#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/50/4085033.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_4085033
loop_
_publ_author_name
'Wilfling, Petra'
'Schittelkopf, Kathrin'
'Flock, Michaela'
'Herber, Rolfe H.'
'Power, Philip P.'
'Fischer, Roland C.'
_publ_section_title
;
 Influence of Ligand Modifications on Structural and Spectroscopic
 Properties in Terphenyl Based Heavier Group 14 Carbene Homologues
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2222
_journal_paper_doi               10.1021/om500946e
_journal_volume                  34
_journal_year                    2015
_chemical_formula_sum            'C66 H89 Ge O1.5'
_chemical_formula_weight         978.96
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                96.6240(10)
_cell_angle_beta                 105.9330(10)
_cell_angle_gamma                102.695(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1296(4)
_cell_length_b                   12.1655(4)
_cell_length_c                   21.0705(7)
_cell_measurement_reflns_used    9993
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     2865.08(17)
_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      100(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            72190
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    0.575
_exptl_absorpt_correction_T_max  0.695
_exptl_absorpt_correction_T_min  0.618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1058
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.087
_refine_diff_density_min         -0.568
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     651
_refine_ls_number_reflns         12212
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.127
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0522
_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)+(0.0322P)²+6.8964P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1335
_refine_ls_wR_factor_ref         0.1367
_reflns_number_gt                10886
_reflns_number_total             12212
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500946e_si_002.cif
_cod_data_source_block           Ge(Ar#-iPr2)2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4085033--4085041.cif.
;
_cod_original_cell_volume        2865.08(16)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C66 H89 Ge O1.50'
_cod_database_code               4085033
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 0.86161(2) 0.83033(2) 0.272597(14) 0.01848(8) Uani 1 1 d . . .
C1 C 0.7490(2) 0.8842(2) 0.31856(13) 0.0173(5) Uani 1 1 d . . .
C2 C 0.6657(2) 0.8176(2) 0.34378(14) 0.0202(5) Uani 1 1 d . . .
C3 C 0.6299(3) 0.8684(2) 0.39567(16) 0.0258(6) Uani 1 1 d . . .
C4 C 0.6776(3) 0.9853(2) 0.42122(15) 0.0256(6) Uani 1 1 d . . .
H4 H 0.6540 1.0187 0.4555 0.031 Uiso 1 1 calc R . .
C5 C 0.7591(2) 1.0541(2) 0.39752(14) 0.0205(5) Uani 1 1 d . . .
C6 C 0.7956(2) 1.0028(2) 0.34657(13) 0.0180(5) Uani 1 1 d . . .
C7 C 0.5422(3) 0.8002(3) 0.42615(17) 0.0335(7) Uani 1 1 d . . .
H7 H 0.5169 0.7204 0.4024 0.040 Uiso 1 1 calc R . .
C8 C 0.4315(3) 0.8447(4) 0.41713(19) 0.0477(10) Uani 1 1 d . . .
H8A H 0.3738 0.7938 0.4310 0.072 Uiso 1 1 calc R . .
H8B H 0.3984 0.8482 0.3707 0.072 Uiso 1 1 calc R . .
H8C H 0.4527 0.9199 0.4440 0.072 Uiso 1 1 calc R . .
C10 C 0.8085(3) 1.1814(2) 0.42888(14) 0.0213(5) Uani 1 1 d . . .
H10 H 0.8523 1.2183 0.4009 0.026 Uiso 1 1 calc R . .
C11 C 0.8962(3) 1.1981(3) 0.49935(16) 0.0331(7) Uani 1 1 d . . .
H11A H 0.8550 1.1648 0.5283 0.050 Uiso 1 1 calc R . .
H11B H 0.9308 1.2785 0.5169 0.050 Uiso 1 1 calc R . .
H11C H 0.9578 1.1613 0.4970 0.050 Uiso 1 1 calc R . .
C12 C 0.7112(3) 1.2416(2) 0.43183(16) 0.0285(6) Uani 1 1 d . . .
H12A H 0.6557 1.2297 0.3877 0.043 Uiso 1 1 calc R . .
H12B H 0.7464 1.3223 0.4481 0.043 Uiso 1 1 calc R . .
H12C H 0.6703 1.2106 0.4615 0.043 Uiso 1 1 calc R . .
C13 C 0.6141(2) 0.6914(2) 0.31791(14) 0.0190(5) Uani 1 1 d . . .
C14 C 0.5034(2) 0.6516(2) 0.26750(14) 0.0230(6) Uani 1 1 d . . .
C15 C 0.4508(3) 0.5340(3) 0.24825(16) 0.0288(6) Uani 1 1 d . . .
H15 H 0.3788 0.5074 0.2140 0.035 Uiso 1 1 calc R . .
C16 C 0.5037(3) 0.4557(2) 0.27921(16) 0.0280(6) Uani 1 1 d . . .
C17 C 0.6114(3) 0.4967(2) 0.32957(16) 0.0271(6) Uani 1 1 d . . .
H17 H 0.6467 0.4447 0.3510 0.033 Uiso 1 1 calc R . .
