#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:20:11 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180133 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/31/7103134.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_7103134
loop_
_publ_author_name
'Pavelka, Laura C'
'Holder, Simon J'
'Baines, Kim M'
_publ_section_title
;
 Addition polymerization of 1,1-dimesitylneopentylgermene: synthesis of
 a polygermene.
;
_journal_issue                   20
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2346
_journal_page_last               2348
_journal_paper_doi               10.1039/b801762j
_journal_year                    2008
_chemical_formula_sum            'C48 H68 Ge2'
_chemical_formula_weight         790.20
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.1924(15)
_cell_angle_beta                 104.8630(15)
_cell_angle_gamma                92.3110(14)
_cell_formula_units_Z            2
_cell_length_a                   12.5026(4)
_cell_length_b                   13.2978(4)
_cell_length_c                   14.0760(4)
_cell_measurement_reflns_used    11895
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.04
_cell_volume                     2199.83(12)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2001)'
_computing_publication_material  SHELXTL/PC
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_av_sigmaI/netI    0.0511
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17043
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.39
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.396
_exptl_absorpt_correction_T_max  0.7872
_exptl_absorpt_correction_T_min  0.6190
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             840
_exptl_crystal_recrystallization_method 'evap from C6D6'
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.468
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         10107
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0447
_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)+(0.0626P)²+0.8616P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1146
_refine_ls_wR_factor_ref         0.1282
_reflns_number_gt                7164
_reflns_number_total             10107
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b801762j.txt
_cod_data_source_block           07239
_cod_database_code               7103134
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.56110(2) 0.02345(2) 0.43276(2) 0.03531(10) Uani 1 1 d . . .
C1 C 0.7186(2) 0.0872(2) 0.4711(2) 0.0382(6) Uani 1 1 d . . .
C2 C 0.7595(3) 0.1373(2) 0.4064(2) 0.0411(7) Uani 1 1 d . . .
C3 C 0.8713(3) 0.1678(3) 0.4277(3) 0.0495(8) Uani 1 1 d . . .
H3A H 0.8967 0.2004 0.3825 0.059 Uiso 1 1 calc R . .
C4 C 0.9480(3) 0.1528(3) 0.5124(3) 0.0554(9) Uani 1 1 d . . .
C5 C 0.9079(3) 0.1093(3) 0.5783(3) 0.0529(8) Uani 1 1 d . . .
H5A H 0.9584 0.1010 0.6387 0.064 Uiso 1 1 calc R . .
C6 C 0.7962(3) 0.0771(2) 0.5595(2) 0.0426(7) Uani 1 1 d . . .
C7 C 0.6863(3) 0.1632(3) 0.3122(2) 0.0541(9) Uani 1 1 d . . .
H7A H 0.7326 0.1978 0.2797 0.081 Uiso 1 1 calc R . .
H7B H 0.6319 0.2090 0.3309 0.081 Uiso 1 1 calc R . .
H7C H 0.6471 0.0993 0.2652 0.081 Uiso 1 1 calc R . .
C8 C 1.0708(3) 0.1872(4) 0.5347(4) 0.0973(17) Uani 1 1 d . . .
H8A H 1.1113 0.1695 0.5975 0.146 Uiso 1 1 calc R . .
H8B H 1.0811 0.2622 0.5421 0.146 Uiso 1 1 calc R . .
H8C H 1.0992 0.1522 0.4790 0.146 Uiso 1 1 calc R . .
C9 C 0.7630(3) 0.0322(3) 0.6392(2) 0.0592(9) Uani 1 1 d . . .
H9A H 0.8290 0.0329 0.6949 0.089 Uiso 1 1 calc R . .
H9B H 0.7294 -0.0391 0.6095 0.089 Uiso 1 1 calc R . .
H9C H 0.7090 0.0737 0.6647 0.089 Uiso 1 1 calc R . .
C10 C 0.5147(2) -0.0203(2) 0.2829(2) 0.0388(7) Uani 1 1 d . . .
C11 C 0.4277(2) 0.0152(2) 0.2165(2) 0.0415(7) Uani 1 1 d . . .
