#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/17/4081788.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_4081788
loop_
_publ_author_name
'Uhl, Werner'
'Tannert, Jens'
'Layh, Marcus'
'Hepp, Alexander'
'Grimme, Stefan'
'Risthaus, Tobias'
_publ_section_title
;
 Cooperative Ge--N Bond Activation in Hydrogallation Products of
 Alkynyl(diethylamino)germanes (Et2N)nGe(C≡CtBu)4--n
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              6770
_journal_paper_doi               10.1021/om400543v
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C45 H70 F2.5 Ga2 Ge'
_chemical_formula_weight         870.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.700(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.832(4)
_cell_length_b                   46.476(19)
_cell_length_c                   10.747(4)
_cell_measurement_reflns_used    9697
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      2.19
_cell_volume                     4728(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Photon 100 CMOS-detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'Venture Mo multilayer optic'
_diffrn_radiation_source         microsource
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       61
_diffrn_reflns_limit_k_min       -61
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            56959
_diffrn_reflns_theta_full        28.06
_diffrn_reflns_theta_max         28.06
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    1.800
_exptl_absorpt_correction_T_max  0.9480
_exptl_absorpt_correction_T_min  0.6823
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.223
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1826
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.620
_refine_diff_density_min         -0.857
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     574
_refine_ls_number_reflns         11361
_refine_ls_number_restraints     177
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0460
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0462P)²+5.1384P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1008
_refine_ls_wR_factor_ref         0.1099
_reflns_number_gt                8566
_reflns_number_total             11361
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400543v_si_002.cif
_cod_data_source_block           sad
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C45 H70 F2.50 Ga2 Ge'
_cod_database_code               4081788
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.22927(3) 0.133038(6) 0.72283(3) 0.02698(8) Uani 1 1 d . . .
C11 C 0.3056(3) 0.11795(6) 0.5873(3) 0.0306(6) Uani 1 1 d . . .
C12 C 0.3993(3) 0.12803(7) 0.5286(3) 0.0380(7) Uani 1 1 d . . .
H12 H 0.4117 0.1156 0.4612 0.046 Uiso 1 1 calc R . .
C13 C 0.4895(4) 0.15453(8) 0.5447(4) 0.0465(9) Uani 1 1 d D . .
C14 C 0.4744(5) 0.17365(9) 0.6548(4) 0.0634(12) Uani 1 1 d D . .
H14A H 0.3775 0.1793 0.6399 0.076 Uiso 1 1 calc R . .
H14B H 0.5324 0.1904 0.6593 0.076 Uiso 1 1 calc R . .
H14C H 0.5039 0.1632 0.7348 0.076 Uiso 1 1 calc R . .
C15 C 0.6433(5) 0.14483(11) 0.5703(6) 0.0895(17) Uani 1 1 d D . .
H15A H 0.6689 0.1334 0.6475 0.107 Uiso 1 1 calc R . .
H15B H 0.7036 0.1614 0.5808 0.107 Uiso 1 1 calc R . .
H15C H 0.6539 0.1336 0.4985 0.107 Uiso 1 1 calc R . .
C16 C 0.4458(6) 0.17170(11) 0.4191(5) 0.0881(17) Uani 1 1 d D . .
H16A H 0.4559 0.1599 0.3488 0.106 Uiso 1 1 calc R . .
H16B H 0.5050 0.1884 0.4261 0.106 Uiso 1 1 calc R . .
H16C H 0.3491 0.1776 0.4034 0.106 Uiso 1 1 calc R . .
Ga1 Ga 0.19944(4) 0.081281(7) 0.52700(3) 0.03267(9) Uani 1 1 d D A .
C01 C 0.3165(4) 0.04529(7) 0.5493(3) 0.0478(9) Uani 1 1 d D . .
C011 C 0.2274(18) 0.0194(3) 0.5816(17) 0.042(4) Uani 0.30(2) 1 d PDU A 1
H01A H 0.1410 0.0175 0.5141 0.051 Uiso 0.30(2) 1 calc PR A 1
H01B H 0.2061 0.0231 0.6622 0.051 Uiso 0.30(2) 1 calc PR A 1
H01C H 0.2809 0.0020 0.5880 0.051 Uiso 0.30(2) 1 calc PR A 1
C012 C 0.343(2) 0.0385(4) 0.4212(14) 0.056(5) Uani 0.30(2) 1 d PDU A 1
H01D H 0.3840 0.0549 0.3912 0.068 Uiso 0.30(2) 1 calc PR A 1
H01E H 0.2549 0.0338 0.3597 0.068 Uiso 0.30(2) 1 calc PR A 1
H01F H 0.4062 0.0224 0.4308 0.068 Uiso 0.30(2) 1 calc PR A 1
C013 C 0.450(2) 0.0468(7) 0.657(2) 0.050(6) Uani 0.30(2) 1 d PDU A 1
H01G H 0.5048 0.0298 0.6565 0.060 Uiso 0.30(2) 1 calc PR A 1
H01H H 0.4265 0.0481 0.7383 0.060 Uiso 0.30(2) 1 calc PR A 1
H01I H 0.5030 0.0634 0.6461 0.060 Uiso 0.30(2) 1 calc PR A 1
C01A C 0.2359(11) 0.01757(15) 0.5173(19) 0.114(5) Uani 0.70(2) 1 d PDU A 2
H01J H 0.1730 0.0188 0.4318 0.137 Uiso 0.70(2) 1 calc PR A 2
H01K H 0.1823 0.0143 0.5784 0.137 Uiso 0.70(2) 1 calc PR A 2
H01L H 0.3010 0.0020 0.5211 0.137 Uiso 0.70(2) 1 calc PR A 2
C01B C 0.4068(18) 0.0492(3) 0.4503(11) 0.100(5) Uani 0.70(2) 1 d PDU A 2
H01M H 0.4647 0.0325 0.4521 0.120 Uiso 0.70(2) 1 calc PR A 2
H01N H 0.4659 0.0659 0.4732 0.120 Uiso 0.70(2) 1 calc PR A 2
H01O H 0.3450 0.0516 0.3649 0.120 Uiso 0.70(2) 1 calc PR A 2
C01C C 0.4224(11) 0.0439(3) 0.6808(9) 0.050(3) Uani 0.70(2) 1 d PDU A 2
H01P H 0.4811 0.0272 0.6851 0.060 Uiso 0.70(2) 1 calc PR A 2
H01Q H 0.3732 0.0427 0.7465 0.060 Uiso 0.70(2) 1 calc PR A 2
H01R H 0.4801 0.0609 0.6941 0.060 Uiso 0.70(2) 1 calc PR A 2
C02 C 0.0200(4) 0.08615(7) 0.3858(3) 0.0458(8) Uani 1 1 d D . .