C18 C 0.6684(2) 0.6128(2) 0.34918(14) 0.0224(6) Uani 1 1 d . . .
C19 C 0.4393(3) 0.7353(3) 0.23724(18) 0.0409(8) Uani 1 1 d . . .
H19A H 0.3724 0.6948 0.1991 0.061 Uiso 1 1 calc R . .
H19B H 0.4925 0.7910 0.2232 0.061 Uiso 1 1 calc R . .
H19C H 0.4122 0.7735 0.2701 0.061 Uiso 1 1 calc R . .
C20 C 0.4462(3) 0.3279(3) 0.2581(2) 0.0466(10) Uani 1 1 d . . .
H20A H 0.4983 0.2909 0.2421 0.070 Uiso 1 1 calc R . .
H20B H 0.3724 0.3144 0.2229 0.070 Uiso 1 1 calc R . .
H20C H 0.4316 0.2973 0.2959 0.070 Uiso 1 1 calc R . .
C21 C 0.7868(3) 0.6539(3) 0.40439(17) 0.0358(8) Uani 1 1 d . . .
H21A H 0.8025 0.5917 0.4265 0.054 Uiso 1 1 calc R . .
H21B H 0.7841 0.7154 0.4364 0.054 Uiso 1 1 calc R . .
H21C H 0.8487 0.6807 0.3853 0.054 Uiso 1 1 calc R . .
C22 C 0.8811(2) 1.0774(2) 0.31915(13) 0.0168(5) Uani 1 1 d . . .
C23 C 0.8332(2) 1.1390(2) 0.27018(13) 0.0181(5) Uani 1 1 d . . .
C24 C 0.9092(3) 1.2118(2) 0.24543(14) 0.0215(5) Uani 1 1 d . . .
H24 H 0.8775 1.2522 0.2133 0.026 Uiso 1 1 calc R . .
C25 C 1.0314(3) 1.2261(2) 0.26713(15) 0.0247(6) Uani 1 1 d . . .
C26 C 1.0769(2) 1.1673(2) 0.31628(15) 0.0242(6) Uani 1 1 d . . .
H26 H 1.1586 1.1768 0.3314 0.029 Uiso 1 1 calc R . .
C27 C 1.0048(2) 1.0944(2) 0.34392(14) 0.0200(5) Uani 1 1 d . . .
C28 C 0.7023(2) 1.1315(3) 0.24933(14) 0.0245(6) Uani 1 1 d . . .
H28A H 0.6843 1.1771 0.2155 0.037 Uiso 1 1 calc R . .
H28B H 0.6812 1.1595 0.2876 0.037 Uiso 1 1 calc R . .
H28C H 0.6580 1.0530 0.2315 0.037 Uiso 1 1 calc R . .
C29 C 1.1105(3) 1.3053(3) 0.2376(2) 0.0397(8) Uani 1 1 d . . .
H29A H 1.1922 1.3117 0.2610 0.060 Uiso 1 1 calc R . .
H29B H 1.0957 1.3797 0.2423 0.060 Uiso 1 1 calc R . .
H29C H 1.0935 1.2746 0.1909 0.060 Uiso 1 1 calc R . .
C30 C 1.0612(3) 1.0392(3) 0.40042(15) 0.0274(6) Uani 1 1 d . . .
H30A H 1.1160 1.0018 0.3878 0.041 Uiso 1 1 calc R . .
H30B H 1.0005 0.9837 0.4095 0.041 Uiso 1 1 calc R . .
H30C H 1.1029 1.0969 0.4400 0.041 Uiso 1 1 calc R . .
C31 C 0.8083(2) 0.7331(2) 0.17781(13) 0.0196(5) Uani 1 1 d . . .
C32 C 0.7576(2) 0.7612(2) 0.11529(14) 0.0216(5) Uani 1 1 d . . .
C33 C 0.7677(3) 0.7030(3) 0.05586(15) 0.0289(7) Uani 1 1 d . . .
C34 C 0.8307(3) 0.6202(3) 0.06053(16) 0.0366(8) Uani 1 1 d . . .
H34 H 0.8398 0.5843 0.0216 0.044 Uiso 1 1 calc R . .
C35 C 0.8805(3) 0.5889(3) 0.12107(16) 0.0325(7) Uani 1 1 d . . .
C36 C 0.8690(3) 0.6462(2) 0.17967(14) 0.0229(6) Uani 1 1 d . . .
C37 C 0.7094(3) 0.7258(3) -0.01362(15) 0.0315(7) Uani 1 1 d . . .
H37 H 0.6663 0.7836 -0.0077 0.038 Uiso 1 1 calc R . .
C38 C 0.8002(3) 0.7734(3) -0.04791(17) 0.0414(8) Uani 1 1 d . . .
H38A H 0.8567 0.8410 -0.0192 0.062 Uiso 1 1 calc R . .
H38B H 0.7603 0.7926 -0.0895 0.062 Uiso 1 1 calc R . .
H38C H 0.8408 0.7167 -0.0566 0.062 Uiso 1 1 calc R . .
C39 C 0.6189(3) 0.6177(3) -0.05931(18) 0.0440(9) Uani 1 1 d . . .