C12 C 0.4000(3) -0.0289(3) 0.1137(2) 0.0488(8) Uani 1 1 d . . .
H12A H 0.3413 -0.0038 0.0702 0.059 Uiso 1 1 calc R . .
C13 C 0.4542(3) -0.1076(3) 0.0721(2) 0.0501(8) Uani 1 1 d . . .
C14 C 0.5418(3) -0.1399(3) 0.1369(2) 0.0487(8) Uani 1 1 d . . .
H14A H 0.5820 -0.1925 0.1098 0.058 Uiso 1 1 calc R . .
C15 C 0.5732(3) -0.0982(2) 0.2399(2) 0.0433(7) Uani 1 1 d . . .
C16 C 0.3696(3) 0.1080(3) 0.2486(3) 0.0544(9) Uani 1 1 d . . .
H16A H 0.3123 0.1184 0.1903 0.082 Uiso 1 1 calc R . .
H16B H 0.4237 0.1693 0.2753 0.082 Uiso 1 1 calc R . .
H16C H 0.3349 0.0968 0.3010 0.082 Uiso 1 1 calc R . .
C17 C 0.4230(4) -0.1533(3) -0.0404(2) 0.0673(11) Uani 1 1 d . . .
H17A H 0.4709 -0.2076 -0.0553 0.101 Uiso 1 1 calc R . .
H17B H 0.4326 -0.0990 -0.0758 0.101 Uiso 1 1 calc R . .
H17C H 0.3451 -0.1830 -0.0631 0.101 Uiso 1 1 calc R . .
C18 C 0.6775(3) -0.1332(3) 0.3008(2) 0.0541(8) Uani 1 1 d . . .
H18A H 0.7040 -0.1883 0.2571 0.081 Uiso 1 1 calc R . .
H18B H 0.6607 -0.1593 0.3561 0.081 Uiso 1 1 calc R . .
H18C H 0.7351 -0.0746 0.3288 0.081 Uiso 1 1 calc R . .
C19 C 0.5309(2) -0.1039(2) 0.4850(2) 0.0379(6) Uani 1 1 d . . .
H19A H 0.6008 -0.1193 0.5305 0.045 Uiso 1 1 calc R . .
C20 C 0.4728(3) -0.2030(2) 0.4067(2) 0.0447(7) Uani 1 1 d . . .
H20A H 0.3915 -0.1994 0.3933 0.054 Uiso 1 1 calc R . .
H20B H 0.4921 -0.2021 0.3429 0.054 Uiso 1 1 calc R . .
C21 C 0.4982(3) -0.3084(3) 0.4323(3) 0.0519(8) Uani 1 1 d . . .
C22 C 0.4408(4) -0.3931(3) 0.3382(3) 0.0811(13) Uani 1 1 d . . .
H22A H 0.4554 -0.4611 0.3522 0.122 Uiso 1 1 calc R . .
H22B H 0.4700 -0.3844 0.2818 0.122 Uiso 1 1 calc R . .
H22C H 0.3605 -0.3878 0.3205 0.122 Uiso 1 1 calc R . .
C23 C 0.4514(4) -0.3232(3) 0.5196(3) 0.0714(11) Uani 1 1 d . . .
H23A H 0.4879 -0.2699 0.5804 0.107 Uiso 1 1 calc R . .
H23B H 0.4652 -0.3917 0.5327 0.107 Uiso 1 1 calc R . .
H23C H 0.3712 -0.3175 0.5015 0.107 Uiso 1 1 calc R . .
C24 C 0.6227(4) -0.3201(3) 0.4602(4) 0.0800(13) Uani 1 1 d . . .
H24A H 0.6604 -0.2671 0.5209 0.120 Uiso 1 1 calc R . .
H24B H 0.6530 -0.3118 0.4043 0.120 Uiso 1 1 calc R . .
H24C H 0.6347 -0.3888 0.4734 0.120 Uiso 1 1 calc R . .
Ge51 Ge 0.03621(2) 0.42828(2) 0.06221(2) 0.03508(10) Uani 1 1 d . . .