C021 C -0.0892(10) 0.1052(2) 0.4256(9) 0.057(3) Uani 0.531(14) 1 d PDU A 3
H02A H -0.1695 0.1081 0.3526 0.069 Uiso 0.531(14) 1 calc PR A 3
H02B H -0.0474 0.1235 0.4553 0.069 Uiso 0.531(14) 1 calc PR A 3
H02C H -0.1189 0.0960 0.4937 0.069 Uiso 0.531(14) 1 calc PR A 3
C022 C -0.0556(11) 0.0590(2) 0.3298(12) 0.068(3) Uani 0.531(14) 1 d PDU A 3
H02D H -0.0851 0.0488 0.3957 0.082 Uiso 0.531(14) 1 calc PR A 3
H02E H 0.0070 0.0471 0.2976 0.082 Uiso 0.531(14) 1 calc PR A 3
H02F H -0.1368 0.0638 0.2604 0.082 Uiso 0.531(14) 1 calc PR A 3
C023 C 0.0663(10) 0.1023(3) 0.2811(9) 0.076(4) Uani 0.531(14) 1 d PDU A 3
H02G H 0.1393 0.0916 0.2578 0.091 Uiso 0.531(14) 1 calc PR A 3
H02H H 0.1017 0.1209 0.3130 0.091 Uiso 0.531(14) 1 calc PR A 3
H02I H -0.0129 0.1046 0.2066 0.091 Uiso 0.531(14) 1 calc PR A 3
C02A C -0.0340(14) 0.1166(2) 0.3853(12) 0.063(4) Uani 0.469(14) 1 d PDU A 4
H02J H -0.1151 0.1192 0.3128 0.076 Uiso 0.469(14) 1 calc PR A 4
H02K H 0.0387 0.1298 0.3789 0.076 Uiso 0.469(14) 1 calc PR A 4
H02L H -0.0598 0.1201 0.4639 0.076 Uiso 0.469(14) 1 calc PR A 4
C02B C -0.0893(12) 0.0639(3) 0.3965(15) 0.080(4) Uani 0.469(14) 1 d PDU A 4
H02M H -0.1704 0.0655 0.3232 0.096 Uiso 0.469(14) 1 calc PR A 4
H02N H -0.1172 0.0672 0.4743 0.096 Uiso 0.469(14) 1 calc PR A 4
H02O H -0.0495 0.0450 0.3986 0.096 Uiso 0.469(14) 1 calc PR A 4
C02C C 0.0579(14) 0.0815(3) 0.2570(8) 0.079(4) Uani 0.469(14) 1 d PDU A 4
H02P H 0.0842 0.0618 0.2504 0.095 Uiso 0.469(14) 1 calc PR A 4
H02Q H 0.1355 0.0938 0.2541 0.095 Uiso 0.469(14) 1 calc PR A 4
H02R H -0.0224 0.0861 0.1863 0.095 Uiso 0.469(14) 1 calc PR A 4
C21 C 0.1182(3) 0.09954(7) 0.7381(3) 0.0346(7) Uani 1 1 d . . .
C22 C 0.0528(4) 0.07929(7) 0.7618(3) 0.0409(8) Uani 1 1 d . B .
C23 C -0.0313(4) 0.05701(8) 0.8044(4) 0.0544(10) Uani 1 1 d D . .