H39A H 0.6594 0.5607 -0.0677 0.066 Uiso 1 1 calc R . .
H39B H 0.5793 0.6365 -0.1011 0.066 Uiso 1 1 calc R . .
H39C H 0.5616 0.5883 -0.0377 0.066 Uiso 1 1 calc R . .
C40 C 0.9472(4) 0.4959(4) 0.12217(18) 0.0509(11) Uani 1 1 d . . .
H40 H 0.9649 0.4776 0.1674 0.061 Uiso 1 1 calc R . .
C41 C 0.8735(5) 0.3854(3) 0.0727(2) 0.0592(13) Uani 1 1 d . . .
H41A H 0.7983 0.3608 0.0803 0.089 Uiso 1 1 calc R . .
H41B H 0.9152 0.3269 0.0789 0.089 Uiso 1 1 calc R . .
H41C H 0.8608 0.3991 0.0276 0.089 Uiso 1 1 calc R . .
C43 C 0.6911(2) 0.8519(2) 0.10951(13) 0.0193(5) Uani 1 1 d . . .
C44 C 0.5684(3) 0.8213(3) 0.09935(16) 0.0281(6) Uani 1 1 d . . .
C45 C 0.5064(3) 0.9051(3) 0.09124(18) 0.0393(8) Uani 1 1 d . . .
H45 H 0.4257 0.8854 0.0865 0.047 Uiso 1 1 calc R . .
C46 C 0.5616(3) 1.0164(3) 0.08997(16) 0.0367(8) Uani 1 1 d . . .
C47 C 0.6815(3) 1.0441(3) 0.09699(15) 0.0318(7) Uani 1 1 d . . .
H47 H 0.7188 1.1182 0.0944 0.038 Uiso 1 1 calc R . .
C48 C 0.7488(3) 0.9642(2) 0.10787(14) 0.0232(6) Uani 1 1 d . . .
C49 C 0.5042(4) 0.6980(3) 0.0941(2) 0.0529(11) Uani 1 1 d . . .
H49A H 0.5065 0.6527 0.0543 0.079 Uiso 1 1 calc R . .
H49B H 0.4230 0.6929 0.0918 0.079 Uiso 1 1 calc R . .
H49C H 0.5421 0.6700 0.1329 0.079 Uiso 1 1 calc R . .
C50 C 0.4925(4) 1.1064(4) 0.0824(2) 0.0631(14) Uani 1 1 d . . .
H50A H 0.4221 1.0783 0.0443 0.095 Uiso 1 1 calc R . .
H50B H 0.5410 1.1753 0.0759 0.095 Uiso 1 1 calc R . .
H50C H 0.4705 1.1226 0.1222 0.095 Uiso 1 1 calc R . .
C51 C 0.8804(3) 0.9982(3) 0.1176(2) 0.0420(9) Uani 1 1 d . . .
H51A H 0.9231 0.9939 0.1625 0.063 Uiso 1 1 calc R . .
H51B H 0.9033 1.0753 0.1104 0.063 Uiso 1 1 calc R . .
H51C H 0.8986 0.9472 0.0861 0.063 Uiso 1 1 calc R . .
C52 C 0.9131(2) 0.6040(2) 0.24443(13) 0.0186(5) Uani 1 1 d . . .
C53 C 1.0291(2) 0.6476(2) 0.28826(14) 0.0198(5) Uani 1 1 d . . .
C54 C 1.0647(2) 0.5979(2) 0.34446(14) 0.0202(5) Uani 1 1 d . . .
H54 H 1.1408 0.6283 0.3745 0.024 Uiso 1 1 calc R . .
C55 C 0.9901(2) 0.5047(2) 0.35683(14) 0.0200(5) Uani 1 1 d . . .
C56 C 0.8761(2) 0.4605(2) 0.31137(14) 0.0201(5) Uani 1 1 d . . .
H56 H 0.8255 0.3971 0.3186 0.024 Uiso 1 1 calc R . .
C57 C 0.8361(2) 0.5086(2) 0.25554(13) 0.0197(5) Uani 1 1 d . . .
C58 C 1.1177(3) 0.7446(3) 0.27604(16) 0.0274(6) Uani 1 1 d . . .
H58A H 1.0838 0.7638 0.2333 0.041 Uiso 1 1 calc R . .
H58B H 1.1884 0.7213 0.2761 0.041 Uiso 1 1 calc R . .
H58C H 1.1373 0.8104 0.3109 0.041 Uiso 1 1 calc R . .
C59 C 1.0303(3) 0.4494(3) 0.41666(15) 0.0273(6) Uani 1 1 d . . .
H59A H 1.0429 0.3769 0.4018 0.041 Uiso 1 1 calc R . .
H59B H 0.9704 0.4377 0.4388 0.041 Uiso 1 1 calc R . .
H59C H 1.1031 0.4985 0.4474 0.041 Uiso 1 1 calc R . .
C60 C 0.7144(3) 0.4548(3) 0.20535(15) 0.0280(6) Uani 1 1 d . . .