C51 C 0.0619(3) 0.2827(2) 0.0097(2) 0.0388(6) Uani 1 1 d . . .
C52 C -0.0211(3) 0.2022(2) -0.0460(2) 0.0411(7) Uani 1 1 d . . .
C53 C 0.0102(3) 0.1089(3) -0.0919(2) 0.0522(8) Uani 1 1 d . . .
H53A H -0.0465 0.0553 -0.1304 0.063 Uiso 1 1 calc R . .
C54 C 0.1190(3) 0.0906(3) -0.0841(3) 0.0569(9) Uani 1 1 d . . .
C55 C 0.1999(3) 0.1672(3) -0.0224(3) 0.0542(9) Uani 1 1 d . . .
H55A H 0.2759 0.1549 -0.0126 0.065 Uiso 1 1 calc R . .
C56 C 0.1738(3) 0.2614(2) 0.0256(2) 0.0458(7) Uani 1 1 d . . .
C57 C -0.1427(3) 0.2085(3) -0.0543(3) 0.0535(8) Uani 1 1 d . . .
H57A H -0.1849 0.1438 -0.0969 0.080 Uiso 1 1 calc R . .
H57B H -0.1678 0.2663 -0.0846 0.080 Uiso 1 1 calc R . .
H57C H -0.1547 0.2194 0.0131 0.080 Uiso 1 1 calc R . .
C58 C 0.1501(4) -0.0090(3) -0.1401(3) 0.0862(14) Uani 1 1 d . . .
H58A H 0.0823 -0.0539 -0.1797 0.129 Uiso 1 1 calc R . .
H58B H 0.1950 -0.0442 -0.0915 0.129 Uiso 1 1 calc R . .
H58C H 0.1931 0.0064 -0.1855 0.129 Uiso 1 1 calc R . .
C59 C 0.2685(3) 0.3364(3) 0.0997(3) 0.0592(9) Uani 1 1 d . . .
H59A H 0.3393 0.3074 0.1001 0.089 Uiso 1 1 calc R . .
H59B H 0.2576 0.3478 0.1676 0.089 Uiso 1 1 calc R . .
H59C H 0.2694 0.4024 0.0793 0.089 Uiso 1 1 calc R . .
C60 C 0.0822(2) 0.4600(2) 0.2133(2) 0.0377(6) Uani 1 1 d . . .
C61 C 0.0811(3) 0.3831(2) 0.2683(2) 0.0458(7) Uani 1 1 d . . .
C62 C 0.1099(3) 0.4105(3) 0.3730(2) 0.0505(8) Uani 1 1 d . . .
H62A H 0.1104 0.3572 0.4087 0.061 Uiso 1 1 calc R . .
C63 C 0.1377(3) 0.5113(3) 0.4277(2) 0.0504(8) Uani 1 1 d . . .
C64 C 0.1374(3) 0.5867(3) 0.3744(2) 0.0495(8) Uani 1 1 d . . .
H64A H 0.1553 0.6570 0.4100 0.059 Uiso 1 1 calc R . .
C65 C 0.1116(3) 0.5628(2) 0.2693(2) 0.0432(7) Uani 1 1 d . . .
C66 C 0.0466(4) 0.2686(3) 0.2205(3) 0.0654(10) Uani 1 1 d . . .
H66A H 0.0279 0.2574 0.1468 0.098 Uiso 1 1 calc R . .
H66B H -0.0183 0.2462 0.2405 0.098 Uiso 1 1 calc R . .
H66C H 0.1082 0.2284 0.2435 0.098 Uiso 1 1 calc R . .
C67 C 0.1651(4) 0.5373(3) 0.5418(2) 0.0695(11) Uani 1 1 d . . .
H67A H 0.1829 0.6121 0.5675 0.104 Uiso 1 1 calc R . .
H67B H 0.2291 0.5019 0.5692 0.104 Uiso 1 1 calc R . .
H67C H 0.1009 0.5146 0.5627 0.104 Uiso 1 1 calc R . .
C68 C 0.1182(3) 0.6526(3) 0.2206(2) 0.0585(9) Uani 1 1 d . . .
