#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/85/4118573.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_4118573
loop_
_publ_author_name
'Owen T. Summerscales'
'Christine A. Caputo'
'Caroline E. Knapp'
'James C. Fettinger'
'Philip P. Power'
_publ_section_title
;
 The Role of Group 14 Element Hydrides in the Activation of C-H Bonds in
 Cyclic Olefins
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14595
_journal_page_last               14603
_journal_paper_doi               10.1021/ja305853d
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         '(C67 H86 Ge2), 0.5(C5 H12)'
_chemical_formula_sum            'C69.5 H92 Ge2'
_chemical_formula_weight         1072.61
_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                 109.826(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.5795(16)
_cell_length_b                   13.4167(10)
_cell_length_c                   22.7242(17)
_cell_measurement_reflns_used    9976
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      71.79
_cell_measurement_theta_min      7.72
_cell_volume                     5902.5(8)
_computing_cell_refinement       'SAINT (7.68A) (Bruker, 2009)'
_computing_data_collection       'Apex2 (2010-11.3) (Bruker, 2010)'
_computing_data_reduction        'Bruker SAINT, SADABS and XPREP'
_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      90(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II Duo CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0246
_diffrn_reflns_av_sigmaI/netI    0.0244
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            27667
_diffrn_reflns_theta_full        67.75
_diffrn_reflns_theta_max         67.75
_diffrn_reflns_theta_min         7.72
_exptl_absorpt_coefficient_mu    1.538
_exptl_absorpt_correction_T_max  0.7236
_exptl_absorpt_correction_T_min  0.6030
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2008/1 (Sheldrick, 2008)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_description       Block
_exptl_crystal_F_000             2292
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.452
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     798
_refine_ls_number_reflns         10462
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0330P)²+3.6935P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0738
_reflns_number_gt                10390
_reflns_number_total             10462
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja305853d_si_002.cif
_cod_data_source_block           ots28jcff
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C69.50 H92 Ge2'
_cod_database_code               4118573
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 0.169559(8) 0.497392(12) 0.341734(7) 0.01475(6) Uani 1 1 d . . .
Ge2 Ge 0.243706(8) 0.546458(12) 0.280984(7) 0.01511(6) Uani 1 1 d . . .
C1 C 0.16672(8) 0.37923(11) 0.28851(7) 0.0182(3) Uani 1 1 d . . .
H1A H 0.1887(10) 0.3230(15) 0.3150(9) 0.027(5) Uiso 1 1 d . . .
H1B H 0.1194(10) 0.3588(13) 0.2656(8) 0.019(4) Uiso 1 1 d . . .
C2 C 0.20813(8) 0.41245(11) 0.24542(7) 0.0177(3) Uani 1 1 d . . .
H2 H 0.2469(9) 0.3699(13) 0.2512(8) 0.016(4) Uiso 1 1 d . . .
C3 C 0.16431(8) 0.41867(12) 0.17553(7) 0.0202(3) Uani 1 1 d . . .
H3A H 0.1941(9) 0.4373(13) 0.1513(8) 0.019(4) Uiso 1 1 d . . .
H3B H 0.1463(9) 0.3518(14) 0.1613(8) 0.019(4) Uiso 1 1 d . . .
C4 C 0.10284(8) 0.49005(12) 0.15980(8) 0.0224(3) Uani 1 1 d . . .
H4A H 0.0724(9) 0.4709(13) 0.1834(8) 0.018(4) Uiso 1 1 d . . .
H4B H 0.0752(10) 0.4832(14) 0.1148(10) 0.025(5) Uiso 1 1 d . . .
C5 C 0.12205(8) 0.60025(12) 0.17265(7) 0.0216(3) Uani 1 1 d . . .
H5A H 0.0791(10) 0.6400(14) 0.1566(9) 0.024(5) Uiso 1 1 d . . .
H5B H 0.1527(9) 0.6184(13) 0.1488(8) 0.020(4) Uiso 1 1 d . . .
C6 C 0.15872(8) 0.62805(11) 0.24168(7) 0.0183(3) Uani 1 1 d . . .
H6 H 0.1716(9) 0.6969(14) 0.2447(8) 0.018(4) Uiso 1 1 d . . .
C7 C 0.11589(8) 0.60444(12) 0.28494(7) 0.0191(3) Uani 1 1 d . . .
H7A H 0.0672(10) 0.5836(14) 0.2614(9) 0.025(5) Uiso 1 1 d . . .
H7B H 0.1149(10) 0.6597(15) 0.3114(9) 0.028(5) Uiso 1 1 d . . .
C8 C 0.15399(8) 0.47673(11) 0.42204(7) 0.0163(3) Uani 1 1 d . . .
C9 C 0.19562(8) 0.41112(11) 0.46835(7) 0.0184(3) Uani 1 1 d . . .
C10 C 0.18831(9) 0.40722(12) 0.52720(7) 0.0231(3) Uani 1 1 d . . .
H10 H 0.2178 0.3651 0.5585 0.027(5) Uiso 1 1 calc R . .
C11 C 0.13875(9) 0.46375(12) 0.54075(7) 0.0230(3) Uani 1 1 d . . .
H11 H 0.1357 0.4631 0.5815 0.019(4) Uiso 1 1 calc R . .
C12 C 0.09374(8) 0.52117(11) 0.49375(7) 0.0198(3) Uani 1 1 d . . .
H12 H 0.0578 0.5568 0.5019 0.025(5) Uiso 1 1 calc R . .
C13 C 0.10010(8) 0.52785(11) 0.43452(7) 0.0166(3) Uani 1 1 d . . .
C14 C 0.24023(8) 0.33013(11) 0.45588(7) 0.0196(3) Uani 1 1 d . . .
C15 C 0.20971(8) 0.23490(12) 0.44121(7) 0.0206(3) Uani 1 1 d . . .
C16 C 0.25136(9) 0.15453(12) 0.43769(7) 0.0236(3) Uani 1 1 d . . .
H16 H 0.2314 0.0902 0.4277 0.021(4) Uiso 1 1 calc R . .