C24 C 0.0370(14) 0.0543(3) 0.9511(9) 0.092(4) Uani 0.520(10) 1 d PDU B 1
H24A H 0.0233 0.0719 0.9931 0.111 Uiso 0.520(10) 1 calc PR B 1
H24B H 0.1363 0.0507 0.9667 0.111 Uiso 0.520(10) 1 calc PR B 1
H24C H -0.0062 0.0387 0.9849 0.111 Uiso 0.520(10) 1 calc PR B 1
C25 C -0.1803(9) 0.0636(3) 0.7643(14) 0.084(4) Uani 0.520(10) 1 d PDU B 1
H25A H -0.2328 0.0475 0.7833 0.101 Uiso 0.520(10) 1 calc PR B 1
H25B H -0.2086 0.0673 0.6730 0.101 Uiso 0.520(10) 1 calc PR B 1
H25C H -0.1986 0.0803 0.8098 0.101 Uiso 0.520(10) 1 calc PR B 1
C26 C 0.0071(13) 0.02679(16) 0.7514(12) 0.087(4) Uani 0.520(10) 1 d PDU B 1
H26A H -0.0420 0.0116 0.7818 0.105 Uiso 0.520(10) 1 calc PR B 1
H26B H 0.1071 0.0236 0.7819 0.105 Uiso 0.520(10) 1 calc PR B 1
H26C H -0.0206 0.0270 0.6586 0.105 Uiso 0.520(10) 1 calc PR B 1
C24A C 0.0478(12) 0.0377(3) 0.9043(13) 0.081(4) Uani 0.480(10) 1 d PDU B 2
H24D H 0.0846 0.0483 0.9829 0.098 Uiso 0.480(10) 1 calc PR B 2
H24E H 0.1245 0.0294 0.8773 0.098 Uiso 0.480(10) 1 calc PR B 2
H24F H -0.0134 0.0227 0.9186 0.098 Uiso 0.480(10) 1 calc PR B 2
C25A C -0.1521(10) 0.0719(2) 0.8550(12) 0.061(3) Uani 0.480(10) 1 d PDU B 2
H25D H -0.2019 0.0856 0.7921 0.073 Uiso 0.480(10) 1 calc PR B 2
H25E H -0.1103 0.0816 0.9351 0.073 Uiso 0.480(10) 1 calc PR B 2
H25F H -0.2168 0.0575 0.8684 0.073 Uiso 0.480(10) 1 calc PR B 2
C26A C -0.1226(12) 0.0401(2) 0.6800(10) 0.077(4) Uani 0.480(10) 1 d PDU B 2
H26D H -0.1785 0.0256 0.7066 0.093 Uiso 0.480(10) 1 calc PR B 2
H26E H -0.0604 0.0311 0.6364 0.093 Uiso 0.480(10) 1 calc PR B 2
H26F H -0.1836 0.0534 0.6225 0.093 Uiso 0.480(10) 1 calc PR B 2
C31 C 0.2995(3) 0.15141(6) 0.8906(3) 0.0287(6) Uani 1 1 d . . .
C32 C 0.3958(3) 0.14335(7) 0.9983(3) 0.0355(7) Uani 1 1 d . . .
H32 H 0.4027 0.1563 1.0692 0.043 Uiso 1 1 calc R . .
C33 C 0.4965(4) 0.11807(7) 1.0323(3) 0.0409(8) Uani 1 1 d . . .
C34 C 0.4605(6) 0.10127(10) 1.1420(5) 0.0857(16) Uani 1 1 d . . .
H34A H 0.4577 0.1142 1.2108 0.103 Uiso 1 1 calc R . .
H34B H 0.5312 0.0868 1.1738 0.103 Uiso 1 1 calc R . .
H34C H 0.3700 0.0922 1.1101 0.103 Uiso 1 1 calc R . .
C35 C 0.6441(4) 0.13009(11) 1.0824(6) 0.0867(17) Uani 1 1 d . . .
H35A H 0.6719 0.1391 1.0128 0.104 Uiso 1 1 calc R . .
H35B H 0.7085 0.1148 1.1174 0.104 Uiso 1 1 calc R . .
H35C H 0.6455 0.1440 1.1487 0.104 Uiso 1 1 calc R . .
C36 C 0.4893(5) 0.09815(10) 0.9199(4) 0.0698(14) Uani 1 1 d . . .
H36A H 0.3940 0.0916 0.8855 0.084 Uiso 1 1 calc R . .
H36B H 0.5503 0.0819 0.9487 0.084 Uiso 1 1 calc R . .
H36C H 0.5192 0.1083 0.8540 0.084 Uiso 1 1 calc R . .
Ga2 Ga 0.17161(4) 0.184505(7) 0.89419(3) 0.03072(9) Uani 1 1 d D . .
C03 C 0.2508(4) 0.22450(7) 0.9026(3) 0.0423(8) Uani 1 1 d D . .
C031 C 0.3750(4) 0.22484(9) 1.0249(4) 0.0590(11) Uani 1 1 d D . .
H03A H 0.4442 0.2109 1.0165 0.071 Uiso 1 1 calc R . .
H03B H 0.3416 0.2201 1.0985 0.071 Uiso 1 1 calc R . .
H03C H 0.4169 0.2436 1.0362 0.071 Uiso 1 1 calc R . .
C032 C 0.1438(4) 0.24743(8) 0.9159(5) 0.0705(14) Uani 1 1 d D . .
H03D H 0.1910 0.2656 0.9373 0.085 Uiso 1 1 calc R . .
H03E H 0.1015 0.2419 0.9830 0.085 Uiso 1 1 calc R . .
H03F H 0.0717 0.2492 0.8356 0.085 Uiso 1 1 calc R . .
