) . .
C53 C54 C49 120.8(8) . .
C53 C54 C64 119.9(7) . .
C49 C54 C64 119.3(6) . .
C56 C55 C60 118.7(7) . .
C56 C55 C50 120.5(7) . .
C60 C55 C50 120.7(6) . .
C57 C56 C55 119.7(7) . .
C57 C56 C61 120.7(7) . .
C55 C56 C61 119.5(7) . .
C58 C57 C56 122.8(7) . .
C57 C58 C59 117.1(7) . .
C57 C58 C62 122.4(7) . .
C59 C58 C62 120.5(7) . .
C58 C59 C60 121.8(8) . .
C59 C60 C55 119.7(7) . .
C59 C60 C63 120.1(7) . .
C55 C60 C63 120.1(7) . .
C69 C64 C65 120.3(8) . .
C69 C64 C54 119.2(8) . .
C65 C64 C54 120.4(7) . .
C66 C65 C64 118.8(8) . .
C66 C65 C70 120.2(8) . .
C64 C65 C70 121.0(8) . .
C65 C66 C67 123.6(9) . .
C66 C67 C68 115.4(8) . .
C66 C67 C71 124.5(9) . .
C68 C67 C71 120.1(9) . .
C69 C68 C67 123.1(8) . .
C68 C69 C64 118.6(8) . .
C68 C69 C72 121.9(8) . .
C64 C69 C72 119.4(8) . .
C78 C73 C74 118.3(7) . .
C78 C73 Ga14 121.9(6) . .
C74 C73 Ga14 119.6(5) . .
C75 C74 C73 119.9(7) . .
C75 C74 C79 119.7(7) . .
C73 C74 C79 120.3(7) . .
C76 C75 C74 120.8(8) . .
C75 C76 C77 119.9(8) . .
C76 C77 C78 120.0(7) . .
C73 C78 C77 121.0(7) . .
C73 C78 C88 119.6(6) . .
C77 C78 C88 119.4(7) . .
C80 C79 C84 119.9(8) . .
C80 C79 C74 119.7(7) . .
C84 C79 C74 120.4(7) . .
C79 C80 C81 121.7(8) . .
C79 C80 C85 119.5(8) . .
C81 C80 C85 118.7(8) . .
C80 C81 C82 119.3(9) . .
C81 C82 C83 116.7(9) . .
C81 C82 C86 121.5(9) . .
C83 C82 C86 121.7(9) . .
C84 C83 C82 122.3(9) . .
C83 C84 C79 120.0(8) . .
C83 C84 C87 118.6(8) . .
C79 C84 C87 121.4(8) . .
C89 C88 C93 118.7(7) . .
C89 C88 C78 122.2(7) . .
C93 C88 C78 119.0(6) . .
C88 C89 C90 121.0(7) . .
C88 C89 C94 120.4(8) . .
C90 C89 C94 118.5(8) . .
C91 C90 C89 120.9(7) . .
C90 C91 C92 118.1(7) . .
C90 C91 C95 120.7(7) . .
C92 C91 C95 121.0(7) . .
C91 C92 C93 122.0(7) . .
C92 C93 C88 119.2(7) . .
C92 C93 C96 120.5(6) . .
C88 C93 C96 120.2(7) . .
C100 C97 C98 120.0(11) . .
C100 C97 C99 122.1(11) . 2_655
C98 C97 C99 117.8(7) . 2_655
C99 C98 C97 122.3(8) . .
C98 C99 C97 119.9(8) . 2_655
C102 C101 C101 119.3(5) . 2
C102 C101 C104 124.5(12) . .
C101 C101 C104 115.3(11) 2 .
C103 C102 C101 120.8(7) . .
C102 C103 C103 119.5(5) . 2
C106 C105 C110 134.0(11) . .
C106 C105 C108 65.7(8) . 2_765
C110 C105 C108 68.6(8) . 2_765
C105 C106 C107 115.6(11) . .
C105 C106 C108 74.9(8) . 2_765
C107 C106 C108 40.8(6) . 2_765
C107 C107 C108 95.0(9) 2_765 2_765
C107 C107 C108 54.0(7) 2_765 .
C108 C107 C108 42.0(11) 2_765 .
C107 C107 C106 161(3) 2_765 .
C108 C107 C106 78.5(10) 2_765 .
C108 C107 C106 120.3(10) . .
C108 C108 C107 84.1(9) 2_765 2_765
C108 C108 C109 75.8(9) 2_765 2_765
C107 C108 C109 158.1(15) 2_765 2_765
C108 C108 C107 53.9(7) 2_765 .
C107 C108 C107 31.0(11) 2_765 .
C109 C108 C107 127.4(12) 2_765 .
C108 C108 C109 65.6(8) 2_765 .
C107 C108 C109 145.8(14) 2_765 .
C109 C108 C109 25.5(14) 2_765 .
C107 C108 C109 118.9(10) . .