H68A H 0.0978 0.6274 0.1470 0.088 Uiso 1 1 calc R . .
H68B H 0.1942 0.6868 0.2439 0.088 Uiso 1 1 calc R . .
H68C H 0.0668 0.7020 0.2392 0.088 Uiso 1 1 calc R . .
C69 C -0.1099(2) 0.4855(2) 0.0119(2) 0.0368(6) Uani 1 1 d . . .
H69A H -0.1644 0.4297 -0.0379 0.044 Uiso 1 1 calc R . .
C70 C -0.1631(3) 0.5419(2) 0.0911(2) 0.0438(7) Uani 1 1 d . . .
H70A H -0.1917 0.6041 0.0693 0.053 Uiso 1 1 calc R . .
H70B H -0.1035 0.5664 0.1548 0.053 Uiso 1 1 calc R . .
C71 C -0.2588(3) 0.4836(3) 0.1155(3) 0.0539(8) Uani 1 1 d . . .
C72 C -0.3041(4) 0.5639(4) 0.1863(4) 0.0892(15) Uani 1 1 d . . .
H72A H -0.3648 0.5305 0.2046 0.134 Uiso 1 1 calc R . .
H72B H -0.3321 0.6185 0.1522 0.134 Uiso 1 1 calc R . .
H72C H -0.2445 0.5943 0.2476 0.134 Uiso 1 1 calc R . .
C73 C -0.2153(3) 0.4013(3) 0.1713(3) 0.0654(10) Uani 1 1 d . . .
H73A H -0.1865 0.3484 0.1272 0.098 Uiso 1 1 calc R . .
H73B H -0.2758 0.3692 0.1909 0.098 Uiso 1 1 calc R . .
H73C H -0.1555 0.4330 0.2319 0.098 Uiso 1 1 calc R . .
C74 C -0.3524(3) 0.4355(4) 0.0205(3) 0.0765(12) Uani 1 1 d . . .
H74A H -0.3239 0.3832 -0.0244 0.115 Uiso 1 1 calc R . .
H74B H -0.3802 0.4895 -0.0144 0.115 Uiso 1 1 calc R . .
H74C H -0.4130 0.4029 0.0396 0.115 Uiso 1 1 calc R . .
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'
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
_geom_angle_publ_flag
C10 Ge1 C1 106.29(11) . . ?
C10 Ge1 C19 123.81(12) . 2_656 ?
C1 Ge1 C19 112.31(12) . 2_656 ?
C10 Ge1 C19 106.53(12) . . ?
C1 Ge1 C19 117.59(12) . . ?
C19 Ge1 C19 90.13(11) 2_656 . ?
C10 Ge1 Ge1 126.45(8) . 2_656 ?
C1 Ge1 Ge1 126.65(8) . 2_656 ?
C19 Ge1 Ge1 45.42(8) 2_656 2_656 ?
C19 Ge1 Ge1 44.71(8) . 2_656 ?
C6 C1 C2 116.6(3) . . ?
C6 C1 Ge1 121.6(2) . . ?
C2 C1 Ge1 121.6(2) . . ?
C3 C2 C1 120.5(3) . . ?
C3 C2 C7 115.6(3) . . ?
C1 C2 C7 123.9(3) . . ?
C2 C3 C4 122.4(3) . . ?
C2 C3 H3A 118.8 . . ?
C4 C3 H3A 118.8 . . ?
C5 C4 C3 117.2(3) . . ?
C5 C4 C8 121.0(3) . . ?
C3 C4 C8 121.7(3) . . ?
C4 C5 C6 122.1(3) . . ?
C4 C5 H5A 119.0 . . ?
C6 C5 H5A 119.0 . . ?
C5 C6 C1 121.0(3) . . ?
C5 C6 C9 116.6(3) . . ?
C1 C6 C9 122.4(3) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C10 C11 117.4(3) . . ?
C15 C10 Ge1 115.7(2) . . ?
C11 C10 Ge1 126.9(2) . . ?
C12 C11 C10 119.8(3) . . ?
C12 C11 C16 116.3(3) . . ?
C10 C11 C16 123.5(3) . . ?