C033 C 0.3078(6) 0.23190(9) 0.7904(5) 0.0857(17) Uani 1 1 d D . .
H03G H 0.3575 0.2499 0.8069 0.103 Uiso 1 1 calc R . .
H03H H 0.2311 0.2335 0.7134 0.103 Uiso 1 1 calc R . .
H03I H 0.3713 0.2170 0.7792 0.103 Uiso 1 1 calc R . .
C04 C 0.0077(4) 0.17434(8) 0.9620(4) 0.0468(9) Uani 1 1 d . . .
C041 C -0.1274(4) 0.19090(9) 0.8995(5) 0.0630(11) Uani 1 1 d . . .
H04A H -0.1979 0.1864 0.9431 0.076 Uiso 1 1 calc R . .
H04B H -0.1611 0.1855 0.8101 0.076 Uiso 1 1 calc R . .
H04C H -0.1082 0.2112 0.9057 0.076 Uiso 1 1 calc R . .
C042 C -0.0267(5) 0.14208(9) 0.9389(5) 0.0693(13) Uani 1 1 d . . .
H04D H -0.0998 0.1368 0.9783 0.083 Uiso 1 1 calc R . .
H04E H 0.0565 0.1309 0.9763 0.083 Uiso 1 1 calc R . .
H04F H -0.0581 0.1384 0.8477 0.083 Uiso 1 1 calc R . .
C043 C 0.0535(6) 0.18003(14) 1.1062(4) 0.0937(18) Uani 1 1 d . . .
H04G H 0.0677 0.2003 1.1213 0.112 Uiso 1 1 calc R . .
H04H H 0.1401 0.1700 1.1441 0.112 Uiso 1 1 calc R . .
H04I H -0.0184 0.1734 1.1445 0.112 Uiso 1 1 calc R . .
C41 C 0.0904(3) 0.16258(6) 0.6483(3) 0.0313(6) Uani 1 1 d . . .
C42 C 0.0087(3) 0.18084(6) 0.5938(3) 0.0306(6) Uani 1 1 d . . .
C43 C -0.0950(3) 0.19976(6) 0.5130(3) 0.0301(6) Uani 1 1 d . . .
C44 C -0.1575(3) 0.22244(7) 0.5622(3) 0.0387(7) Uani 1 1 d . . .
H44 H -0.1298 0.2265 0.6532 0.046 Uiso 1 1 calc R . .
C45 C -0.2590(4) 0.23908(7) 0.4799(4) 0.0451(8) Uani 1 1 d . . .
H45 H -0.3025 0.2545 0.5142 0.054 Uiso 1 1 calc R . .
C46 C -0.2987(4) 0.23379(8) 0.3490(4) 0.0493(9) Uani 1 1 d . . .
H46 H -0.3690 0.2456 0.2925 0.059 Uiso 1 1 calc R . .
C47 C -0.2377(4) 0.21152(8) 0.2994(4) 0.0525(10) Uani 1 1 d . . .
H47 H -0.2658 0.2077 0.2082 0.063 Uiso 1 1 calc R . .
C48 C -0.1361(4) 0.19455(7) 0.3804(3) 0.0430(8) Uani 1 1 d . . .
H48 H -0.0935 0.1791 0.3451 0.052 Uiso 1 1 calc R . .
C101 C 0.3715(6) -0.01303(10) -0.0399(5) 0.0697(13) Uani 1 1 d . . .
F3 F 0.2489(4) -0.02583(9) -0.0781(4) 0.1079(13) Uani 0.83 1 d P . .
C102 C 0.3993(6) 0.00358(10) 0.0668(5) 0.0688(12) Uani 1 1 d . . .
F2 F 0.3037(4) 0.00698(7) 0.1327(3) 0.0844(10) Uani 0.83 1 d P . .
C103 C 0.5292(7) 0.01659(9) 0.1063(4) 0.0720(14) Uani 1 1 d . . .
F1 F 0.5597(6) 0.03165(9) 0.2098(4) 0.1249(16) Uani 0.83 1 d P . .
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'
Ge Ge 0.1547 1.8001 '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
C21 Ge1 C11 96.58(13) . .
C21 Ge1 C31 110.00(13) . .
C11 Ge1 C31 137.87(12) . .
C21 Ge1 C41 104.66(13) . .
C11 Ge1 C41 108.44(12) . .
C31 Ge1 C41 96.04(12) . .
C12 C11 Ge1 133.2(2) . .
C12 C11 Ga1 120.6(2) . .
Ge1 C11 Ga1 106.01(14) . .
C11 C12 C13 134.1(3) . .
C11 C12 H12 113.0 . .
C13 C12 H12 113.0 . .
C12 C13 C14 113.0(3) . .
C12 C13 C16 108.1(3) . .
C14 C13 C16 108.6(4) . .
C12 C13 C15 107.7(3) . .
C14 C13 C15 109.5(4) . .
C16 C13 C15 109.9(4) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C02 Ga1 C01 122.90(14) . .
C02 Ga1 C11 114.95(13) . .
C01 Ga1 C11 115.90(14) . .
C013 C01 C012 112.9(12) . .
C013 C01 C01A 120.9(13) . .
C012 C01 C01A 79.6(8) . .
C013 C01 C01C 16.7(13) . .
C012 C01 C01C 127.0(10) . .