C17 C 0.32094(9) 0.16698(13) 0.44852(8) 0.0284(4) Uani 1 1 d . . .
H17 H 0.3486 0.1113 0.4465 0.035(5) Uiso 1 1 calc R . .
C18 C 0.35036(9) 0.26038(13) 0.46238(8) 0.0278(4) Uani 1 1 d . . .
H18 H 0.3984 0.2683 0.4697 0.031(5) Uiso 1 1 calc R . .
C19 C 0.31101(8) 0.34322(12) 0.46577(7) 0.0224(3) Uani 1 1 d . . .
C20 C 0.13372(8) 0.21467(12) 0.43041(7) 0.0232(3) Uani 1 1 d . . .
H20 H 0.1103 0.2804 0.4292 0.019(4) Uiso 1 1 calc R . .
C21 C 0.09795(9) 0.16187(13) 0.36800(8) 0.0299(4) Uani 1 1 d . . .
H21A H 0.1028 0.2022 0.3338 0.040(6) Uiso 1 1 calc R . .
H21B H 0.0488 0.1531 0.3620 0.037(6) Uiso 1 1 calc R . .
H21C H 0.1194 0.0965 0.3683 0.042(6) Uiso 1 1 calc R . .
C22 C 0.12490(10) 0.15378(14) 0.48445(9) 0.0344(4) Uani 1 1 d . . .
H22A H 0.1465 0.0883 0.4861 0.040(6) Uiso 1 1 calc R . .
H22B H 0.0756 0.1453 0.4777 0.044(6) Uiso 1 1 calc R . .
H22C H 0.1470 0.1890 0.5240 0.052(7) Uiso 1 1 calc R . .
C23 C 0.34552(9) 0.44446(12) 0.48339(8) 0.0252(3) Uani 1 1 d . . .
H23 H 0.3091 0.4966 0.4672 0.021(5) Uiso 1 1 calc R . .
C24 C 0.40160(10) 0.46406(14) 0.45467(10) 0.0340(4) Uani 1 1 d . . .
H24A H 0.4388 0.4151 0.4707 0.046(6) Uiso 1 1 calc R . .
H24B H 0.4203 0.5313 0.4659 0.032(5) Uiso 1 1 calc R . .
H24C H 0.3817 0.4584 0.4090 0.040(6) Uiso 1 1 calc R . .
C25 C 0.37544(12) 0.45585(16) 0.55463(9) 0.0426(5) Uani 1 1 d . . .
H25A H 0.3384 0.4486 0.5723 0.044(6) Uiso 1 1 calc R . .
H25B H 0.3966 0.5218 0.5651 0.044(6) Uiso 1 1 calc R . .
H25C H 0.4105 0.4043 0.5720 0.054(7) Uiso 1 1 calc R . .
C26 C 0.04147(8) 0.58049(11) 0.38576(7) 0.0166(3) Uani 1 1 d . . .
C27 C 0.03115(8) 0.68342(11) 0.39032(7) 0.0179(3) Uani 1 1 d . . .
C28 C -0.02912(8) 0.72673(12) 0.34970(7) 0.0224(3) Uani 1 1 d . . .
H28 H -0.0362 0.7964 0.3521 0.022(4) Uiso 1 1 calc R . .
C29 C -0.07877(8) 0.67033(12) 0.30599(8) 0.0245(3) Uani 1 1 d . . .
H29 H -0.1201 0.7007 0.2796 0.031(5) Uiso 1 1 calc R . .
C30 C -0.06790(8) 0.56946(12) 0.30087(7) 0.0220(3) Uani 1 1 d . . .
H30 H -0.1016 0.5313 0.2701 0.024(5) Uiso 1 1 calc R . .
C31 C -0.00848(8) 0.52288(11) 0.33990(7) 0.0182(3) Uani 1 1 d . . .
C32 C 0.08270(8) 0.75023(11) 0.43813(7) 0.0204(3) Uani 1 1 d . . .
H32 H 0.1243 0.7095 0.4609 0.021(4) Uiso 1 1 calc R . .
C33 C 0.10580(9) 0.83756(12) 0.40652(8) 0.0251(3) Uani 1 1 d . . .
H33A H 0.1262 0.8118 0.3763 0.031(5) Uiso 1 1 calc R . .
H33B H 0.1402 0.8774 0.4383 0.035(5) Uiso 1 1 calc R . .
H33C H 0.0658 0.8794 0.3847 0.032(5) Uiso 1 1 calc R . .
C34 C 0.05175(10) 0.79072(13) 0.48608(8) 0.0293(4) Uani 1 1 d . . .
H34A H 0.0123 0.8338 0.4649 0.033(5) Uiso 1 1 calc R . .
H34B H 0.0869 0.8292 0.5180 0.040(6) Uiso 1 1 calc R . .
H34C H 0.0363 0.7350 0.5059 0.037(6) Uiso 1 1 calc R . .
C35 C -0.00153(8) 0.41032(11) 0.33518(7) 0.0193(3) Uani 1 1 d . . .
H35 H 0.0489 0.3944 0.3485 0.014(4) Uiso 1 1 calc R . .
C36 C -0.03563(9) 0.36918(13) 0.26897(8) 0.0279(4) Uani 1 1 d . . .
H36A H -0.0859 0.3740 0.2572 0.032(5) Uiso 1 1 calc R . .
H36B H -0.0224 0.2992 0.2678 0.034(5) Uiso 1 1 calc R . .
H36C H -0.0203 0.4079 0.2395 0.033(5) Uiso 1 1 calc R . .
C37 C -0.03068(9) 0.35922(12) 0.38109(8) 0.0271(4) Uani 1 1 d . . .
H37A H -0.0055 0.3822 0.4237 0.043(6) Uiso 1 1 calc R . .
H37B H -0.0255 0.2869 0.3788 0.034(5) Uiso 1 1 calc R . .
H37C H -0.0797 0.3759 0.3702 0.039(6) Uiso 1 1 calc R . .
C38 C 0.33512(7) 0.59271(11) 0.28292(6) 0.0167(3) Uani 1 1 d . . .
