#------------------------------------------------------------------------------
#$Date: 2016-04-05 20:48:34 +0300 (Tue, 05 Apr 2016) $
#$Revision: 181730 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/73/7037334.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_7037334
loop_
_publ_author_name
'Honacker, Christian'
'Qu, Zheng-Wang'
'Tannert, Jens'
'Layh, Marcus'
'Hepp, Alexander'
'Grimme, Stefan'
'Uhl, Werner'
_publ_section_title
;
 Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond
 activation, Ge-H bond formation and chlorine-tert-butyl exchange via a
 transient germyl cation.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6159
_journal_page_last               6174
_journal_paper_doi               10.1039/c5dt03918e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C38 H63 Al F Ge'
_chemical_formula_weight         638.45
_chemical_name_systematic
;
 ?
;
_chemical_properties_physical    'Air-sensitive, Hygroscopic'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-09-30 deposited with the CCDC.
2015-11-19 downloaded from the CCDC.
;
_cell_angle_alpha                103.3850(10)
_cell_angle_beta                 104.9040(10)
_cell_angle_gamma                94.4040(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2946(2)
_cell_length_b                   11.2323(2)
_cell_length_c                   17.7822(3)
_cell_measurement_reflns_used    9914
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.265
_cell_measurement_theta_min      2.589
_cell_volume                     1912.61(6)
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0347
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            30166
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.306
_diffrn_reflns_theta_min         2.906
_diffrn_source                   microsource
_exptl_absorpt_coefficient_mu    0.851
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6162
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.109
_exptl_crystal_description       plate
_exptl_crystal_F_000             690
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.845
_refine_diff_density_min         -0.540
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     422
_refine_ls_number_reflns         9462
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0382
_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)+(0.0478P)²+1.2107P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0945
_refine_ls_wR_factor_ref         0.0985
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8255
_reflns_number_total             9462
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt03918e2.cif
_cod_data_source_block           sad
_cod_depositor_comments
'Adding full bibliography for 7037325--7037335.cif.'
_cod_database_code               7037334
_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   0.790
_shelx_estimated_absorpt_t_max   0.920
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.42594(2) 0.48351(2) 0.27465(2) 0.01877(6) Uani 1 1 d . . . . .
H1 H 0.359(2) 0.494(2) 0.3358(14) 0.036(6) Uiso 1 1 d . . . . .
C11 C 0.48541(19) 0.31952(18) 0.26566(10) 0.0235(4) Uani 1 1 d . . . . .
C12 C 0.53584(19) 0.22599(18) 0.26653(10) 0.0234(4) Uani 1 1 d . . . . .
C13 C 0.6058(2) 0.11743(18) 0.27551(11) 0.0274(4) Uani 1 1 d . . . . .
C14 C 0.6731(3) 0.0781(3) 0.20839(14) 0.0472(6) Uani 1 1 d . . . . .
H14A H 0.6038 0.0563 0.1561 0.057 Uiso 1 1 calc R U . . .
H14B H 0.7183 0.0061 0.2155 0.057 Uiso 1 1 calc R U . . .
H14C H 0.7402 0.1464 0.2105 0.057 Uiso 1 1 calc R U . . .
C15 C 0.5050(3) 0.0100(3) 0.2739(2) 0.0649(9) Uani 1 1 d . . . . .
H15A H 0.4609 0.0356 0.3166 0.078 Uiso 1 1 calc R U . . .
H15B H 0.5529 -0.0599 0.2826 0.078 Uiso 1 1 calc R U . . .
H15C H 0.4360 -0.0149 0.2214 0.078 Uiso 1 1 calc R U . . .
C16 C 0.7145(3) 0.1558(3) 0.35667(15) 0.0610(9) Uani 1 1 d . . . . .
H16A H 0.7830 0.2208 0.3559 0.073 Uiso 1 1 calc R U . . .
H16B H 0.7578 0.0841 0.3667 0.073 Uiso 1 1 calc R U . . .