C01A C01 C01C 111.3(7) . .
C013 C01 C01B 89.0(11) . .
C012 C01 C01B 30.0(6) . .
C01A C01 C01B 107.7(6) . .
C01C C01 C01B 105.4(6) . .
C013 C01 C011 106.6(12) . .
C012 C01 C011 106.5(7) . .
C01A C01 C011 27.0(6) . .
C01C C01 C011 92.5(9) . .
C01B C01 C011 133.3(6) . .
C013 C01 Ga1 114.0(12) . .
C012 C01 Ga1 107.6(8) . .
C01A C01 Ga1 115.9(5) . .
C01C C01 Ga1 112.0(5) . .
C01B C01 Ga1 103.5(3) . .
C011 C01 Ga1 109.0(6) . .
C01 C011 H01A 109.5 . .
C01 C011 H01B 109.5 . .
C01 C011 H01C 109.5 . .
C01 C012 H01D 109.5 . .
C01 C012 H01E 109.5 . .
C01 C012 H01F 109.5 . .
C01 C013 H01G 109.5 . .
C01 C013 H01H 109.5 . .
C01 C013 H01I 109.5 . .
C01 C01A H01J 109.5 . .
C01 C01A H01K 109.5 . .
H01J C01A H01K 109.5 . .
C01 C01A H01L 109.5 . .
H01J C01A H01L 109.5 . .
H01K C01A H01L 109.5 . .
C01 C01B H01M 109.5 . .
C01 C01B H01N 109.5 . .
H01M C01B H01N 109.5 . .
C01 C01B H01O 109.5 . .
H01M C01B H01O 109.5 . .
H01N C01B H01O 109.5 . .
C01 C01C H01P 109.5 . .
C01 C01C H01Q 109.5 . .
H01P C01C H01Q 109.5 . .
C01 C01C H01R 109.5 . .
H01P C01C H01R 109.5 . .
H01Q C01C H01R 109.5 . .
C022 C02 C02A 130.5(6) . .
C022 C02 C02B 34.5(5) . .
C02A C02 C02B 112.5(7) . .
C022 C02 C023 109.4(6) . .
C02A C02 C023 73.2(6) . .
C02B C02 C023 138.7(6) . .
C022 C02 C021 106.7(6) . .
C02A C02 C021 36.0(5) . .
C02B C02 C021 79.0(7) . .
C023 C02 C021 107.0(6) . .
C022 C02 C02C 74.8(6) . .
C02A C02 C02C 107.3(6) . .
C02B C02 C02C 108.7(7) . .
C023 C02 C02C 38.0(5) . .
C021 C02 C02C 133.2(6) . .
C022 C02 Ga1 116.5(5) . .
C02A C02 Ga1 110.2(4) . .
C02B C02 Ga1 111.2(5) . .
C023 C02 Ga1 103.7(4) . .
C021 C02 Ga1 113.1(3) . .
C02C C02 Ga1 106.7(5) . .
C02 C021 H02A 109.5 . .
C02 C021 H02B 109.5 . .
C02 C021 H02C 109.5 . .
C02 C022 H02D 109.5 . .
C02 C022 H02E 109.5 . .
C02 C022 H02F 109.5 . .
C02 C023 H02G 109.5 . .
C02 C023 H02H 109.5 . .
C02 C023 H02I 109.5 . .
C02 C02A H02J 109.5 . .
C02 C02A H02K 109.5 . .
C02 C02A H02L 109.5 . .
C02 C02B H02M 109.5 . .
C02 C02B H02N 109.5 . .
C02 C02B H02O 109.5 . .
C02 C02C H02P 109.5 . .
C02 C02C H02Q 109.5 . .
C02 C02C H02R 109.5 . .
C22 C21 Ge1 172.8(3) . .
C21 C22 C23 172.3(4) . .
C25 C23 C24A 130.4(7) . .
C25 C23 C22 111.6(5) . .
C24A C23 C22 115.5(6) . .
C25 C23 C24 116.6(8) . .
C24A C23 C24 36.6(6) . .
C22 C23 C24 104.4(5) . .
C25 C23 C25A 38.7(5) . .
C24A C23 C25A 108.4(7) . .
C22 C23 C25A 109.5(4) . .
C24 C23 C25A 81.1(7) . .
C25 C23 C26 113.4(7) . .
C24A C23 C26 65.8(7) . .
C22 C23 C26 107.5(4) . .
C24 C23 C26 102.3(7) . .
C25A C23 C26 140.7(6) . .
C25 C23 C26A 63.9(7) . .
C24A C23 C26A 112.4(7) . .
C22 C23 C26A 108.7(4) . .
C24 C23 C26A 143.6(6) . .
C25A C23 C26A 101.4(6) . .
C26 C23 C26A 53.4(6) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
C23 C26 H26A 109.5 . .
C23 C26 H26B 109.5 . .
C23 C26 H26C 109.5 . .
C23 C24A H24D 109.5 . .
C23 C24A H24E 109.5 . .
H24D C24A H24E 109.5 . .
C23 C24A H24F 109.5 . .
H24D C24A H24F 109.5 . .
H24E C24A H24F 109.5 . .
C23 C25A H25D 109.5 . .
C23 C25A H25E 109.5 . .
H25D C25A H25E 109.5 . .