C39 C 0.37930(8) 0.53112(12) 0.26248(7) 0.0185(3) Uani 1 1 d . . .
C40 C 0.44905(8) 0.55661(12) 0.27800(7) 0.0222(3) Uani 1 1 d . . .
H40 H 0.4789 0.5144 0.2652 0.020(4) Uiso 1 1 calc R . .
C41 C 0.47542(8) 0.64215(13) 0.31169(7) 0.0243(3) Uani 1 1 d . . .
H41 H 0.5235 0.6560 0.3246 0.029(5) Uiso 1 1 calc R . .
C42 C 0.43108(8) 0.70729(12) 0.32635(7) 0.0225(3) Uani 1 1 d . . .
H42 H 0.4485 0.7684 0.3467 0.028(5) Uiso 1 1 calc R . .
C43 C 0.36122(8) 0.68488(11) 0.31172(7) 0.0184(3) Uani 1 1 d . . .
C44 C 0.35504(8) 0.44715(11) 0.21576(7) 0.0190(3) Uani 1 1 d . . .
C45 C 0.37108(8) 0.34698(12) 0.23308(8) 0.0231(3) Uani 1 1 d . . .
C46 C 0.35811(9) 0.27462(12) 0.18631(8) 0.0265(3) Uani 1 1 d . . .
H46 H 0.3684 0.2068 0.1977 0.024(5) Uiso 1 1 calc R . .
C47 C 0.33064(9) 0.29975(13) 0.12388(8) 0.0274(4) Uani 1 1 d . . .
H47 H 0.3241 0.2500 0.0927 0.034(5) Uiso 1 1 calc R . .
C48 C 0.31264(8) 0.39725(13) 0.10689(8) 0.0250(3) Uani 1 1 d . . .
H48 H 0.2923 0.4136 0.0638 0.027(5) Uiso 1 1 calc R . .
C49 C 0.32369(8) 0.47231(12) 0.15173(7) 0.0201(3) Uani 1 1 d . . .
C50 C 0.40121(10) 0.31514(14) 0.30139(8) 0.0329(4) Uani 1 1 d . . .
H50 H 0.3919 0.3696 0.3275 0.051(7) Uiso 1 1 calc R . .
C51 C 0.36729(14) 0.21946(18) 0.31424(12) 0.0543(6) Uani 1 1 d . . .
H51A H 0.3784 0.1638 0.2914 0.071(9) Uiso 1 1 calc R . .
H51B H 0.3171 0.2285 0.3003 0.095(11) Uiso 1 1 calc R . .
H51C H 0.3847 0.2051 0.3592 0.053(7) Uiso 1 1 calc R . .
C52 C 0.47897(12) 0.30030(19) 0.32193(10) 0.0490(5) Uani 1 1 d . . .
H52A H 0.4895 0.2483 0.2962 0.063(8) Uiso 1 1 calc R . .
H52B H 0.4964 0.2801 0.3660 0.054(7) Uiso 1 1 calc R . .
H52C H 0.5010 0.3629 0.3168 0.077(9) Uiso 1 1 calc R . .
C53 C 0.30299(8) 0.57911(12) 0.13021(7) 0.0214(3) Uani 1 1 d . . .
H53 H 0.2887 0.6125 0.1632 0.017(4) Uiso 1 1 calc R . .
C54 C 0.24181(9) 0.58505(13) 0.06868(7) 0.0256(3) Uani 1 1 d . . .
H54A H 0.2565 0.5627 0.0341 0.030(5) Uiso 1 1 calc R . .
H54B H 0.2254 0.6541 0.0613 0.033(5) Uiso 1 1 calc R . .
H54C H 0.2043 0.5422 0.0713 0.030(5) Uiso 1 1 calc R . .
C55 C 0.36405(9) 0.63785(13) 0.12365(8) 0.0273(4) Uani 1 1 d . . .
H55A H 0.4018 0.6390 0.1640 0.036(5) Uiso 1 1 calc R . .
H55B H 0.3494 0.7062 0.1106 0.030(5) Uiso 1 1 calc R . .
H55C H 0.3800 0.6058 0.0922 0.033(5) Uiso 1 1 calc R . .
C56 C 0.31580(8) 0.76841(11) 0.31949(7) 0.0201(3) Uani 1 1 d . . .
C57 C 0.29163(8) 0.83805(12) 0.27011(7) 0.0231(3) Uani 1 1 d . . .
C58 C 0.25477(9) 0.92075(13) 0.27787(8) 0.0291(4) Uani 1 1 d . . .
H58 H 0.2378 0.9671 0.2445 0.031(5) Uiso 1 1 calc R . .
C59 C 0.24234(10) 0.93688(13) 0.33302(9) 0.0326(4) Uani 1 1 d . . .
H59 H 0.2170 0.9938 0.3376 0.032(5) Uiso 1 1 calc R . .
C60 C 0.26699(9) 0.86964(13) 0.38176(8) 0.0292(4) Uani 1 1 d . . .
H60 H 0.2591 0.8818 0.4200 0.027(5) Uiso 1 1 calc R . .
C61 C 0.30317(8) 0.78448(12) 0.37588(7) 0.0227(3) Uani 1 1 d . . .
C62 C 0.30739(9) 0.82939(12) 0.20953(8) 0.0259(3) Uani 1 1 d . . .
H62 H 0.3293 0.7629 0.2094 0.023(5) Uiso 1 1 calc R . .
C63 C 0.24199(10) 0.83501(14) 0.15156(8) 0.0331(4) Uani 1 1 d . . .
H63A H 0.2098 0.7825 0.1537 0.045(6) Uiso 1 1 calc R . .
H63B H 0.2543 0.8259 0.1139 0.036(5) Uiso 1 1 calc R . .
H63C H 0.2201 0.9003 0.1501 0.045(6) Uiso 1 1 calc R . .
C64 C 0.35912(11) 0.90976(16) 0.20650(10) 0.0414(5) Uani 1 1 d . . .
H64A H 0.3392 0.9758 0.2075 0.055(7) Uiso 1 1 calc R . .
H64B H 0.3694 0.9022 0.1677 0.049(6) Uiso 1 1 calc R . .