H16C H 0.6724 0.1872 0.3995 0.073 Uiso 1 1 calc R U . . .
C21 C 0.59003(18) 0.60735(16) 0.31103(9) 0.0201(3) Uani 1 1 d . . . . .
C22 C 0.6197(2) 0.70097(18) 0.38397(10) 0.0263(4) Uani 1 1 d . . . . .
C221 C 0.5259(3) 0.7155(2) 0.43837(13) 0.0432(6) Uani 1 1 d D U . . .
H221 H 0.4378 0.6757 0.4040 0.052 Uiso 1 1 calc R U . A 1
C222 C 0.5099(9) 0.8531(5) 0.4682(6) 0.049(2) Uani 0.499(13) 1 d D U P B 1
H22A H 0.4374 0.8585 0.4931 0.058 Uiso 0.499(13) 1 calc R U P B 1
H22B H 0.4894 0.8890 0.4233 0.058 Uiso 0.499(13) 1 calc R U P B 1
H22C H 0.5930 0.8970 0.5067 0.058 Uiso 0.499(13) 1 calc R U P B 1
C223 C 0.5580(7) 0.6504(7) 0.5014(4) 0.0462(17) Uani 0.499(13) 1 d D U P B 1
H22D H 0.5596 0.5648 0.4775 0.055 Uiso 0.499(13) 1 calc R U P B 1
H22E H 0.4901 0.6569 0.5298 0.055 Uiso 0.499(13) 1 calc R U P B 1
H22F H 0.6453 0.6866 0.5383 0.055 Uiso 0.499(13) 1 calc R U P B 1
C22A C 0.4648(15) 0.8304(11) 0.4455(7) 0.099(4) Uani 0.501(13) 1 d D U P B 2
H22G H 0.5335 0.8994 0.4765 0.119 Uiso 0.501(13) 1 calc R U P B 2
H22H H 0.3949 0.8256 0.4719 0.119 Uiso 0.501(13) 1 calc R U P B 2
H22I H 0.4262 0.8412 0.3927 0.119 Uiso 0.501(13) 1 calc R U P B 2
C22B C 0.6094(11) 0.7173(13) 0.5268(4) 0.079(3) Uani 0.501(13) 1 d D U P B 2
H22J H 0.6690 0.7943 0.5511 0.095 Uiso 0.501(13) 1 calc R U P B 2
H22K H 0.6620 0.6502 0.5248 0.095 Uiso 0.501(13) 1 calc R U P B 2
H22L H 0.5478 0.7083 0.5582 0.095 Uiso 0.501(13) 1 calc R U P B 2
C23 C 0.7380(2) 0.78427(18) 0.40731(10) 0.0276(4) Uani 1 1 d . . . . .
H23 H 0.7576 0.8462 0.4568 0.033 Uiso 1 1 calc R U . . .
C24 C 0.8293(2) 0.78129(18) 0.36161(10) 0.0256(4) Uani 1 1 d . . . . .
C241 C 0.9590(2) 0.8733(2) 0.39220(12) 0.0331(4) Uani 1 1 d . . . . .
H241 H 0.9406 0.9482 0.4288 0.040 Uiso 1 1 calc R U . . .
C242 C 1.0039(3) 0.9161(2) 0.32725(14) 0.0437(5) Uani 1 1 d . . . . .
H24A H 1.0787 0.9848 0.3522 0.052 Uiso 1 1 calc R U . . .
H24B H 0.9275 0.9436 0.2932 0.052 Uiso 1 1 calc R U . . .
H24C H 1.0345 0.8475 0.2942 0.052 Uiso 1 1 calc R U . . .
C243 C 1.0724(3) 0.8232(3) 0.44245(19) 0.0634(8) Uani 1 1 d . . . . .
H24D H 1.0976 0.7525 0.4080 0.076 Uiso 1 1 calc R U . . .
H24E H 1.0420 0.7965 0.4846 0.076 Uiso 1 1 calc R U . . .