C23 C25A H25F 109.5 . .
H25D C25A H25F 109.5 . .
H25E C25A H25F 109.5 . .
C23 C26A H26D 109.5 . .
C23 C26A H26E 109.5 . .
H26D C26A H26E 109.5 . .
C23 C26A H26F 109.5 . .
H26D C26A H26F 109.5 . .
H26E C26A H26F 109.5 . .
C32 C31 Ge1 132.2(2) . .
C32 C31 Ga2 120.2(2) . .
Ge1 C31 Ga2 106.80(13) . .
C31 C32 C33 133.6(3) . .
C31 C32 H32 113.2 . .
C33 C32 H32 113.2 . .
C36 C33 C35 110.2(4) . .
C36 C33 C32 113.4(3) . .
C35 C33 C32 107.5(3) . .
C36 C33 C34 109.4(4) . .
C35 C33 C34 108.3(4) . .
C32 C33 C34 108.0(3) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C33 C36 H36A 109.5 . .
C33 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C33 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C31 Ga2 C04 113.60(14) . .
C31 Ga2 C03 118.43(14) . .
C04 Ga2 C03 122.96(15) . .
C033 C03 C032 109.3(4) . .
C033 C03 C031 107.6(4) . .
C032 C03 C031 108.7(3) . .
C033 C03 Ga2 113.6(2) . .
C032 C03 Ga2 112.4(3) . .
C031 C03 Ga2 104.9(2) . .
C03 C031 H03A 109.5 . .
C03 C031 H03B 109.5 . .
H03A C031 H03B 109.5 . .
C03 C031 H03C 109.5 . .
H03A C031 H03C 109.5 . .
H03B C031 H03C 109.5 . .
C03 C032 H03D 109.5 . .
C03 C032 H03E 109.5 . .
H03D C032 H03E 109.5 . .
C03 C032 H03F 109.5 . .
H03D C032 H03F 109.5 . .
H03E C032 H03F 109.5 . .
C03 C033 H03G 109.5 . .
C03 C033 H03H 109.5 . .
H03G C033 H03H 109.5 . .
C03 C033 H03I 109.5 . .
H03G C033 H03I 109.5 . .
H03H C033 H03I 109.5 . .
C043 C04 C041 110.2(4) . .
C043 C04 C042 109.0(4) . .
C041 C04 C042 107.1(4) . .
C043 C04 Ga2 106.6(3) . .
C041 C04 Ga2 114.4(3) . .
C042 C04 Ga2 109.6(2) . .
C04 C041 H04A 109.5 . .
C04 C041 H04B 109.5 . .
H04A C041 H04B 109.5 . .
C04 C041 H04C 109.5 . .
H04A C041 H04C 109.5 . .
H04B C041 H04C 109.5 . .
C04 C042 H04D 109.5 . .
C04 C042 H04E 109.5 . .
H04D C042 H04E 109.5 . .
C04 C042 H04F 109.5 . .
H04D C042 H04F 109.5 . .
H04E C042 H04F 109.5 . .
C04 C043 H04G 109.5 . .
C04 C043 H04H 109.5 . .
H04G C043 H04H 109.5 . .
C04 C043 H04I 109.5 . .
H04G C043 H04I 109.5 . .
H04H C043 H04I 109.5 . .
C42 C41 Ge1 174.8(3) . .
C41 C42 C43 171.6(3) . .
C48 C43 C44 118.9(3) . .
C48 C43 C42 118.1(3) . .
C44 C43 C42 123.0(3) . .
C45 C44 C43 119.8(3) . .
C45 C44 H44 120.1 . .
C43 C44 H44 120.1 . .
C46 C45 C44 120.8(3) . .
C46 C45 H45 119.6 . .
C44 C45 H45 119.6 . .
C47 C46 C45 119.9(3) . .
C47 C46 H46 120.1 . .
C45 C46 H46 120.1 . .
C46 C47 C48 120.2(4) . .
C46 C47 H47 119.9 . .
C48 C47 H47 119.9 . .
C47 C48 C43 120.4(3) . .
C47 C48 H48 119.8 . .
C43 C48 H48 119.8 . .
F3 C101 C102 119.1(5) . .
F3 C101 C103 120.7(5) . 3_655
C102 C101 C103 120.2(5) . 3_655
F2 C102 C101 120.7(5) . .
F2 C102 C103 121.0(5) . .
C101 C102 C103 118.3(5) . .
F1 C103 C101 119.2(6) . 3_655
F1 C103 C102 119.3(6) . .
C101 C103 C102 121.5(5) 3_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 C21 1.934(3) .
Ge1 C11 1.940(3) .
Ge1 C31 1.945(3) .
Ge1 C41 1.949(3) .
C11 C12 1.335(4) .
C11 Ga1 2.012(3) .
C12 C13 1.500(5) .
C12 H12 0.9600 .
C13 C14 1.519(5) .
C13 C16 1.527(6) .
C13 C15 1.529(5) .
C14 H14A 0.9599 .
C14 H14B 0.9599 .
C14 H14C 0.9599 .
C15 H15A 0.9599 .
C15 H15B 0.9599 .
C15 H15C 0.9599 .
C16 H16A 0.9599 .
C16 H16B 0.9599 .
C16 H16C 0.9599 .