H64C H 0.4018 0.9026 0.2424 0.052(7) Uiso 1 1 calc R . .
C65 C 0.33097(9) 0.71337(12) 0.43098(7) 0.0236(3) Uani 1 1 d . . .
H65 H 0.3383 0.6471 0.4141 0.023(5) Uiso 1 1 calc R . .
C66 C 0.28064(10) 0.69861(13) 0.46668(8) 0.0287(4) Uani 1 1 d . . .
H66A H 0.2738 0.7622 0.4850 0.032(5) Uiso 1 1 calc R . .
H66B H 0.2996 0.6496 0.5001 0.036(5) Uiso 1 1 calc R . .
H66C H 0.2363 0.6746 0.4379 0.036(5) Uiso 1 1 calc R . .
C67 C 0.40122(10) 0.74977(15) 0.47565(8) 0.0329(4) Uani 1 1 d . . .
H67A H 0.3960 0.8166 0.4909 0.041(6) Uiso 1 1 calc R . .
H67B H 0.4344 0.7521 0.4534 0.042(6) Uiso 1 1 calc R . .
H67C H 0.4180 0.7039 0.5112 0.041(6) Uiso 1 1 calc R . .
C71 C 0.4919(2) 0.5295(3) 0.86799(19) 0.0376(9) Uani 0.50 1 d P A 1
H71A H 0.5146 0.5675 0.8436 0.039(11) Uiso 0.50 1 calc PR A 1
H71B H 0.4431 0.5485 0.8552 0.058(15) Uiso 0.50 1 calc PR A 1
H71C H 0.4955 0.4581 0.8605 0.044(13) Uiso 0.50 1 calc PR A 1
C72 C 0.52347(12) 0.54949(18) 0.93034(15) 0.0622(7) Uani 0.50 1 d P A 1
H72A H 0.5223 0.6220 0.9381 0.074(9) Uiso 0.50 1 calc PR A 1
H72B H 0.5723 0.5277 0.9442 0.060(7) Uiso 0.50 1 calc PR A 1
C72A C 0.52347(12) 0.54949(18) 0.93034(15) 0.0622(7) Uani 0.50 1 d PD A 2
H72C H 0.52229(12) 0.62196(18) 0.93811(15) 0.074(9) Uiso 0.50 1 d PD B 2
H72D H 0.57231(12) 0.52769(18) 0.94422(15) 0.060(7) Uiso 0.50 1 d PD C 2
H72E H 0.50275(17) 0.5375(3) 0.88527(16) 0.090 Uiso 0.50 1 d PD D 2
C73 C 0.48499(12) 0.49375(17) 0.96544(15) 0.0614(8) Uani 1 1 d . . .
H73A H 0.4365 0.5170 0.9511 0.062(8) Uiso 1 1 calc R A 1
H73B H 0.4847 0.4220 0.9553 0.051(7) Uiso 1 1 calc R A 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -1.0885 0.8855 '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
C8 Ge1 C1 118.07(6) .
C8 Ge1 C7 118.07(6) .
C1 Ge1 C7 106.60(6) .
C8 Ge1 Ge2 151.41(4) .
C1 Ge1 Ge2 76.59(4) .
C7 Ge1 Ge2 76.00(4) .
C38 Ge2 C6 121.49(6) .
C38 Ge2 C2 120.50(6) .
C6 Ge2 C2 99.58(6) .
C38 Ge2 Ge1 147.06(4) .
C6 Ge2 Ge1 77.46(4) .
C2 Ge2 Ge1 77.05(4) .
C2 C1 Ge1 104.14(9) .
C2 C1 H1A 111.7(11) .
Ge1 C1 H1A 109.3(11) .
C2 C1 H1B 113.8(10) .
Ge1 C1 H1B 111.5(10) .
H1A C1 H1B 106.4(15) .
C3 C2 C1 114.09(13) .
C3 C2 Ge2 111.91(10) .
C1 C2 Ge2 101.83(9) .
C3 C2 H2 110.2(10) .
C1 C2 H2 110.5(10) .
Ge2 C2 H2 107.9(10) .
C4 C3 C2 115.06(13) .
C4 C3 H3A 109.5(10) .
C2 C3 H3A 109.4(10) .
C4 C3 H3B 107.8(10) .
C2 C3 H3B 108.2(10) .
H3A C3 H3B 106.5(14) .
C3 C4 C5 114.84(13) .
C3 C4 H4A 109.7(10) .
C5 C4 H4A 108.5(10) .
C3 C4 H4B 108.8(11) .
C5 C4 H4B 107.9(11) .
H4A C4 H4B 106.8(15) .
C4 C5 C6 115.72(13) .
C4 C5 H5A 108.0(11) .
C6 C5 H5A 108.2(11) .
C4 C5 H5B 107.7(10) .
C6 C5 H5B 108.3(10) .
H5A C5 H5B 108.7(15) .
C5 C6 C7 114.01(13) .
C5 C6 Ge2 112.03(10) .
C7 C6 Ge2 101.72(9) .
C5 C6 H6 109.6(10) .
C7 C6 H6 110.6(10) .
Ge2 C6 H6 108.6(10) .
C6 C7 Ge1 104.28(9) .
C6 C7 H7A 113.3(11) .
Ge1 C7 H7A 112.2(11) .
C6 C7 H7B 112.1(12) .
Ge1 C7 H7B 106.0(12) .
H7A C7 H7B 108.7(16) .
C13 C8 C9 118.10(13) .
C13 C8 Ge1 120.11(11) .
C9 C8 Ge1 121.79(11) .
C10 C9 C8 120.04(14) .
C10 C9 C14 114.99(13) .
C8 C9 C14 124.13(13) .
C11 C10 C9 121.22(14) .
C11 C10 H10 119.4 .
C9 C10 H10 119.4 .
C12 C11 C10 118.85(14) .
C12 C11 H11 120.6 .
C10 C11 H11 120.6 .
C11 C12 C13 121.40(14) .
C11 C12 H12 119.3 .
C13 C12 H12 119.3 .
C12 C13 C8 119.89(14) .