H24F H 1.1514 0.8879 0.4674 0.076 Uiso 1 1 calc R U . . .
C25 C 0.79753(19) 0.68969(18) 0.28927(10) 0.0256(4) Uani 1 1 d . . . . .
H25 H 0.8578 0.6861 0.2566 0.031 Uiso 1 1 calc R U . . .
C26 C 0.68035(18) 0.60309(17) 0.26324(9) 0.0215(3) Uani 1 1 d . . . . .
C261 C 0.65476(19) 0.50739(18) 0.18290(9) 0.0230(4) Uani 1 1 d . . . . .
H261 H 0.5661 0.4545 0.1725 0.028 Uiso 1 1 calc R U . . .
C262 C 0.6430(2) 0.5695(2) 0.11378(11) 0.0343(5) Uani 1 1 d . . . . .
H26A H 0.5703 0.6211 0.1124 0.041 Uiso 1 1 calc R U . . .
H26B H 0.6221 0.5060 0.0625 0.041 Uiso 1 1 calc R U . . .
H26C H 0.7293 0.6213 0.1221 0.041 Uiso 1 1 calc R U . . .
C263 C 0.7647(2) 0.4234(2) 0.18483(12) 0.0315(4) Uani 1 1 d . . . . .
H26D H 0.8531 0.4733 0.1958 0.038 Uiso 1 1 calc R U . . .
H26E H 0.7443 0.3622 0.1326 0.038 Uiso 1 1 calc R U . . .
H26F H 0.7672 0.3808 0.2273 0.038 Uiso 1 1 calc R U . . .
C31 C 0.29857(18) 0.43619(16) 0.16771(10) 0.0196(3) Uani 1 1 d . . . . .
Al1 Al 0.28313(5) 0.25290(5) 0.14359(3) 0.01875(11) Uani 1 1 d . . . . .
C41 C 0.1361(2) 0.18087(18) 0.18155(11) 0.0269(4) Uani 1 1 d . . . . .
C42 C 0.0039(3) 0.1905(4) 0.1201(2) 0.0791(12) Uani 1 1 d . . . . .
H42A H 0.0046 0.1466 0.0658 0.095 Uiso 1 1 calc R U . . .
H42B H -0.0030 0.2777 0.1224 0.095 Uiso 1 1 calc R U . . .
H42C H -0.0741 0.1534 0.1331 0.095 Uiso 1 1 calc R U . . .
C43 C 0.1329(4) 0.2520(3) 0.26314(19) 0.0838(13) Uani 1 1 d . . . . .
H43A H 0.0492 0.2222 0.2738 0.101 Uiso 1 1 calc R U . . .
H43B H 0.1360 0.3401 0.2650 0.101 Uiso 1 1 calc R U . . .
H43C H 0.2116 0.2403 0.3041 0.101 Uiso 1 1 calc R U . . .
C44 C 0.1309(4) 0.0456(3) 0.1787(2) 0.0702(10) Uani 1 1 d . . . . .
H44A H 0.2136 0.0328 0.2162 0.084 Uiso 1 1 calc R U . . .
H44B H 0.1244 -0.0020 0.1239 0.084 Uiso 1 1 calc R U . . .
H44C H 0.0514 0.0179 0.1943 0.084 Uiso 1 1 calc R U . . .
C51 C 0.32028(19) 0.16428(16) 0.04208(10) 0.0217(3) Uani 1 1 d . . . . .
C52 C 0.3178(3) 0.02474(18) 0.02926(12) 0.0367(5) Uani 1 1 d . . . . .
H52A H 0.3317 -0.0111 -0.0233 0.044 Uiso 1 1 calc R U . . .
H52B H 0.2297 -0.0126 0.0310 0.044 Uiso 1 1 calc R U . . .
H52C H 0.3904 0.0084 0.0719 0.044 Uiso 1 1 calc R U . . .
C53 C 0.2057(2) 0.1870(2) -0.02574(12) 0.0356(5) Uani 1 1 d . . . . .