C108 C108 C106 144.4(7) 2_765 2_765
C107 C108 C106 60.7(9) 2_765 2_765
C109 C108 C106 137.6(12) 2_765 2_765
C107 C108 C106 90.5(10) . 2_765
C109 C108 C106 149.6(12) . 2_765
C108 C108 C105 171(3) 2_765 2_765
C107 C108 C105 100.1(10) 2_765 2_765
C109 C108 C105 98.7(10) 2_765 2_765
C107 C108 C105 128.7(10) . 2_765
C109 C108 C105 112.4(10) . 2_765
C106 C108 C105 39.4(6) 2_765 2_765
C108 C108 C110 127.7(10) 2_765 2_765
C107 C108 C110 146.0(13) 2_765 2_765
C109 C108 C110 52.1(8) 2_765 2_765
C107 C108 C110 163.3(15) . 2_765
C109 C108 C110 68.0(10) . 2_765
C106 C108 C110 86.0(8) 2_765 2_765
C105 C108 C110 46.7(6) 2_765 2_765
C109 C109 C108 85.1(15) 2_765 2_765
C109 C109 C108 69.4(11) 2_765 .
C108 C109 C108 38.7(10) 2_765 .
C109 C109 C110 121(4) 2_765 .
C108 C109 C110 81.2(11) 2_765 .
C108 C109 C110 119.7(11) . .
C109 C109 C110 43(3) 2_765 2_765
C108 C109 C110 101.7(11) 2_765 2_765
C108 C109 C110 66.2(9) . 2_765
C110 C109 C110 161.6(14) . 2_765
C105 C110 C109 111.3(11) . .
C105 C110 C108 64.7(7) . 2_765
C109 C110 C108 46.7(7) . 2_765
C105 C110 C109 108.4(10) . 2_765
C109 C110 C109 16.7(14) . 2_765
C108 C110 C109 45.8(6) 2_765 2_765
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga1 C1 1.991(6) .
Ga1 Ga2 2.5293(10) 2_755
Ga1 Ga2 2.5626(10) .
Ga1 Ga4 2.6028(14) .
Ga1 Ga5 2.6644(17) 2_755
Ga2 Ga1 2.5293(10) 2_755
Ga2 Ga3 2.5474(17) .
Ga2 Ga5 2.6478(18) 2_755
Ga2 Ga4 2.8573(15) 2_755
Ga3 Ga4 1.091(2) 2_755
Ga3 Ga5 2.182(2) 2_755
Ga3 Ga7 2.6103(17) 2_755
Ga3 Ga6 2.6524(19) .
Ga3 Ga5 2.667(3) .
Ga3 Ga4 2.815(2) .
Ga4 Ga3 1.091(2) 2_755
Ga4 Ga5 1.612(2) 2_755
Ga4 Ga7 2.5639(14) .
Ga4 Ga4 2.638(3) 2_755
Ga4 Ga5 2.661(2) .
Ga4 Ga2 2.8573(15) 2_755
Ga4 Ga6 2.9430(16) .
Ga5 Ga4 1.612(2) 2_755
Ga5 Ga3 2.182(2) 2_755
Ga5 Ga6 2.4334(17) 2_755
Ga5 Ga2 2.6479(18) 2_755
Ga5 Ga1 2.6644(17) 2_755
Ga6 Ga5 2.4334(17) 2_755
Ga6 Ga7 2.5568(10) 2_755
Ga6 Ga7 2.5578(9) .
Ga7 C25 1.996(6) .
Ga7 Ga6 2.5568(10) 2_755
Ga7 Ga3 2.6103(17) 2_755
Ga8 C49 2.001(7) .
Ga8 Ga11 2.5116(16) 2_655
Ga8 Ga9 2.5509(12) 2_655
Ga8 Ga9 2.5705(11) .
Ga8 Ga12 2.6782(18) .
Ga9 Ga10 2.5190(18) .
Ga9 Ga8 2.5509(12) 2_655
Ga9 Ga12 2.5945(19) 2_655
Ga10 Ga11 1.451(3) 2_655
Ga10 Ga12 2.257(3) 2_655
Ga10 Ga14 2.5696(18) .
Ga10 Ga12 2.680(3) .
Ga10 Ga11 2.700(2) .
Ga10 Ga13 2.817(2) 2_655
Ga11 Ga12 1.245(2) 2_655
Ga11 Ga10 1.451(3) 2_655
Ga11 Ga8 2.5116(16) 2_655
Ga11 Ga11 2.542(3) 2_655
Ga11 Ga14 2.5999(17) 2_655
Ga11 Ga13 2.7498(18) 2_655
Ga11 Ga12 2.791(2) .
Ga12 Ga11 1.245(2) 2_655
Ga12 Ga10 2.257(3) 2_655
Ga12 Ga13 2.4455(18) .
Ga12 Ga9 2.5945(19) 2_655
Ga13 Ga14 2.5507(11) 2_655
Ga13 Ga14 2.5752(13) .
Ga13 Ga11 2.7498(18) 2_655
Ga13 Ga10 2.817(2) 2_655
Ga14 C73 1.995(7) .