Ga1 C02 2.004(3) .
Ga1 C01 2.007(3) .
C01 C013 1.498(13) .
C01 C012 1.502(12) .
C01 C01A 1.502(7) .
C01 C01C 1.513(8) .
C01 C01B 1.570(9) .
C01 C011 1.580(11) .
C011 H01A 0.9599 .
C011 H01B 0.9599 .
C011 H01C 0.9599 .
C012 H01D 0.9599 .
C012 H01E 0.9599 .
C012 H01F 0.9599 .
C013 H01G 0.9599 .
C013 H01H 0.9599 .
C013 H01I 0.9599 .
C01A H01J 0.9599 .
C01A H01K 0.9599 .
C01A H01L 0.9599 .
C01B H01M 0.9599 .
C01B H01N 0.9599 .
C01B H01O 0.9599 .
C01C H01P 0.9599 .
C01C H01Q 0.9599 .
C01C H01R 0.9599 .
C02 C022 1.506(8) .
C02 C02A 1.510(8) .
C02 C02B 1.518(9) .
C02 C023 1.521(8) .
C02 C021 1.539(8) .
C02 C02C 1.543(9) .
C021 H02A 0.9599 .
C021 H02B 0.9599 .
C021 H02C 0.9599 .
C022 H02D 0.9599 .
C022 H02E 0.9599 .
C022 H02F 0.9599 .
C023 H02G 0.9599 .
C023 H02H 0.9599 .
C023 H02I 0.9599 .
C02A H02J 0.9599 .
C02A H02K 0.9599 .
C02A H02L 0.9599 .
C02B H02M 0.9599 .
C02B H02N 0.9599 .
C02B H02O 0.9599 .
C02C H02P 0.9599 .
C02C H02Q 0.9599 .
C02C H02R 0.9599 .
C21 C22 1.205(4) .
C22 C23 1.473(5) .
C23 C25 1.443(9) .
C23 C24A 1.452(9) .
C23 C24 1.543(10) .
C23 C25A 1.592(9) .
C23 C26 1.599(9) .
C23 C26A 1.600(9) .
C24 H24A 0.9599 .
C24 H24B 0.9599 .
C24 H24C 0.9599 .
C25 H25A 0.9599 .
C25 H25B 0.9599 .
C25 H25C 0.9599 .
C26 H26A 0.9599 .
C26 H26B 0.9599 .
C26 H26C 0.9599 .
C24A H24D 0.9599 .
C24A H24E 0.9599 .
C24A H24F 0.9599 .
C25A H25D 0.9599 .
C25A H25E 0.9599 .
C25A H25F 0.9599 .
C26A H26D 0.9599 .
C26A H26E 0.9599 .
C26A H26F 0.9599 .
C31 C32 1.335(4) .
C31 Ga2 1.994(3) .
C32 C33 1.516(4) .
C32 H32 0.9600 .
C33 C36 1.508(5) .
C33 C35 1.511(6) .
C33 C34 1.534(6) .
C34 H34A 0.9599 .
C34 H34B 0.9599 .
C34 H34C 0.9599 .
C35 H35A 0.9599 .
C35 H35B 0.9599 .
C35 H35C 0.9599 .
C36 H36A 0.9599 .
C36 H36B 0.9599 .
C36 H36C 0.9599 .
Ga2 C04 1.997(4) .
Ga2 C03 2.008(3) .
C03 C033 1.501(5) .
C03 C032 1.531(5) .
C03 C031 1.533(5) .
C031 H03A 0.9599 .
C031 H03B 0.9599 .
C031 H03C 0.9599 .
C032 H03D 0.9599 .
C032 H03E 0.9599 .
C032 H03F 0.9599 .
C033 H03G 0.9599 .
C033 H03H 0.9599 .
C033 H03I 0.9599 .
C04 C043 1.516(6) .
C04 C041 1.525(5) .
C04 C042 1.542(6) .
C041 H04A 0.9599 .
C041 H04B 0.9599 .
C041 H04C 0.9599 .
C042 H04D 0.9599 .
C042 H04E 0.9599 .
C042 H04F 0.9599 .
C043 H04G 0.9599 .
C043 H04H 0.9599 .
C043 H04I 0.9599 .
C41 C42 1.206(4) .
C42 C43 1.445(4) .
C43 C48 1.394(4) .
C43 C44 1.394(4) .
C44 C45 1.378(5) .
C44 H44 0.9600 .
C45 C46 1.376(5) .
C45 H45 0.9600 .
C46 C47 1.375(5) .
C46 H46 0.9600 .
C47 C48 1.381(5) .
C47 H47 0.9600 .
C48 H48 0.9600 .
C101 F3 1.307(6) .
C101 C102 1.347(7) .
C101 C103 1.366(7) 3_655
C102 F2 1.331(6) .
C102 C103 1.372(7) .
C103 F1 1.280(6) .
C103 C101 1.366(7) 3_655
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_4
C21 Ge1 C11 C12 -175.6(3) . .
C31 Ge1 C11 C12 -45.8(4) . .
C41 Ge1 C11 C12 76.5(3) . .
C21 Ge1 C11 Ga1 9.52(15) . .
C31 Ge1 C11 Ga1 139.36(15) . .
C41 Ge1 C11 Ga1 -98.36(15) . .