H53A H 0.2185 0.1476 -0.0781 0.043 Uiso 1 1 calc R U . . .
H53B H 0.2080 0.2761 -0.0197 0.043 Uiso 1 1 calc R U . . .
H53C H 0.1178 0.1517 -0.0226 0.043 Uiso 1 1 calc R U . . .
C54 C 0.4542(2) 0.21980(19) 0.03380(11) 0.0290(4) Uani 1 1 d . . . . .
H54A H 0.5299 0.2051 0.0753 0.035 Uiso 1 1 calc R U . . .
H54B H 0.4557 0.3090 0.0404 0.035 Uiso 1 1 calc R U . . .
H54C H 0.4631 0.1810 -0.0196 0.035 Uiso 1 1 calc R U . . .
C32 C 0.22339(19) 0.50148(16) 0.12375(10) 0.0226(4) Uani 1 1 d . . . . .
H32 H 0.1691 0.4528 0.0725 0.027 Uiso 1 1 calc R U . . .
C33 C 0.2069(2) 0.63738(17) 0.13892(11) 0.0261(4) Uani 1 1 d . . . . .
C34 C 0.2426(3) 0.6870(3) 0.07255(19) 0.0578(8) Uani 1 1 d . . . . .
H34A H 0.3384 0.6822 0.0756 0.069 Uiso 1 1 calc R U . . .
H34B H 0.2267 0.7733 0.0796 0.069 Uiso 1 1 calc R U . . .
H34C H 0.1855 0.6373 0.0198 0.069 Uiso 1 1 calc R U . . .
C35 C 0.0570(2) 0.6454(2) 0.13236(15) 0.0407(5) Uani 1 1 d . . . . .
H35A H 0.0009 0.5946 0.0797 0.049 Uiso 1 1 calc R U . . .
H35B H 0.0413 0.7316 0.1381 0.049 Uiso 1 1 calc R U . . .
H35C H 0.0325 0.6152 0.1751 0.049 Uiso 1 1 calc R U . . .
C36 C 0.2907(3) 0.71429(19) 0.22159(15) 0.0461(6) Uani 1 1 d . . . . .
H36A H 0.2679 0.6794 0.2630 0.055 Uiso 1 1 calc R U . . .
H36B H 0.2708 0.7995 0.2292 0.055 Uiso 1 1 calc R U . . .
H36C H 0.3875 0.7138 0.2260 0.055 Uiso 1 1 calc R U . . .
C01 C 1.1198(4) 0.5098(4) 0.4841(3) 0.0850(12) Uani 1 1 d . . . . .
C02 C 0.9995(4) 0.4984(3) 0.4243(2) 0.0764(10) Uani 1 1 d . . . . .
C03 C 0.8793(4) 0.4902(3) 0.4403(2) 0.0759(11) Uani 1 1 d . . . . .
H03 H 0.7958 0.4846 0.3993 0.091 Uiso 1 1 calc R U . . .
F01 F 1.2386(5) 0.5322(7) 0.4720(4) 0.129(2) Uani 0.5 1 d . . P . .
F02 F 1.0102(6) 0.5095(5) 0.3578(2) 0.113(2) Uani 0.5 1 d . . P . .
H01A H 1.2055 0.5206 0.4722 0.136 Uiso 0.5 1 d . U P . .
H02A H 1.0009 0.4947 0.3699 0.136 Uiso 0.5 1 d . U 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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 '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
C31 Ge1 C21 125.96(7) . .
C31 Ge1 C11 93.98(7) . .
C21 Ge1 C11 107.47(8) . .
C31 Ge1 H1 111.9(10) . .
C21 Ge1 H1 110.2(10) . .
C11 Ge1 H1 103.6(10) . .
C12 C11 Ge1 172.43(17) . .
C12 C11 Al1 103.23(14) . .
Ge1 C11 Al1 84.12(6) . .