H60A H 0.6743 0.3909 0.2206 0.042 Uiso 1 1 calc R . .
H60B H 0.7226 0.4287 0.1625 0.042 Uiso 1 1 calc R . .
H60C H 0.6691 0.5106 0.2010 0.042 Uiso 1 1 calc R . .
C9 C 0.5991(3) 0.8014(3) 0.5000(2) 0.0407(8) Uani 1 1 d . . .
H9A H 0.6690 0.7741 0.5056 0.061 Uiso 1 1 calc R . .
H9B H 0.5438 0.7526 0.5164 0.061 Uiso 1 1 calc R . .
H9C H 0.6205 0.8783 0.5248 0.061 Uiso 1 1 calc R . .
C42 C 1.0649(4) 0.5387(4) 0.1090(2) 0.0600(13) Uani 1 1 d . . .
H42A H 1.0503 0.5570 0.0648 0.090 Uiso 1 1 calc R . .
H42B H 1.1067 0.4801 0.1121 0.090 Uiso 1 1 calc R . .
H42C H 1.1120 0.6061 0.1417 0.090 Uiso 1 1 calc R . .
C63 C 0.1552(6) 0.9256(5) 0.1168(3) 0.0828(17) Uani 1 1 d . . .
H63A H 0.1436 0.9986 0.1063 0.099 Uiso 1 1 calc R . .
H63B H 0.0885 0.8892 0.1307 0.099 Uiso 1 1 calc R . .
C62 C 0.2655(8) 1.0235(5) 0.2266(3) 0.100(2) Uani 1 1 d . . .
H62A H 0.1959 0.9986 0.2409 0.120 Uiso 1 1 calc R . .
H62B H 0.2658 1.0982 0.2148 0.120 Uiso 1 1 calc R . .
C61 C 0.3679(8) 1.0351(5) 0.2813(4) 0.118(3) Uani 1 1 d . . .
H61A H 0.3736 0.9606 0.2903 0.177 Uiso 1 1 calc R . .
H61B H 0.3626 1.0802 0.3204 0.177 Uiso 1 1 calc R . .
H61C H 0.4371 1.0723 0.2706 0.177 Uiso 1 1 calc R . .
C64 C 0.1513(5) 0.8565(7) 0.0572(4) 0.118(3) Uani 1 1 d . . .
H64A H 0.2038 0.8989 0.0366 0.176 Uiso 1 1 calc R . .
H64B H 0.0717 0.8344 0.0269 0.176 Uiso 1 1 calc R . .
H64C H 0.1758 0.7891 0.0677 0.176 Uiso 1 1 calc R . .
O1 O 0.2550(3) 0.9470(3) 0.1697(2) 0.0744(10) Uani 1 1 d . . .
O2 O 0.5000 0.5000 0.5000 0.0755(18) Uani 1 2 d SD . .
C65A C 0.3785(6) 0.5028(6) 0.4658(4) 0.0359(19) Uani 0.522(10) 1 d PD A 1
H65A H 0.3275 0.4556 0.4861 0.043 Uiso 0.522(10) 1 calc PR A 1
H65B H 0.3744 0.5809 0.4776 0.043 Uiso 0.522(10) 1 calc PR A 1
C65B C 0.4514(7) 0.4763(6) 0.4399(4) 0.040(2) Uani 0.478(10) 1 d PD A 2
H65C H 0.4598 0.4006 0.4259 0.048 Uiso 0.478(10) 1 calc PR A 2
H65D H 0.5010 0.5283 0.4211 0.048 Uiso 0.478(10) 1 calc PR A 2
C66 C 0.3310(5) 0.4736(5) 0.4036(5) 0.121(3) Uani 1 1 d D . .
H66A H 0.2512 0.4815 0.3919 0.182 Uiso 0.50 1 calc PR A 1
H66B H 0.3295 0.3952 0.3898 0.182 Uiso 0.50 1 calc PR A 1
H66C H 0.3758 0.5218 0.3814 0.182 Uiso 0.50 1 calc PR A 1
H66D H 0.3865 0.4508 0.3834 0.182 Uiso 0.50 1 calc PR A 1
H66E H 0.3082 0.5371 0.3856 0.182 Uiso 0.50 1 calc PR A 1
H66F H 0.2619 0.4105 0.3940 0.182 Uiso 0.50 1 calc PR 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 0.0033 0.0016 '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'
O O 0.0106 0.0060 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Ge1 C31 124.46(11) . .
C2 C1 C6 118.6(2) . .
C2 C1 Ge1 127.99(19) . .
C6 C1 Ge1 109.35(18) . .
C3 C2 C1 120.4(2) . .
C3 C2 C13 117.6(2) . .
C1 C2 C13 121.9(2) . .
C4 C3 C2 118.8(3) . .
C4 C3 C7 118.3(3) . .
C2 C3 C7 122.9(3) . .
C5 C4 C3 122.6(3) . .
C5 C4 H4 118.7 . .
C3 C4 H4 118.7 . .
C4 C5 C6 118.4(2) . .
C4 C5 C10 119.3(2) . .
C6 C5 C10 122.3(2) . .