C12 C13 C26 115.11(13) .
C8 C13 C26 124.52(13) .
C19 C14 C15 120.24(14) .
C19 C14 C9 122.84(14) .
C15 C14 C9 116.44(14) .
C16 C15 C14 118.66(15) .
C16 C15 C20 118.02(14) .
C14 C15 C20 123.31(14) .
C17 C16 C15 121.11(16) .
C17 C16 H16 119.4 .
C15 C16 H16 119.4 .
C16 C17 C18 119.96(15) .
C16 C17 H17 120.0 .
C18 C17 H17 120.0 .
C17 C18 C19 121.24(16) .
C17 C18 H18 119.4 .
C19 C18 H18 119.4 .
C18 C19 C14 118.77(15) .
C18 C19 C23 119.91(15) .
C14 C19 C23 121.24(14) .
C15 C20 C21 112.10(13) .
C15 C20 C22 111.06(14) .
C21 C20 C22 110.13(14) .
C15 C20 H20 107.8 .
C21 C20 H20 107.8 .
C22 C20 H20 107.8 .
C20 C21 H21A 109.5 .
C20 C21 H21B 109.5 .
H21A C21 H21B 109.5 .
C20 C21 H21C 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
C20 C22 H22A 109.5 .
C20 C22 H22B 109.5 .
H22A C22 H22B 109.5 .
C20 C22 H22C 109.5 .
H22A C22 H22C 109.5 .
H22B C22 H22C 109.5 .
C19 C23 C24 113.17(14) .
C19 C23 C25 110.58(14) .
C24 C23 C25 110.05(16) .
C19 C23 H23 107.6 .
C24 C23 H23 107.6 .
C25 C23 H23 107.6 .
C23 C24 H24A 109.5 .
C23 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C23 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C23 C25 H25A 109.5 .
C23 C25 H25B 109.5 .
H25A C25 H25B 109.5 .
C23 C25 H25C 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
C27 C26 C31 119.94(14) .
C27 C26 C13 120.58(13) .
C31 C26 C13 118.96(13) .
C28 C27 C26 118.83(14) .
C28 C27 C32 118.24(13) .
C26 C27 C32 122.92(13) .
C29 C28 C27 121.39(15) .
C29 C28 H28 119.3 .
C27 C28 H28 119.3 .
C30 C29 C28 119.62(15) .
C30 C29 H29 120.2 .
C28 C29 H29 120.2 .
C29 C30 C31 121.20(15) .
C29 C30 H30 119.4 .
C31 C30 H30 119.4 .
C30 C31 C26 118.98(14) .
C30 C31 C35 118.89(14) .
C26 C31 C35 121.98(14) .
C27 C32 C33 111.51(12) .
C27 C32 C34 110.95(13) .
C33 C32 C34 109.36(13) .
C27 C32 H32 108.3 .
C33 C32 H32 108.3 .
C34 C32 H32 108.3 .
C32 C33 H33A 109.5 .
C32 C33 H33B 109.5 .
H33A C33 H33B 109.5 .
C32 C33 H33C 109.5 .
H33A C33 H33C 109.5 .
H33B C33 H33C 109.5 .
C32 C34 H34A 109.5 .
C32 C34 H34B 109.5 .
H34A C34 H34B 109.5 .
C32 C34 H34C 109.5 .
H34A C34 H34C 109.5 .
H34B C34 H34C 109.5 .
C31 C35 C36 113.81(13) .
C31 C35 C37 109.15(12) .
C36 C35 C37 110.69(13) .
C31 C35 H35 107.7 .
C36 C35 H35 107.7 .
C37 C35 H35 107.7 .
C35 C36 H36A 109.5 .
C35 C36 H36B 109.5 .
H36A C36 H36B 109.5 .
C35 C36 H36C 109.5 .
H36A C36 H36C 109.5 .
H36B C36 H36C 109.5 .
C35 C37 H37A 109.5 .
C35 C37 H37B 109.5 .
H37A C37 H37B 109.5 .
C35 C37 H37C 109.5 .
H37A C37 H37C 109.5 .
H37B C37 H37C 109.5 .
C43 C38 C39 118.37(13) .
C43 C38 Ge2 119.70(11) .
C39 C38 Ge2 121.55(11) .
C40 C39 C38 119.46(14) .
C40 C39 C44 115.17(13) .
C38 C39 C44 124.64(13) .
C41 C40 C39 121.20(15) .
C41 C40 H40 119.4 .
C39 C40 H40 119.4 .
C42 C41 C40 119.36(15) .
C42 C41 H41 120.3 .
C40 C41 H41 120.3 .
C41 C42 C43 121.15(15) .
C41 C42 H42 119.4 .
C43 C42 H42 119.4 .
C42 C43 C38 119.81(14) .
C42 C43 C56 116.22(14) .
C38 C43 C56 123.37(13) .
C45 C44 C49 119.73(14) .
C45 C44 C39 121.66(14) .
C49 C44 C39 118.04(13) .
C46 C45 C44 119.00(15) .
C46 C45 C50 119.13(15) .
C44 C45 C50 121.87(15) .
C47 C46 C45 121.25(15) .
C47 C46 H46 119.4 .
C45 C46 H46 119.4 .
C48 C47 C46 119.83(15) .
C48 C47 H47 120.1 .
C46 C47 H47 120.1 .
C47 C48 C49 121.24(15) .
C47 C48 H48 119.4 .
C49 C48 H48 119.4 .
C48 C49 C44 118.84(15) .
C48 C49 C53 118.99(14) .
C44 C49 C53 122.16(14) .
C52 C50 C45 111.81(15) .
C52 C50 C51 109.33(17) .
C45 C50 C51 111.95(17) .
C52 C50 H50 107.9 .
C45 C50 H50 107.9 .
C51 C50 H50 107.9 .
C50 C51 H51A 109.5 .
C50 C51 H51B 109.5 .
H51A C51 H51B 109.5 .
C50 C51 H51C 109.5 .
H51A C51 H51C 109.5 .
H51B C51 H51C 109.5 .
C50 C52 H52A 109.5 .
C50 C52 H52B 109.5 .