C11 C12 C13 174.51(19) . .
C12 C13 C15 110.05(18) . .
C12 C13 C16 107.23(17) . .
C15 C13 C16 109.8(2) . .
C12 C13 C14 110.95(16) . .
C15 C13 C14 109.4(2) . .
C16 C13 C14 109.3(2) . .
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 . .
C26 C21 C22 119.00(17) . .
C26 C21 Ge1 119.33(12) . .
C22 C21 Ge1 121.67(13) . .
C23 C22 C21 119.15(17) . .
C23 C22 C221 118.05(16) . .
C21 C22 C221 122.80(18) . .
C223 C221 C22 114.0(3) . .
C22A C221 C22 114.7(6) . .
C223 C221 C222 114.8(4) . .
C22 C221 C222 111.0(4) . .
C22A C221 C22B 106.1(5) . .
C22 C221 C22B 109.3(3) . .
C223 C221 H221 105.3 . .
C22 C221 H221 105.3 . .
C222 C221 H221 105.3 . .
C221 C222 H22A 109.5 . .
C221 C222 H22B 109.5 . .
H22A C222 H22B 109.5 . .
C221 C222 H22C 109.5 . .
H22A C222 H22C 109.5 . .
H22B C222 H22C 109.5 . .
C221 C223 H22D 109.5 . .
C221 C223 H22E 109.5 . .
H22D C223 H22E 109.5 . .
C221 C223 H22F 109.5 . .
H22D C223 H22F 109.5 . .
H22E C223 H22F 109.5 . .
C221 C22A H22G 109.5 . .
C221 C22A H22H 109.5 . .
H22G C22A H22H 109.5 . .
C221 C22A H22I 109.5 . .
H22G C22A H22I 109.5 . .
H22H C22A H22I 109.5 . .
C221 C22B H22J 109.5 . .
C221 C22B H22K 109.5 . .
H22J C22B H22K 109.5 . .
C221 C22B H22L 109.5 . .
H22J C22B H22L 109.5 . .
H22K C22B H22L 109.5 . .
C22 C23 C24 122.93(16) . .
C22 C23 H23 118.5 . .
C24 C23 H23 118.5 . .
C23 C24 C25 117.20(18) . .
C23 C24 C241 120.00(16) . .
C25 C24 C241 122.78(17) . .
C242 C241 C243 110.5(2) . .
C242 C241 C24 114.44(17) . .
C243 C241 C24 110.9(2) . .
C242 C241 H241 106.9 . .
C243 C241 H241 106.9 . .
C24 C241 H241 106.9 . .
C241 C242 H24A 109.5 . .
C241 C242 H24B 109.5 . .
H24A C242 H24B 109.5 . .
C241 C242 H24C 109.5 . .
H24A C242 H24C 109.5 . .
H24B C242 H24C 109.5 . .
C241 C243 H24D 109.5 . .
C241 C243 H24E 109.5 . .
H24D C243 H24E 109.5 . .
C241 C243 H24F 109.5 . .
H24D C243 H24F 109.5 . .
H24E C243 H24F 109.5 . .
C26 C25 C24 122.20(17) . .
C26 C25 H25 118.9 . .
C24 C25 H25 118.9 . .
C25 C26 C21 119.51(15) . .
C25 C26 C261 117.96(15) . .
C21 C26 C261 122.53(16) . .
C26 C261 C263 111.61(15) . .
C26 C261 C262 111.08(16) . .
C263 C261 C262 110.57(16) . .
C26 C261 H261 107.8 . .
C263 C261 H261 107.8 . .
C262 C261 H261 107.8 . .
C261 C262 H26A 109.5 . .
C261 C262 H26B 109.5 . .
H26A C262 H26B 109.5 . .
C261 C262 H26C 109.5 . .
H26A C262 H26C 109.5 . .
H26B C262 H26C 109.5 . .
C261 C263 H26D 109.5 . .
C261 C263 H26E 109.5 . .
H26D C263 H26E 109.5 . .