C13 C12 C11 122.9(3) . . ?
C13 C12 H12A 118.6 . . ?
C11 C12 H12A 118.6 . . ?
C12 C13 C14 117.1(3) . . ?
C12 C13 C17 121.6(3) . . ?
C14 C13 C17 121.2(3) . . ?
C15 C14 C13 122.4(3) . . ?
C15 C14 H14A 118.8 . . ?
C13 C14 H14A 118.8 . . ?
C14 C15 C10 120.3(3) . . ?
C14 C15 C18 116.9(3) . . ?
C10 C15 C18 122.6(3) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 Ge1 117.2(2) . 2_656 ?
C20 C19 Ge1 117.77(19) . . ?
Ge1 C19 Ge1 89.87(11) 2_656 . ?
C20 C19 H19A 110.2 . . ?
Ge1 C19 H19A 110.2 2_656 . ?
Ge1 C19 H19A 110.2 . . ?
C21 C20 C19 118.3(3) . . ?
C21 C20 H20A 107.7 . . ?
C19 C20 H20A 107.7 . . ?
C21 C20 H20B 107.7 . . ?
C19 C20 H20B 107.7 . . ?
H20A C20 H20B 107.1 . . ?
C24 C21 C22 108.6(3) . . ?
C24 C21 C23 109.0(3) . . ?
C22 C21 C23 108.7(3) . . ?
C24 C21 C20 112.3(3) . . ?
C22 C21 C20 107.5(3) . . ?
C23 C21 C20 110.6(3) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C51 Ge51 C60 108.98(12) . . ?
C51 Ge51 C69 122.20(12) . . ?
C60 Ge51 C69 110.22(12) . . ?
C51 Ge51 C69 105.48(11) . 2_565 ?
C60 Ge51 C69 119.59(12) . 2_565 ?
C69 Ge51 C69 89.97(11) . 2_565 ?
C51 Ge51 Ge51 124.37(8) . 2_565 ?
C60 Ge51 Ge51 126.43(9) . 2_565 ?
C69 Ge51 Ge51 45.24(8) . 2_565 ?
C69 Ge51 Ge51 44.73(8) 2_565 2_565 ?
C52 C51 C56 118.0(3) . . ?
C52 C51 Ge51 125.7(2) . . ?
C56 C51 Ge51 116.2(2) . . ?
C53 C52 C51 119.0(3) . . ?
C53 C52 C57 117.2(3) . . ?
C51 C52 C57 123.6(3) . . ?
C54 C53 C52 123.1(3) . . ?
C54 C53 H53A 118.5 . . ?
C52 C53 H53A 118.5 . . ?
C53 C54 C55 117.2(3) . . ?
C53 C54 C58 121.8(4) . . ?
C55 C54 C58 120.9(4) . . ?
C54 C55 C56 122.1(3) . . ?
C54 C55 H55A 119.0 . . ?
C56 C55 H55A 119.0 . . ?
C55 C56 C51 120.0(3) . . ?
C55 C56 C59 117.9(3) . . ?
C51 C56 C59 122.0(3) . . ?
C52 C57 H57A 109.5 . . ?
C52 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C52 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C54 C58 H58A 109.5 . . ?
C54 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C54 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C56 C59 H59A 109.5 . . ?
C56 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C56 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C65 C60 C61 117.0(3) . . ?
C65 C60 Ge51 120.5(2) . . ?
C61 C60 Ge51 122.5(2) . . ?
C62 C61 C60 119.8(3) . . ?
C62 C61 C66 115.8(3) . . ?
C60 C61 C66 124.3(3) . . ?
C63 C62 C61 123.1(3) . . ?
C63 C62 H62A 118.5 . . ?
C61 C62 H62A 118.5 . . ?
C64 C63 C62 117.3(3) . . ?
C64 C63 C67 121.7(3) . . ?
C62 C63 C67 120.9(3) . . ?
C63 C64 C65 121.7(3) . . ?
C63 C64 H64A 119.2 . . ?
C65 C64 H64A 119.2 . . ?
C64 C65 C60 121.1(3) . . ?