C5 C6 C1 121.2(2) . .
C5 C6 C22 118.7(2) . .
C1 C6 C22 120.0(2) . .
C9 C7 C8 109.7(3) . .
C9 C7 C3 111.8(3) . .
C8 C7 C3 111.6(3) . .
C9 C7 H7 107.8 . .
C8 C7 H7 107.8 . .
C3 C7 H7 107.8 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C5 C10 C11 110.7(2) . .
C5 C10 C12 112.9(2) . .
C11 C10 C12 109.9(2) . .
C5 C10 H10 107.7 . .
C11 C10 H10 107.7 . .
C12 C10 H10 107.7 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C18 C13 C14 119.8(2) . .
C18 C13 C2 120.2(2) . .
C14 C13 C2 119.6(2) . .
C15 C14 C13 119.2(3) . .
C15 C14 C19 120.3(3) . .
C13 C14 C19 120.4(3) . .
C16 C15 C14 121.4(3) . .
C16 C15 H15 119.3 . .
C14 C15 H15 119.3 . .
C17 C16 C15 118.5(3) . .
C17 C16 C20 120.3(3) . .
C15 C16 C20 121.2(3) . .
C16 C17 C18 122.1(3) . .
C16 C17 H17 119.0 . .
C18 C17 H17 119.0 . .
C17 C18 C13 119.0(3) . .
C17 C18 C21 120.3(3) . .
C13 C18 C21 120.7(3) . .
C14 C19 H19A 109.5 . .
C14 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C14 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C16 C20 H20A 109.5 . .
C16 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C16 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C18 C21 H21A 109.5 . .
C18 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C18 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C27 C22 C23 119.8(2) . .
C27 C22 C6 122.7(2) . .
C23 C22 C6 117.3(2) . .
C24 C23 C22 119.2(2) . .
C24 C23 C28 120.7(2) . .
C22 C23 C28 119.9(2) . .
C23 C24 C25 122.0(3) . .
C23 C24 H24 119.0 . .
C25 C24 H24 119.0 . .
C26 C25 C24 118.0(3) . .
C26 C25 C29 122.1(3) . .
C24 C25 C29 119.9(3) . .
C25 C26 C27 122.5(3) . .
C25 C26 H26 118.8 . .
C27 C26 H26 118.8 . .
C26 C27 C22 118.4(2) . .
C26 C27 C30 119.6(2) . .
C22 C27 C30 122.0(2) . .
C23 C28 H28A 109.5 . .
C23 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C23 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C25 C29 H29A 109.5 . .
C25 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C25 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32 C31 C36 118.7(2) . .
C32 C31 Ge1 129.5(2) . .
C36 C31 Ge1 108.28(19) . .
C31 C32 C33 120.1(2) . .
C31 C32 C43 121.5(2) . .
C33 C32 C43 118.3(2) . .
C34 C33 C32 119.0(3) . .
C34 C33 C37 118.5(3) . .
C32 C33 C37 122.5(3) . .
C33 C34 C35 122.6(3) . .
C33 C34 H34 118.7 . .
C35 C34 H34 118.7 . .
C34 C35 C36 118.0(3) . .
C34 C35 C40 119.6(3) . .
C36 C35 C40 122.3(3) . .
C35 C36 C31 121.5(3) . .
C35 C36 C52 117.7(2) . .
C31 C36 C52 120.4(2) . .
C38 C37 C33 112.4(3) . .
C38 C37 C39 109.7(3) . .
C33 C37 C39 111.6(3) . .
C38 C37 H37 107.6 . .
C33 C37 H37 107.6 . .
C39 C37 H37 107.6 . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C42 C40 C41 110.2(3) . .
C42 C40 C35 111.1(3) . .
C41 C40 C35 112.6(3) . .
C42 C40 H40 107.6 . .
C41 C40 H40 107.6 . .
C35 C40 H40 107.6 . .
C40 C41 H41A 109.5 . .
C40 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C40 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C48 C43 C44 119.9(3) . .
C48 C43 C32 120.3(2) . .
C44 C43 C32 119.5(2) . .
C45 C44 C43 119.2(3) . .
C45 C44 C49 120.8(3) . .
C43 C44 C49 120.0(3) . .
C46 C45 C44 121.8(3) . .
C46 C45 H45 119.1 . .
C44 C45 H45 119.1 . .
C45 C46 C47 118.3(3) . .
C45 C46 C50 120.7(4) . .
C47 C46 C50 121.0(4) . .
C46 C47 C48 122.1(3) . .
C46 C47 H47 119.0 . .
C48 C47 H47 119.0 . .
C43 C48 C47 118.6(3) . .
C43 C48 C51 120.7(3) . .
C47 C48 C51 120.8(3) . .
C44 C49 H49A 109.5 . .
C44 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C44 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C46 C50 H50A 109.5 . .
C46 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C46 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C48 C51 H51A 109.5 . .
C48 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C48 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C53 C52 C57 120.2(2) . .
C53 C52 C36 122.6(2) . .
C57 C52 C36 116.8(2) . .
C54 C53 C52 118.7(2) . .