H52A C52 H52B 109.5 .
C50 C52 H52C 109.5 .
H52A C52 H52C 109.5 .
H52B C52 H52C 109.5 .
C49 C53 C55 111.39(13) .
C49 C53 C54 113.22(13) .
C55 C53 C54 109.34(13) .
C49 C53 H53 107.5 .
C55 C53 H53 107.5 .
C54 C53 H53 107.5 .
C53 C54 H54A 109.5 .
C53 C54 H54B 109.5 .
H54A C54 H54B 109.5 .
C53 C54 H54C 109.5 .
H54A C54 H54C 109.5 .
H54B C54 H54C 109.5 .
C53 C55 H55A 109.5 .
C53 C55 H55B 109.5 .
H55A C55 H55B 109.5 .
C53 C55 H55C 109.5 .
H55A C55 H55C 109.5 .
H55B C55 H55C 109.5 .
C61 C56 C57 119.80(14) .
C61 C56 C43 122.26(14) .
C57 C56 C43 117.60(13) .
C58 C57 C56 119.16(15) .
C58 C57 C62 117.97(15) .
C56 C57 C62 122.79(14) .
C59 C58 C57 121.25(16) .
C59 C58 H58 119.4 .
C57 C58 H58 119.4 .
C58 C59 C60 119.63(16) .
C58 C59 H59 120.2 .
C60 C59 H59 120.2 .
C59 C60 C61 121.31(16) .
C59 C60 H60 119.3 .
C61 C60 H60 119.3 .
C60 C61 C56 118.82(15) .
C60 C61 C65 119.89(14) .
C56 C61 C65 121.23(14) .
C57 C62 C63 112.28(14) .
C57 C62 C64 110.55(14) .
C63 C62 C64 110.34(15) .
C57 C62 H62 107.8 .
C63 C62 H62 107.8 .
C64 C62 H62 107.8 .
C62 C63 H63A 109.5 .
C62 C63 H63B 109.5 .
H63A C63 H63B 109.5 .
C62 C63 H63C 109.5 .
H63A C63 H63C 109.5 .
H63B C63 H63C 109.5 .
C62 C64 H64A 109.5 .
C62 C64 H64B 109.5 .
H64A C64 H64B 109.5 .
C62 C64 H64C 109.5 .
H64A C64 H64C 109.5 .
H64B C64 H64C 109.5 .
C61 C65 C66 112.58(14) .
C61 C65 C67 110.54(13) .
C66 C65 C67 110.19(14) .
C61 C65 H65 107.8 .
C66 C65 H65 107.8 .
C67 C65 H65 107.8 .
C65 C66 H66A 109.5 .
C65 C66 H66B 109.5 .
H66A C66 H66B 109.5 .
C65 C66 H66C 109.5 .
H66A C66 H66C 109.5 .
H66B C66 H66C 109.5 .
C65 C67 H67A 109.5 .
C65 C67 H67B 109.5 .
H67A C67 H67B 109.5 .
C65 C67 H67C 109.5 .
H67A C67 H67C 109.5 .
H67B C67 H67C 109.5 .
H71A C71 H71B 109.5 .
H71B C71 H71C 109.5 .
H71C C71 H71A 109.5 .
C71 C72 C73 107.5(3) .
C71 C72 H72A 110.2 .
C73 C72 H72A 110.2 .
C71 C72 H72B 110.2 .
C73 C72 H72B 110.2 .
H72A C72 H72B 108.5 .
C71 C72 H72C 110.2(2) .
C73 C72 H72C 110.20(12) .
H72B C72 H72C 108.5 .
C71 C72 H72D 110.2(2) .
C73 C72 H72D 110.20(14) .
H72A C72 H72D 108.5 .
H72C C72 H72D 108.5 .
C73 C72 H72E 110.7(3) .
H72A C72 H72E 108.6 .
H72B C72 H72E 108.6 .
H72C C72 H72E 108.62(13) .
H72D C72 H72E 108.62(13) .
C73 C73 C72 113.5(2) 3_667
C73 C73 H73A 108.9 3_667
C72 C73 H73A 108.9 .
C73 C73 H73B 108.9 3_667
C72 C73 H73B 108.9 .
H73A C73 H73B 107.7 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 C8 1.9763(14) .
Ge1 C1 1.9829(15) .
Ge1 C7 1.9953(15) .
Ge1 Ge2 2.4691(3) .
Ge2 C38 1.9672(15) .
Ge2 C6 1.9988(15) .
Ge2 C2 2.0052(15) .
C1 C2 1.565(2) .
C1 H1A 0.98(2) .
C1 H1B 0.975(19) .
C2 C3 1.540(2) .
C2 H2 0.953(18) .
C3 C4 1.529(2) .
C3 H3A 0.985(19) .
C3 H3B 0.982(18) .
C4 C5 1.533(2) .
C4 H4A 0.986(19) .
C4 H4B 0.99(2) .
C5 C6 1.538(2) .
C5 H5A 0.990(19) .
C5 H5B 0.991(19) .
C6 C7 1.559(2) .
C6 H6 0.957(19) .
C7 H7A 1.00(2) .
C7 H7B 0.96(2) .
C8 C13 1.412(2) .
C8 C9 1.416(2) .
C9 C10 1.397(2) .
C9 C14 1.510(2) .
C10 C11 1.387(2) .
C10 H10 0.9500 .
C11 C12 1.386(2) .
C11 H11 0.9500 .
C12 C13 1.399(2) .
C12 H12 0.9500 .
C13 C26 1.508(2) .
C14 C19 1.408(2) .
C14 C15 1.413(2) .
C15 C16 1.397(2) .
C15 C20 1.523(2) .
C16 C17 1.378(2) .
C16 H16 0.9500 .
C17 C18 1.381(3) .
C17 H17 0.9500 .
C18 C19 1.393(2) .
C18 H18 0.9500 .
C19 C23 1.522(2) .
C20 C21 1.532(2) .
C20 C22 1.536(2) .
C20 H20 1.0000 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.529(2) .
C23 C25 1.532(2) .
C23 H23 1.0000 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 C27 1.406(2) .