C64 C65 C68 116.1(3) . . ?
C60 C65 C68 122.7(3) . . ?
C61 C66 H66A 109.5 . . ?
C61 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C61 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C63 C67 H67A 109.5 . . ?
C63 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C63 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C65 C68 H68A 109.5 . . ?
C65 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C65 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 Ge51 117.2(2) . . ?
C70 C69 Ge51 118.0(2) . 2_565 ?
Ge51 C69 Ge51 90.03(11) . 2_565 ?
C70 C69 H69A 110.1 . . ?
Ge51 C69 H69A 110.1 . . ?
Ge51 C69 H69A 110.1 2_565 . ?
C69 C70 C71 118.9(3) . . ?
C69 C70 H70A 107.6 . . ?
C71 C70 H70A 107.6 . . ?
C69 C70 H70B 107.6 . . ?
C71 C70 H70B 107.6 . . ?
H70A C70 H70B 107.0 . . ?
C73 C71 C72 107.9(3) . . ?
C73 C71 C74 110.3(3) . . ?
C72 C71 C74 109.3(3) . . ?
C73 C71 C70 110.8(3) . . ?
C72 C71 C70 106.3(3) . . ?
C74 C71 C70 112.0(3) . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C71 C73 H73A 109.5 . . ?
C71 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C71 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C71 C74 H74A 109.5 . . ?
C71 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C71 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 C10 1.988(3) . ?
Ge1 C1 2.004(3) . ?
Ge1 C19 2.016(3) 2_656 ?
Ge1 C19 2.041(3) . ?
Ge1 Ge1 2.8656(6) 2_656 ?
C1 C6 1.404(4) . ?
C1 C2 1.414(4) . ?
C2 C3 1.378(4) . ?
C2 C7 1.520(4) . ?
C3 C4 1.383(5) . ?
C3 H3A 0.9500 . ?
C4 C5 1.374(5) . ?
C4 C8 1.516(5) . ?
C5 C6 1.385(4) . ?
C5 H5A 0.9500 . ?
C6 C9 1.512(4) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C15 1.413(4) . ?
C10 C11 1.409(4) . ?
C11 C12 1.387(4) . ?
C11 C16 1.503(4) . ?
C12 C13 1.378(5) . ?
C12 H12A 0.9500 . ?
C13 C14 1.381(5) . ?
C13 C17 1.512(4) . ?
C14 C15 1.383(4) . ?
C14 H14A 0.9500 . ?
C15 C18 1.515(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.542(4) . ?
C19 Ge1 2.016(3) 2_656 ?
C19 H19A 1.0000 . ?
C20 C21 1.545(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C24 1.528(5) . ?
C21 C22 1.534(5) . ?
C21 C23 1.534(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
Ge51 C51 1.991(3) . ?
Ge51 C60 2.001(3) . ?
Ge51 C69 2.023(3) . ?
Ge51 C69 2.041(3) 2_565 ?
Ge51 Ge51 2.8744(6) 2_565 ?
C51 C52 1.405(4) . ?
C51 C56 1.410(4) . ?
C52 C53 1.393(4) . ?
C52 C57 1.502(5) . ?
C53 C54 1.373(5) . ?
C53 H53A 0.9500 . ?
C54 C55 1.381(5) . ?
C54 C58 1.512(5) . ?
C55 C56 1.387(4) . ?
C55 H55A 0.9500 . ?
C56 C59 1.522(5) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 C65 1.407(4) . ?
C60 C61 1.410(4) . ?
C61 C62 1.387(4) . ?
C61 C66 1.524(5) . ?
C62 C63 1.379(5) . ?
C62 H62A 0.9500 . ?
C63 C64 1.373(5) . ?
C63 C67 1.514(4) . ?
C64 C65 1.393(4) . ?
C64 H64A 0.9500 . ?
C65 C68 1.506(4) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.522(4) . ?
C69 Ge51 2.041(3) 2_565 ?
C69 H69A 1.0000 . ?
C70 C71 1.550(4) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C73 1.517(5) . ?
C71 C72 1.532(5) . ?
C71 C74 1.530(5) . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