C54 C53 C58 119.0(3) . .
C52 C53 C58 122.3(2) . .
C55 C54 C53 122.1(3) . .
C55 C54 H54 119.0 . .
C53 C54 H54 119.0 . .
C54 C55 C56 118.1(2) . .
C54 C55 C59 121.8(3) . .
C56 C55 C59 120.1(2) . .
C57 C56 C55 121.8(3) . .
C57 C56 H56 119.1 . .
C55 C56 H56 119.1 . .
C56 C57 C52 119.0(2) . .
C56 C57 C60 120.4(3) . .
C52 C57 C60 120.5(2) . .
C53 C58 H58A 109.5 . .
C53 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C53 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C55 C59 H59A 109.5 . .
C55 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C55 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C57 C60 H60A 109.5 . .
C57 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C57 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C40 C42 H42A 109.5 . .
C40 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C40 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
O1 C63 C64 117.2(5) . .
O1 C63 H63A 108.0 . .
C64 C63 H63A 108.0 . .
O1 C63 H63B 108.0 . .
C64 C63 H63B 108.0 . .
H63A C63 H63B 107.2 . .
O1 C62 C61 114.8(6) . .
O1 C62 H62A 108.6 . .
C61 C62 H62A 108.6 . .
O1 C62 H62B 108.6 . .
C61 C62 H62B 108.6 . .
H62A C62 H62B 107.5 . .
C62 C61 H61A 109.5 . .
C62 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C62 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C63 C64 H64A 109.5 . .
C63 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C63 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C63 O1 C62 118.2(5) . .
C65B O2 C65B 180.0(7) . 2_666
C65B O2 C65A 125.8(5) . 2_666
C65B O2 C65A 54.2(5) 2_666 2_666
C65B O2 C65A 54.2(5) . .
C65B O2 C65A 125.8(5) 2_666 .
C65A O2 C65A 179.998(2) 2_666 .
C66 C65A O2 123.3(5) . .
C66 C65A H65A 106.5 . .
O2 C65A H65A 106.5 . .
C66 C65A H65B 106.5 . .
O2 C65A H65B 106.5 . .
H65A C65A H65B 106.5 . .
O2 C65B C66 128.2(7) . .
O2 C65B H65C 105.3 . .
C66 C65B H65C 105.3 . .
O2 C65B H65D 105.3 . .
C66 C65B H65D 105.3 . .
H65C C65B H65D 106.0 . .
C65A C66 C65B 54.2(5) . .
C65A C66 H66A 109.5 . .
C65B C66 H66A 163.6 . .
C65A C66 H66B 109.5 . .
C65B C66 H66B 80.3 . .
H66A C66 H66B 109.5 . .
C65A C66 H66C 109.5 . .
C65B C66 H66C 78.1 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C65A C66 H66D 109.5 . .
C65B C66 H66D 55.3 . .
H66A C66 H66D 141.1 . .
H66B C66 H66D 56.3 . .
H66C C66 H66D 56.3 . .
C65A C66 H66E 109.5 . .
C65B C66 H66E 123.9 . .
H66A C66 H66E 56.3 . .
H66B C66 H66E 141.1 . .
H66C C66 H66E 56.3 . .
H66D C66 H66E 109.5 . .
C65A C66 H66F 109.5 . .
C65B C66 H66F 126.6 . .
H66A C66 H66F 56.3 . .
H66B C66 H66F 56.3 . .
H66C C66 H66F 141.1 . .
H66D C66 H66F 109.5 . .
H66E C66 H66F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 C1 2.051(3) .
Ge1 C31 2.054(3) .
C1 C2 1.412(4) .
C1 C6 1.418(4) .
C2 C3 1.411(4) .
C2 C13 1.498(4) .
C3 C4 1.392(4) .
C3 C7 1.530(4) .
C4 C5 1.390(4) .
C4 H4 0.9300 .
C5 C6 1.401(4) .
C5 C10 1.528(4) .
C6 C22 1.506(4) .
C7 C9 1.516(5) .
C7 C8 1.528(5) .
C7 H7 0.9800 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C10 C11 1.531(4) .
C10 C12 1.531(4) .
C10 H10 0.9800 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C18 1.401(4) .
C13 C14 1.406(4) .
C14 C15 1.393(4) .
C14 C19 1.508(4) .
C15 C16 1.388(5) .
C15 H15 0.9300 .
C16 C17 1.383(5) .
C16 C20 1.515(4) .
C17 C18 1.388(4) .
C17 H17 0.9300 .
C18 C21 1.516(4) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C27 1.406(4) .
C22 C23 1.416(4) .
C23 C24 1.384(4) .
C23 C28 1.505(4) .
C24 C25 1.390(4) .
C24 H24 0.9300 .
C25 C26 1.385(4) .
C25 C29 1.515(4) .
C26 C27 1.396(4) .
C26 H26 0.9300 .
C27 C30 1.508(4) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.408(4) .
C31 C36 1.413(4) .
C32 C33 1.415(4) .
C32 C43 1.500(4) .
C33 C34 1.388(4) .
C33 C37 1.527(4) .