Ga14 Ga13 2.5507(11) 2_655
Ga14 Ga11 2.5999(17) 2_655
C1 C2 1.396(9) .
C1 C6 1.432(9) .
C2 C3 1.414(9) .
C2 C7 1.495(9) .
C3 C4 1.371(10) .
C4 C5 1.395(10) .
C5 C6 1.388(9) .
C6 C16 1.497(9) .
C7 C8 1.406(10) .
C7 C12 1.405(9) .
C8 C9 1.397(9) .
C8 C13 1.505(10) .
C9 C10 1.393(9) .
C10 C11 1.395(10) .
C10 C14 1.475(9) .
C11 C12 1.398(10) .
C12 C15 1.476(10) .
C16 C21 1.373(10) .
C16 C17 1.416(9) .
C17 C18 1.392(10) .
C17 C22 1.489(10) .
C18 C19 1.358(10) .
C19 C20 1.401(10) .
C19 C24 1.505(10) .
C20 C21 1.395(10) .
C21 C23 1.518(10) .
C25 C26 1.387(9) .
C25 C30 1.410(9) .
C26 C27 1.399(9) .
C26 C31 1.533(10) .
C27 C28 1.380(10) .
C28 C29 1.380(11) .
C29 C30 1.383(10) .
C30 C40 1.507(9) .
C31 C36 1.406(11) .
C31 C32 1.412(11) .
C32 C33 1.404(12) .
C32 C37 1.507(13) .
C33 C34 1.364(15) .
C34 C35 1.368(15) .
C34 C38 1.552(12) .
C35 C36 1.409(12) .
C36 C39 1.501(12) .
C40 C45 1.371(10) .
C40 C41 1.426(9) .
C41 C42 1.398(10) .
C41 C46 1.492(11) .
C42 C43 1.352(10) .
C43 C44 1.402(10) .
C43 C48 1.528(10) .
C44 C45 1.393(10) .
C45 C47 1.537(10) .
C49 C50 1.399(10) .
C49 C54 1.406(10) .
C50 C51 1.387(10) .
C50 C55 1.511(10) .
C51 C52 1.392(11) .
C52 C53 1.363(11) .
C53 C54 1.391(10) .
C54 C64 1.521(11) .
C55 C56 1.393(10) .
C55 C60 1.402(11) .
C56 C57 1.381(10) .
C56 C61 1.521(10) .
C57 C58 1.379(10) .
C58 C59 1.392(10) .
C58 C62 1.504(11) .
C59 C60 1.391(11) .
C60 C63 1.541(10) .
C64 C69 1.403(11) .
C64 C65 1.409(12) .
C65 C66 1.383(11) .
C65 C70 1.505(11) .
C66 C67 1.397(12) .
C67 C68 1.425(12) .
C67 C71 1.479(12) .
C68 C69 1.386(11) .
C69 C72 1.531(13) .
C73 C78 1.392(10) .
C73 C74 1.430(11) .
C74 C75 1.391(12) .
C74 C79 1.528(11) .
C75 C76 1.388(12) .
C76 C77 1.388(12) .
C77 C78 1.404(10) .
C78 C88 1.514(10) .
C79 C80 1.369(11) .
C79 C84 1.376(11) .
C80 C81 1.380(12) .
C80 C85 1.547(12) .
C81 C82 1.420(12) .
C82 C83 1.419(12) .
C82 C86 1.518(13) .
C83 C84 1.351(11) .
C84 C87 1.557(11) .
C88 C89 1.382(11) .
C88 C93 1.413(10) .
C89 C90 1.404(12) .
C89 C94 1.527(11) .
C90 C91 1.381(11) .
C91 C92 1.392(10) .
C91 C95 1.508(10) .
C92 C93 1.397(10) .
C93 C96 1.500(10) .
C97 C100 1.190(15) .
C97 C98 1.395(11) .
C97 C99 1.450(11) 2_655
C98 C99 1.335(11) .
C99 C97 1.450(11) 2_655
C101 C102 1.403(12) .
C101 C101 1.407(15) 2
C101 C104 1.541(13) .
C102 C103 1.389(12) .
C103 C103 1.405(16) 2
C105 C106 1.146(14) .
C105 C110 1.403(16) .
C105 C108 1.743(14) 2_765
C106 C107 1.465(16) .
C106 C108 1.645(17) 2_765
C107 C107 0.70(2) 2_765
C107 C108 1.096(14) 2_765
C107 C108 1.349(14) .
C108 C108 0.91(2) 2_765
C108 C107 1.096(14) 2_765
C108 C109 1.322(16) 2_765
C108 C109 1.407(15) .
C108 C106 1.645(17) 2_765
C108 C105 1.743(14) 2_765
C108 C110 1.795(18) 2_765
C109 C109 0.61(3) 2_765
C109 C108 1.322(16) 2_765
C109 C110 1.433(18) .
C109 C110 1.82(2) 2_765
C110 C108 1.795(18) 2_765
C110 C109 1.82(2) 2_765