C26 C31 1.419(2) .
C27 C28 1.397(2) .
C27 C32 1.526(2) .
C28 C29 1.384(2) .
C28 H28 0.9500 .
C29 C30 1.383(2) .
C29 H29 0.9500 .
C30 C31 1.392(2) .
C30 H30 0.9500 .
C31 C35 1.524(2) .
C32 C33 1.532(2) .
C32 C34 1.536(2) .
C32 H32 1.0000 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 C36 1.531(2) .
C35 C37 1.531(2) .
C35 H35 1.0000 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 C43 1.417(2) .
C38 C39 1.418(2) .
C39 C40 1.400(2) .
C39 C44 1.512(2) .
C40 C41 1.384(2) .
C40 H40 0.9500 .
C41 C42 1.383(2) .
C41 H41 0.9500 .
C42 C43 1.394(2) .
C42 H42 0.9500 .
C43 C56 1.507(2) .
C44 C45 1.408(2) .
C44 C49 1.418(2) .
C45 C46 1.397(2) .
C45 C50 1.524(2) .
C46 C47 1.379(2) .
C46 H46 0.9500 .
C47 C48 1.379(2) .
C47 H47 0.9500 .
C48 C49 1.395(2) .
C48 H48 0.9500 .
C49 C53 1.527(2) .
C50 C52 1.520(3) .
C50 C51 1.536(3) .
C50 H50 1.0000 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 C55 1.533(2) .
C53 C54 1.534(2) .
C53 H53 1.0000 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 C61 1.408(2) .
C56 C57 1.415(2) .
C57 C58 1.389(2) .
C57 C62 1.522(2) .
C58 C59 1.378(3) .
C58 H58 0.9500 .
C59 C60 1.384(3) .
C59 H59 0.9500 .
C60 C61 1.395(2) .
C60 H60 0.9500 .
C61 C65 1.523(2) .
C62 C63 1.533(2) .
C62 C64 1.533(3) .
C62 H62 1.0000 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 C66 1.530(2) .
C65 C67 1.537(2) .
C65 H65 1.0000 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C67 H67A 0.9800 .
C67 H67B 0.9800 .
C67 H67C 0.9800 .
C71 C72 1.370(5) .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C71 H72E 0.395(5) .
C72 C73 1.500(4) .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
C72 H72C 0.9900 .
C72 H72D 0.9900 .
C72 H72E 0.9800(10) .
C73 C73 1.490(6) 3_667
C73 H73A 0.9900 .
C73 H73B 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
C8 Ge1 Ge2 C38 1.67(12) .
C1 Ge1 Ge2 C38 -123.33(9) .
C7 Ge1 Ge2 C38 125.44(10) .
C8 Ge1 Ge2 C6 -128.19(10) .
C1 Ge1 Ge2 C6 106.82(7) .
C7 Ge1 Ge2 C6 -4.42(7) .
C8 Ge1 Ge2 C2 128.74(10) .
C1 Ge1 Ge2 C2 3.75(7) .
C7 Ge1 Ge2 C2 -107.49(7) .
C8 Ge1 C1 C2 -158.45(9) .
C7 Ge1 C1 C2 65.86(11) .
Ge2 Ge1 C1 C2 -4.83(8) .
Ge1 C1 C2 C3 -114.84(12) .
Ge1 C1 C2 Ge2 5.91(10) .
C38 Ge2 C2 C3 -92.69(11) .
C6 Ge2 C2 C3 42.90(11) .
Ge1 Ge2 C2 C3 117.54(10) .
C38 Ge2 C2 C1 145.05(9) .
C6 Ge2 C2 C1 -79.36(10) .
Ge1 Ge2 C2 C1 -4.72(8) .
C1 C2 C3 C4 58.58(17) .
Ge2 C2 C3 C4 -56.38(15) .
C2 C3 C4 C5 65.17(18) .
C3 C4 C5 C6 -64.68(18) .
C4 C5 C6 C7 -59.58(18) .
C4 C5 C6 Ge2 55.26(16) .
C38 Ge2 C6 C5 92.76(11) .
C2 Ge2 C6 C5 -42.24(11) .
Ge1 Ge2 C6 C5 -116.55(10) .
C38 Ge2 C6 C7 -145.09(9) .
C2 Ge2 C6 C7 79.91(10) .
Ge1 Ge2 C6 C7 5.60(8) .
C5 C6 C7 Ge1 113.79(12) .
Ge2 C6 C7 Ge1 -6.99(10) .
C8 Ge1 C7 C6 158.91(9) .
C1 Ge1 C7 C6 -65.40(11) .
Ge2 Ge1 C7 C6 5.71(9) .
C1 Ge1 C8 C13 -122.68(12) .
C7 Ge1 C8 C13 7.97(14) .
Ge2 Ge1 C8 C13 121.90(11) .
C1 Ge1 C8 C9 57.19(14) .
C7 Ge1 C8 C9 -172.16(12) .
Ge2 Ge1 C8 C9 -58.24(17) .
C13 C8 C9 C10 -7.6(2) .
Ge1 C8 C9 C10 172.53(12) .
C13 C8 C9 C14 161.32(14) .
Ge1 C8 C9 C14 -18.6(2) .
C8 C9 C10 C11 2.7(2) .
C14 C9 C10 C11 -167.22(15) .
C9 C10 C11 C12 3.2(2) .
C10 C11 C12 C13 -4.0(2) .
C11 C12 C13 C8 -1.1(2) .
C11 C12 C13 C26 171.37(14) .
C9 C8 C13 C12 6.8(2) .
Ge1 C8 C13 C12 -173.31(11) .
C9 C8 C13 C26 -164.90(14) .
Ge1 C8 C13 C26 15.0(2) .
C10 C9 C14 C19 -94.87(18) .
C8 C9 C14 C19 95.71(19) .
C10 C9 C14 C15 77.21(18) .
C8 C9 C14 C15 -92.20(18) .
C19 C14 C15 C16 0.9(2) .
C9 C14 C15 C16 -171.38(13) .
C19 C14 C15 C20 179.48(14) .