C34 C35 1.389(4) .
C34 H34 0.9300 .
C35 C36 1.403(4) .
C35 C40 1.527(4) .
C36 C52 1.515(4) .
C37 C38 1.524(5) .
C37 C39 1.534(5) .
C37 H37 0.9800 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 C42 1.520(6) .
C40 C41 1.526(6) .
C40 H40 0.9800 .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C43 C48 1.400(4) .
C43 C44 1.401(4) .
C44 C45 1.392(4) .
C44 C49 1.507(5) .
C45 C46 1.380(5) .
C45 H45 0.9300 .
C46 C47 1.381(5) .
C46 C50 1.515(4) .
C47 C48 1.400(4) .
C47 H47 0.9300 .
C48 C51 1.508(4) .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C52 C53 1.400(4) .
C52 C57 1.407(4) .
C53 C54 1.398(4) .
C53 C58 1.509(4) .
C54 C55 1.385(4) .
C54 H54 0.9300 .
C55 C56 1.395(4) .
C55 C59 1.510(4) .
C56 C57 1.390(4) .
C56 H56 0.9300 .
C57 C60 1.511(4) .
C58 H58A 0.9600 .
C58 H58B 0.9600 .
C58 H58C 0.9600 .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C60 H60A 0.9600 .
C60 H60B 0.9600 .
C60 H60C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C63 O1 1.352(7) .
C63 C64 1.410(9) .
C63 H63A 0.9700 .
C63 H63B 0.9700 .
C62 O1 1.388(7) .
C62 C61 1.411(9) .
C62 H62A 0.9700 .
C62 H62B 0.9700 .
C61 H61A 0.9600 .
C61 H61B 0.9600 .
C61 H61C 0.9600 .
C64 H64A 0.9600 .
C64 H64B 0.9600 .
C64 H64C 0.9600 .
O2 C65B 1.211(8) .
O2 C65B 1.211(8) 2_666
O2 C65A 1.462(7) 2_666
O2 C65A 1.462(7) .
C65A C66 1.250(10) .
C65A H65A 0.9700 .
C65A H65B 0.9700 .
C65B C66 1.442(9) .
C65B H65C 0.9700 .
C65B H65D 0.9700 .
C66 H66A 0.9600 .
C66 H66B 0.9600 .
C66 H66C 0.9600 .
C66 H66D 0.9600 .
C66 H66E 0.9600 .
C66 H66F 0.9600 .
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
C31 Ge1 C1 C2 71.1(3) .
C31 Ge1 C1 C6 -132.34(18) .
C6 C1 C2 C3 0.1(4) .
Ge1 C1 C2 C3 154.7(2) .
C6 C1 C2 C13 -178.8(2) .
Ge1 C1 C2 C13 -24.1(4) .
C1 C2 C3 C4 0.3(4) .
C13 C2 C3 C4 179.2(3) .
C1 C2 C3 C7 -178.6(3) .
C13 C2 C3 C7 0.3(4) .
C2 C3 C4 C5 0.1(5) .
C7 C3 C4 C5 179.1(3) .
C3 C4 C5 C6 -0.9(5) .
C3 C4 C5 C10 -179.2(3) .
C4 C5 C6 C1 1.3(4) .
C10 C5 C6 C1 179.5(2) .
C4 C5 C6 C22 178.2(2) .
C10 C5 C6 C22 -3.6(4) .
C2 C1 C6 C5 -0.9(4) .
Ge1 C1 C6 C5 -160.0(2) .
C2 C1 C6 C22 -177.7(2) .
Ge1 C1 C6 C22 23.2(3) .
C4 C3 C7 C9 -62.1(4) .
C2 C3 C7 C9 116.8(3) .
C4 C3 C7 C8 61.2(4) .
C2 C3 C7 C8 -119.9(3) .
C4 C5 C10 C11 72.7(3) .
C6 C5 C10 C11 -105.6(3) .
C4 C5 C10 C12 -51.0(4) .
C6 C5 C10 C12 130.8(3) .
C3 C2 C13 C18 -87.1(3) .
C1 C2 C13 C18 91.8(3) .
C3 C2 C13 C14 85.2(3) .
C1 C2 C13 C14 -95.9(3) .
C18 C13 C14 C15 -1.6(4) .
C2 C13 C14 C15 -174.0(3) .
C18 C13 C14 C19 175.1(3) .
C2 C13 C14 C19 2.8(4) .
C13 C14 C15 C16 2.0(4) .
C19 C14 C15 C16 -174.8(3) .
C14 C15 C16 C17 -0.7(4) .
C14 C15 C16 C20 -180.0(3) .
C15 C16 C17 C18 -0.9(4) .
C20 C16 C17 C18 178.3(3) .
C16 C17 C18 C13 1.3(4) .
C16 C17 C18 C21 -179.7(3) .
C14 C13 C18 C17 0.0(4) .
C2 C13 C18 C17 172.3(3) .
C14 C13 C18 C21 -179.0(3) .
C2 C13 C18 C21 -6.7(4) .
C5 C6 C22 C27 93.6(3) .
C1 C6 C22 C27 -89.5(3) .