Ge1 C11 C12 C13 2.8(6) . .
Ga1 C11 C12 C13 177.0(3) . .
C11 C12 C13 C14 2.3(6) . .
C11 C12 C13 C16 -118.0(5) . .
C11 C12 C13 C15 123.3(4) . .
C12 C11 Ga1 C02 -87.5(3) . .
Ge1 C11 Ga1 C02 88.09(17) . .
C12 C11 Ga1 C01 65.6(3) . .
Ge1 C11 Ga1 C01 -118.80(16) . .
C02 Ga1 C01 C013 177.3(12) . .
C11 Ga1 C01 C013 26.6(13) . .
C02 Ga1 C01 C012 51.4(8) . .
C11 Ga1 C01 C012 -99.3(8) . .
C02 Ga1 C01 C01A -35.4(9) . .
C11 Ga1 C01 C01A 173.9(9) . .
C02 Ga1 C01 C01C -164.7(6) . .
C11 Ga1 C01 C01C 44.6(6) . .
C02 Ga1 C01 C01B 82.3(8) . .
C11 Ga1 C01 C01B -68.5(8) . .
C02 Ga1 C01 C011 -63.7(7) . .
C11 Ga1 C01 C011 145.5(7) . .
C01 Ga1 C02 C022 23.7(7) . .
C11 Ga1 C02 C022 174.7(6) . .
C01 Ga1 C02 C02A -173.4(8) . .
C11 Ga1 C02 C02A -22.4(8) . .
C01 Ga1 C02 C02B 61.1(8) . .
C11 Ga1 C02 C02B -147.9(8) . .
C01 Ga1 C02 C023 -96.6(7) . .
C11 Ga1 C02 C023 54.4(7) . .
C01 Ga1 C02 C021 147.8(6) . .
C11 Ga1 C02 C021 -61.1(6) . .
C01 Ga1 C02 C02C -57.3(7) . .
C11 Ga1 C02 C02C 93.7(7) . .
C11 Ge1 C21 C22 144(2) . .
C31 Ge1 C21 C22 -3(2) . .
C41 Ge1 C21 C22 -105(2) . .
Ge1 C21 C22 C23 35(5) . .
C21 C22 C23 C25 73(3) . .
C21 C22 C23 C24A -91(3) . .
C21 C22 C23 C24 -54(3) . .
C21 C22 C23 C25A 31(3) . .
C21 C22 C23 C26 -162(3) . .
C21 C22 C23 C26A 141(3) . .
C21 Ge1 C31 C32 69.5(3) . .
C11 Ge1 C31 C32 -56.3(4) . .
C41 Ge1 C31 C32 177.5(3) . .
C21 Ge1 C31 Ga2 -99.40(15) . .
C11 Ge1 C31 Ga2 134.86(16) . .
C41 Ge1 C31 Ga2 8.62(16) . .
Ge1 C31 C32 C33 5.0(6) . .
Ga2 C31 C32 C33 172.6(3) . .
C31 C32 C33 C36 1.9(6) . .
C31 C32 C33 C35 123.9(4) . .
C31 C32 C33 C34 -119.5(5) . .
C32 C31 Ga2 C04 -80.5(3) . .
Ge1 C31 Ga2 C04 89.95(18) . .
C32 C31 Ga2 C03 75.2(3) . .
Ge1 C31 Ga2 C03 -114.32(16) . .
C31 Ga2 C03 C033 59.9(4) . .
C04 Ga2 C03 C033 -146.8(3) . .
C31 Ga2 C03 C032 -175.3(3) . .
C04 Ga2 C03 C032 -22.0(3) . .
C31 Ga2 C03 C031 -57.4(3) . .
C04 Ga2 C03 C031 96.0(3) . .
C31 Ga2 C04 C043 91.7(3) . .
C03 Ga2 C04 C043 -62.8(4) . .
C31 Ga2 C04 C041 -146.3(3) . .
C03 Ga2 C04 C041 59.2(4) . .
C31 Ga2 C04 C042 -26.1(3) . .
C03 Ga2 C04 C042 179.4(3) . .
C21 Ge1 C41 C42 -116(3) . .
C11 Ge1 C41 C42 -14(3) . .
C31 Ge1 C41 C42 131(3) . .
Ge1 C41 C42 C43 55(5) . .
C41 C42 C43 C48 -20(2) . .
C41 C42 C43 C44 158(2) . .
C48 C43 C44 C45 0.6(5) . .
C42 C43 C44 C45 -178.0(3) . .
C43 C44 C45 C46 -0.7(5) . .
C44 C45 C46 C47 0.6(6) . .
C45 C46 C47 C48 -0.4(6) . .
C46 C47 C48 C43 0.3(6) . .
C44 C43 C48 C47 -0.4(5) . .
C42 C43 C48 C47 178.2(3) . .
F3 C101 C102 F2 0.0(7) . .
C103 C101 C102 F2 -179.4(4) 3_655 .
F3 C101 C102 C103 179.3(4) . .
C103 C101 C102 C103 -0.2(7) 3_655 .
F2 C102 C103 F1 1.6(7) . .
C101 C102 C103 F1 -177.6(4) . .
F2 C102 C103 C101 179.4(4) . 3_655
C101 C102 C103 C101 0.2(7) . 3_655