C9 C14 C15 C20 7.2(2) .
C14 C15 C16 C17 0.3(2) .
C20 C15 C16 C17 -178.32(14) .
C15 C16 C17 C18 -0.8(2) .
C16 C17 C18 C19 0.1(3) .
C17 C18 C19 C14 1.1(2) .
C17 C18 C19 C23 177.86(15) .
C15 C14 C19 C18 -1.6(2) .
C9 C14 C19 C18 170.16(14) .
C15 C14 C19 C23 -178.30(14) .
C9 C14 C19 C23 -6.5(2) .
C16 C15 C20 C21 -54.47(19) .
C14 C15 C20 C21 126.97(16) .
C16 C15 C20 C22 69.20(18) .
C14 C15 C20 C22 -109.36(17) .
C18 C19 C23 C24 38.9(2) .
C14 C19 C23 C24 -144.43(15) .
C18 C19 C23 C25 -85.0(2) .
C14 C19 C23 C25 91.59(19) .
C12 C13 C26 C27 68.20(18) .
C8 C13 C26 C27 -119.74(16) .
C12 C13 C26 C31 -103.54(16) .
C8 C13 C26 C31 68.53(19) .
C31 C26 C27 C28 0.9(2) .
C13 C26 C27 C28 -170.79(13) .
C31 C26 C27 C32 -179.64(13) .
C13 C26 C27 C32 8.7(2) .
C26 C27 C28 C29 0.8(2) .
C32 C27 C28 C29 -178.72(14) .
C27 C28 C29 C30 -2.0(2) .
C28 C29 C30 C31 1.5(2) .
C29 C30 C31 C26 0.2(2) .
C29 C30 C31 C35 175.82(14) .
C27 C26 C31 C30 -1.3(2) .
C13 C26 C31 C30 170.45(13) .
C27 C26 C31 C35 -176.85(13) .
C13 C26 C31 C35 -5.1(2) .
C28 C27 C32 C33 -56.33(18) .
C26 C27 C32 C33 124.17(15) .
C28 C27 C32 C34 65.85(18) .
C26 C27 C32 C34 -113.66(16) .
C30 C31 C35 C36 33.21(19) .
C26 C31 C35 C36 -151.28(14) .
C30 C31 C35 C37 -91.00(17) .
C26 C31 C35 C37 84.52(17) .
C6 Ge2 C38 C43 57.93(13) .
C2 Ge2 C38 C43 -176.10(10) .
Ge1 Ge2 C38 C43 -60.58(15) .
C6 Ge2 C38 C39 -129.31(12) .
C2 Ge2 C38 C39 -3.33(14) .
Ge1 Ge2 C38 C39 112.18(11) .
C43 C38 C39 C40 7.8(2) .
Ge2 C38 C39 C40 -165.02(11) .
C43 C38 C39 C44 -161.81(14) .
Ge2 C38 C39 C44 25.3(2) .
C38 C39 C40 C41 -1.5(2) .
C44 C39 C40 C41 169.05(14) .
C39 C40 C41 C42 -4.8(2) .
C40 C41 C42 C43 4.6(2) .
C41 C42 C43 C38 1.8(2) .
C41 C42 C43 C56 -169.60(14) .
C39 C38 C43 C42 -8.0(2) .
Ge2 C38 C43 C42 165.01(11) .
C39 C38 C43 C56 162.78(14) .
Ge2 C38 C43 C56 -24.23(19) .
C40 C39 C44 C45 76.21(18) .
C38 C39 C44 C45 -113.75(17) .
C40 C39 C44 C49 -95.12(17) .
C38 C39 C44 C49 74.92(19) .
C49 C44 C45 C46 2.4(2) .
C39 C44 C45 C46 -168.74(14) .
C49 C44 C45 C50 -176.64(15) .
C39 C44 C45 C50 12.2(2) .
C44 C45 C46 C47 0.6(2) .
C50 C45 C46 C47 179.75(16) .
C45 C46 C47 C48 -2.9(2) .
C46 C47 C48 C49 2.1(3) .
C47 C48 C49 C44 1.0(2) .
C47 C48 C49 C53 179.76(15) .
C45 C44 C49 C48 -3.2(2) .
C39 C44 C49 C48 168.27(14) .
C45 C44 C49 C53 178.02(14) .
C39 C44 C49 C53 -10.5(2) .
C46 C45 C50 C52 80.9(2) .
C44 C45 C50 C52 -100.04(19) .
C46 C45 C50 C51 -42.2(2) .
C44 C45 C50 C51 136.89(17) .
C48 C49 C53 C55 -94.18(17) .
C44 C49 C53 C55 84.57(17) .
C48 C49 C53 C54 29.5(2) .
C44 C49 C53 C54 -151.72(14) .
C42 C43 C56 C61 -90.59(18) .
C38 C43 C56 C61 98.34(18) .
C42 C43 C56 C57 82.68(17) .
C38 C43 C56 C57 -88.38(18) .
C61 C56 C57 C58 -1.0(2) .
C43 C56 C57 C58 -174.41(15) .
C61 C56 C57 C62 175.80(15) .
C43 C56 C57 C62 2.4(2) .
C56 C57 C58 C59 1.1(3) .
C62 C57 C58 C59 -175.86(17) .
C57 C58 C59 C60 0.0(3) .
C58 C59 C60 C61 -1.3(3) .
C59 C60 C61 C56 1.3(3) .
C59 C60 C61 C65 178.59(16) .
C57 C56 C61 C60 -0.2(2) .
C43 C56 C61 C60 172.93(15) .
C57 C56 C61 C65 -177.43(14) .
C43 C56 C61 C65 -4.3(2) .
C58 C57 C62 C63 -55.2(2) .
C56 C57 C62 C63 127.99(16) .
C58 C57 C62 C64 68.5(2) .
C56 C57 C62 C64 -108.31(18) .
C60 C61 C65 C66 39.7(2) .
C56 C61 C65 C66 -143.06(15) .
C60 C61 C65 C67 -83.97(19) .
C56 C61 C65 C67 93.23(18) .
C71 C72 C73 C73 178.3(3) 3_667