C261 C263 H26F 109.5 . .
H26D C263 H26F 109.5 . .
H26E C263 H26F 109.5 . .
C32 C31 Ge1 132.07(13) . .
C32 C31 Al1 126.50(13) . .
Ge1 C31 Al1 100.81(8) . .
C31 Al1 C51 117.33(7) . .
C31 Al1 C41 111.71(8) . .
C51 Al1 C41 120.72(8) . .
C31 Al1 C11 78.00(7) . .
C51 Al1 C11 115.62(7) . .
C41 Al1 C11 105.07(7) . .
C43 C41 C44 109.4(2) . .
C43 C41 C42 107.8(3) . .
C44 C41 C42 105.3(3) . .
C43 C41 Al1 113.48(16) . .
C44 C41 Al1 115.91(15) . .
C42 C41 Al1 104.18(15) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C41 C43 H43A 109.5 . .
C41 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C41 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C41 C44 H44A 109.5 . .
C41 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C41 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C54 C51 C52 108.84(16) . .
C54 C51 C53 107.20(16) . .
C52 C51 C53 108.28(16) . .
C54 C51 Al1 112.02(12) . .
C52 C51 Al1 115.44(12) . .
C53 C51 Al1 104.62(12) . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C51 C53 H53A 109.5 . .
C51 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C51 C54 H54A 109.5 . .
C51 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C51 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C31 C32 C33 133.20(16) . .
C31 C32 H32 113.4 . .
C33 C32 H32 113.4 . .
C36 C33 C32 113.31(15) . .
C36 C33 C34 111.0(2) . .
C32 C33 C34 108.60(16) . .
C36 C33 C35 108.24(18) . .
C32 C33 C35 107.23(17) . .
C34 C33 C35 108.27(19) . .
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 . .
F01 C01 C03 116.3(4) . 2_766
F01 C01 C02 122.0(5) . .
C03 C01 C02 121.4(4) 2_766 .
F01 C01 H01A 4.2 . .
C03 C01 H01A 118.6 2_766 .
C02 C01 H01A 120.0 . .
F02 C02 C03 122.1(4) . .
F02 C02 C01 116.3(5) . .
C03 C02 C01 121.2(4) . .
F02 C02 H02A 8.4 . .
C03 C02 H02A 118.7 . .
C01 C02 H02A 120.1 . .
C02 C03 C01 117.4(3) . 2_766
C02 C03 H03 121.3 . .
C01 C03 H03 121.3 2_766 .
C01 F01 H01A 11.4 . .
C02 F02 H02A 25.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 C31 1.9392(17) .
Ge1 C21 1.9665(18) .
Ge1 C11 1.9699(18) .
Ge1 H1 1.42(2) .
C11 C12 1.209(3) .
C11 Al1 2.5083(19) .
C12 C13 1.482(2) .
C13 C15 1.520(4) .
C13 C16 1.525(3) .
C13 C14 1.525(3) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C21 C26 1.408(2) .
C21 C22 1.413(2) .
C22 C23 1.385(3) .
C22 C221 1.525(3) .
C221 C223 1.458(5) .
C221 C22A 1.472(7) .
C221 C222 1.549(5) .
C221 C22B 1.581(7) .
C221 H221 0.9600 .
C222 H22A 0.9600 .
C222 H22B 0.9600 .
C222 H22C 0.9600 .
C223 H22D 0.9600 .
C223 H22E 0.9600 .
C223 H22F 0.9600 .
C22A H22G 0.9600 .
C22A H22H 0.9600 .
C22A H22I 0.9600 .
C22B H22J 0.9600 .
C22B H22K 0.9600 .
C22B H22L 0.9600 .
C23 C24 1.389(3) .
C23 H23 0.9500 .
C24 C25 1.393(2) .
C24 C241 1.517(3) .
C241 C242 1.508(3) .
C241 C243 1.509(3) .
C241 H241 1.0000 .
C242 H24A 0.9800 .