C5 C6 C22 C23 -81.3(3) .
C1 C6 C22 C23 95.6(3) .
C27 C22 C23 C24 2.6(4) .
C6 C22 C23 C24 177.7(2) .
C27 C22 C23 C28 -173.0(2) .
C6 C22 C23 C28 2.0(4) .
C22 C23 C24 C25 0.1(4) .
C28 C23 C24 C25 175.7(3) .
C23 C24 C25 C26 -1.7(4) .
C23 C24 C25 C29 179.0(3) .
C24 C25 C26 C27 0.5(4) .
C29 C25 C26 C27 179.8(3) .
C25 C26 C27 C22 2.1(4) .
C25 C26 C27 C30 -176.0(3) .
C23 C22 C27 C26 -3.7(4) .
C6 C22 C27 C26 -178.5(2) .
C23 C22 C27 C30 174.4(3) .
C6 C22 C27 C30 -0.3(4) .
C1 Ge1 C31 C32 65.8(3) .
C1 Ge1 C31 C36 -136.15(18) .
C36 C31 C32 C33 0.1(4) .
Ge1 C31 C32 C33 156.1(2) .
C36 C31 C32 C43 179.6(3) .
Ge1 C31 C32 C43 -24.3(4) .
C31 C32 C33 C34 -1.5(5) .
C43 C32 C33 C34 178.9(3) .
C31 C32 C33 C37 177.0(3) .
C43 C32 C33 C37 -2.6(5) .
C32 C33 C34 C35 2.5(6) .
C37 C33 C34 C35 -176.0(3) .
C33 C34 C35 C36 -1.9(6) .
C33 C34 C35 C40 179.2(4) .
C34 C35 C36 C31 0.4(5) .
C40 C35 C36 C31 179.2(3) .
C34 C35 C36 C52 174.3(3) .
C40 C35 C36 C52 -6.9(5) .
C32 C31 C36 C35 0.5(4) .
Ge1 C31 C36 C35 -160.2(3) .
C32 C31 C36 C52 -173.2(3) .
Ge1 C31 C36 C52 26.0(3) .
C34 C33 C37 C38 -64.2(4) .
C32 C33 C37 C38 117.3(3) .
C34 C33 C37 C39 59.6(4) .
C32 C33 C37 C39 -118.9(3) .
C34 C35 C40 C42 71.0(5) .
C36 C35 C40 C42 -107.9(4) .
C34 C35 C40 C41 -53.2(5) .
C36 C35 C40 C41 128.0(4) .
C31 C32 C43 C48 96.0(3) .
C33 C32 C43 C48 -84.5(4) .
C31 C32 C43 C44 -90.1(3) .
C33 C32 C43 C44 89.5(3) .
C48 C43 C44 C45 -3.4(4) .
C32 C43 C44 C45 -177.4(3) .
C48 C43 C44 C49 173.8(3) .
C32 C43 C44 C49 -0.2(4) .
C43 C44 C45 C46 2.9(5) .
C49 C44 C45 C46 -174.3(3) .
C44 C45 C46 C47 0.0(5) .
C44 C45 C46 C50 -178.8(3) .
C45 C46 C47 C48 -2.5(5) .
C50 C46 C47 C48 176.3(3) .
C44 C43 C48 C47 1.0(4) .
C32 C43 C48 C47 174.9(3) .
C44 C43 C48 C51 -179.0(3) .
C32 C43 C48 C51 -5.1(4) .
C46 C47 C48 C43 2.0(4) .
C46 C47 C48 C51 -178.0(3) .
C35 C36 C52 C53 91.2(4) .
C31 C36 C52 C53 -94.8(3) .
C35 C36 C52 C57 -81.7(3) .
C31 C36 C52 C57 92.3(3) .
C57 C52 C53 C54 -2.8(4) .
C36 C52 C53 C54 -175.4(2) .
C57 C52 C53 C58 175.8(2) .
C36 C52 C53 C58 3.2(4) .
C52 C53 C54 C55 2.1(4) .
C58 C53 C54 C55 -176.5(2) .
C53 C54 C55 C56 -0.2(4) .
C53 C54 C55 C59 178.4(3) .
C54 C55 C56 C57 -1.1(4) .
C59 C55 C56 C57 -179.7(3) .
C55 C56 C57 C52 0.4(4) .
C55 C56 C57 C60 176.8(3) .
C53 C52 C57 C56 1.6(4) .
C36 C52 C57 C56 174.6(2) .
C53 C52 C57 C60 -174.8(2) .
C36 C52 C57 C60 -1.8(4) .
C64 C63 O1 C62 174.0(6) .
C61 C62 O1 C63 175.7(6) .
C65B O2 C65A C66 2.6(7) .
C65B O2 C65A C66 -177.4(7) 2_666
C65A O2 C65A C66 51(15) 2_666
C65B O2 C65B C66 43(27) 2_666
C65A O2 C65B C66 177.6(6) 2_666
C65A O2 C65B C66 -2.4(6) .
O2 C65A C66 C65B -2.2(6) .
O2 C65B C66 C65A 2.8(7) .