C242 H24B 0.9800 .
C242 H24C 0.9800 .
C243 H24D 0.9800 .
C243 H24E 0.9800 .
C243 H24F 0.9800 .
C25 C26 1.393(3) .
C25 H25 0.9500 .
C26 C261 1.522(2) .
C261 C263 1.527(3) .
C261 C262 1.532(3) .
C261 H261 1.0000 .
C262 H26A 0.9800 .
C262 H26B 0.9800 .
C262 H26C 0.9800 .
C263 H26D 0.9800 .
C263 H26E 0.9800 .
C263 H26F 0.9800 .
C31 C32 1.338(2) .
C31 Al1 1.9883(18) .
Al1 C51 1.9943(17) .
Al1 C41 1.998(2) .
C41 C43 1.495(3) .
C41 C44 1.505(3) .
C41 C42 1.539(3) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C51 C54 1.525(3) .
C51 C52 1.528(3) .
C51 C53 1.538(3) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C32 C33 1.518(2) .
C32 H32 0.9500 .
C33 C36 1.515(3) .
C33 C34 1.528(3) .
C33 C35 1.530(3) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C01 F01 1.310(6) .
C01 C03 1.341(6) 2_766
C01 C02 1.384(5) .
C01 H01A 0.9636 .
C02 F02 1.250(6) .
C02 C03 1.340(6) .
C02 H02A 0.9638 .
C03 C01 1.341(6) 2_766
C03 H03 0.9600 .
F01 H01A 0.3561 .
F02 H02A 0.3283 .
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
C26 C21 C22 C23 -1.4(3) . .
Ge1 C21 C22 C23 178.79(14) . .
C26 C21 C22 C221 178.03(18) . .
Ge1 C21 C22 C221 -1.8(3) . .
C23 C22 C221 C223 -88.1(4) . .
C21 C22 C221 C223 92.5(4) . .
C23 C22 C221 C22A 64.8(7) . .
C21 C22 C221 C22A -114.6(7) . .
C23 C22 C221 C222 43.5(5) . .
C21 C22 C221 C222 -135.9(4) . .
C23 C22 C221 C22B -54.1(6) . .
C21 C22 C221 C22B 126.5(6) . .
C21 C22 C23 C24 0.8(3) . .
C221 C22 C23 C24 -178.63(19) . .
C22 C23 C24 C25 0.2(3) . .
C22 C23 C24 C241 -178.22(18) . .
C23 C24 C241 C242 -144.6(2) . .
C25 C24 C241 C242 37.1(3) . .
C23 C24 C241 C243 89.7(3) . .
C25 C24 C241 C243 -88.7(3) . .
C23 C24 C25 C26 -0.7(3) . .
C241 C24 C25 C26 177.72(18) . .
C24 C25 C26 C21 0.1(3) . .
C24 C25 C26 C261 179.59(17) . .
C22 C21 C26 C25 1.0(3) . .
Ge1 C21 C26 C25 -179.21(13) . .
C22 C21 C26 C261 -178.53(16) . .
Ge1 C21 C26 C261 1.3(2) . .
C25 C26 C261 C263 63.4(2) . .
C21 C26 C261 C263 -117.09(19) . .
C25 C26 C261 C262 -60.5(2) . .
C21 C26 C261 C262 119.00(19) . .
Ge1 C31 C32 C33 0.1(3) . .
Al1 C31 C32 C33 169.35(16) . .
C31 C32 C33 C36 -1.6(3) . .
C31 C32 C33 C34 122.3(3) . .
C31 C32 C33 C35 -120.9(2) . .
F01 C01 C02 F02 0.6(7) . .
C03 C01 C02 F02 174.4(4) 2_766 .
F01 C01 C02 C03 -172.0(5) . .
C03 C01 C02 C03 1.8(7) 2_766 .
F02 C02 C03 C01 -173.9(4) . 2_766
C01 C02 C03 C01 -1.8(6) . 2_766
