#------------------------------------------------------------------------------
#$Date: 2025-04-05 05:08:11 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298766 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/42/7134293.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_7134293
loop_
_publ_author_name
'Kern, Ralf H.'
'Schmiedel, Paul L.'
'Schubert, Hartmut'
'Wesemann, Lars'
_publ_section_title
;
 Heterocycles in reactions with boradigermaallyl.
;
_journal_issue                   25
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4844
_journal_page_last               4847
_journal_paper_doi               10.1039/d5cc00639b
_journal_volume                  61
_journal_year                    2025
_chemical_formula_sum            'C96 H126 B Cl Ge2 O2'
_chemical_formula_weight         1503.40
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-01-30 deposited with the CCDC.	2025-02-26 downloaded from the CCDC.
;
_cell_angle_alpha                106.8640(10)
_cell_angle_beta                 90.2630(10)
_cell_angle_gamma                106.2950(10)
_cell_formula_units_Z            4
_cell_length_a                   18.6730(4)
_cell_length_b                   21.1109(4)
_cell_length_c                   23.3610(5)
_cell_measurement_reflns_used    9462
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.14
_cell_measurement_theta_min      2.39
_cell_volume                     8421.8(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_publication_material  Platon,Wingx,Shelxle,DSR
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_unetI/netI     0.0240
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            388583
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.182
_diffrn_reflns_theta_min         1.394
_exptl_absorpt_coefficient_mu    0.793
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6919
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.186
_exptl_crystal_description       prism
_exptl_crystal_F_000             3216
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.389
_refine_diff_density_min         -0.629
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1977
_refine_ls_number_reflns         45311
_refine_ls_number_restraints     399
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0371P)²+9.9091P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0940
_refine_ls_wR_factor_ref         0.1011
_reflns_Friedel_coverage         0.000
_reflns_number_gt                37679
_reflns_number_total             45311
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5cc00639b3.cif
_cod_data_source_block           RK364_0m_a
_cod_depositor_comments
'Adding full bibliography for 7134290--7134293.cif.'
_cod_database_code               7134293
_shelx_shelxl_version_number     2019/3
_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.
;
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 0.12910(2) 0.75242(2) 0.84588(2) 0.01132(4) Uani 1 1 d . . . . .
Cl2 Cl 0.11401(3) 0.93453(2) 0.99290(2) 0.02779(10) Uani 1 1 d . . . . .
Cl1 Cl 0.37147(3) 0.05331(2) 0.49589(2) 0.02873(10) Uani 1 1 d . . . . .
O4 O 0.14309(6) 0.83070(6) 0.90911(5) 0.0147(2) Uani 1 1 d . . . . .
O3 O 0.33796(7) 0.15412(6) 0.58014(5) 0.0171(2) Uani 1 1 d . . . . .
Ge4 Ge 0.34584(2) 0.23135(2) 0.64297(2) 0.01326(4) Uani 1 1 d . . . . .
O2 O 0.01693(7) 0.78920(6) 0.78343(5) 0.0150(2) Uani 1 1 d . . . . .
O1 O 0.45550(7) 0.19954(6) 0.70985(5) 0.0169(2) Uani 1 1 d . . . . .
C7 C -0.05477(9) 0.82325(8) 0.86247(7) 0.0133(3) Uani 1 1 d . . . . .
C8 C 0.23209(9) 0.67232(8) 0.79750(7) 0.0138(3) Uani 1 1 d . . . . .
C9 C 0.22111(9) 0.72376(8) 0.84845(7) 0.0128(3) Uani 1 1 d . . . . .
C10 C 0.14530(9) 0.79954(9) 0.78410(7) 0.0149(3) Uani 1 1 d . . . . .
C11 C 0.53726(10) 0.17080(9) 0.63776(7) 0.0159(3) Uani 1 1 d . . . . .
C12 C 0.03142(9) 0.79007(9) 0.96786(7) 0.0146(3) Uani 1 1 d . . . . .
H12 H 0.008729 0.809902 1.005002 0.018 Uiso 1 1 calc R U . . .
C13 C 0.03005(9) 0.69534(8) 0.85824(7) 0.0133(3) Uani 1 1 d . . . . .
H130 H 0.006562 0.653993 0.822892 0.016 Uiso 1 1 calc R U . . .
C14 C 0.24034(9) 0.30995(9) 0.68651(7) 0.0155(3) Uani 1 1 d . . . . .
C15 C 0.64489(9) 0.34891(9) 0.70713(7) 0.0153(3) Uani 1 1 d . . . . .
C16 C -0.14711(10) 0.60177(9) 0.77372(8) 0.0184(3) Uani 1 1 d . . . . .
C17 C -0.16751(9) 0.70385(8) 0.96656(7) 0.0129(3) Uani 1 1 d . . . . .
C18 C -0.01676(9) 0.89318(9) 0.79371(8) 0.0160(3) Uani 1 1 d . . . . .
C19 C 0.38583(10) 0.16458(9) 0.72248(7) 0.0167(3) Uani 1 1 d . . . . .
C20 C 0.08685(9) 0.82126(9) 0.76852(7) 0.0157(3) Uani 1 1 d . . . . .
C21 C 0.16933(9) 0.61645(8) 0.75602(7) 0.0146(3) Uani 1 1 d . . . . .
C22 C 0.66114(10) 0.32169(9) 0.75251(8) 0.0164(3) Uani 1 1 d . . . . .
C23 C 0.62230(9) 0.29457(8) 0.59323(7) 0.0139(3) Uani 1 1 d . . . . .
C24 C -0.24421(9) 0.68369(9) 0.97428(8) 0.0157(3) Uani 1 1 d . . . . .
H24 H -0.259406 0.686571 1.013482 0.019 Uiso 1 1 calc R U . . .
C25 C 0.60653(9) 0.40001(9) 0.72052(7) 0.0152(3) Uani 1 1 d . . . . .
C26 C 0.15396(10) 0.61539(9) 0.69652(8) 0.0176(3) Uani 1 1 d . . . . .
C27 C 0.25267(9) 0.25693(9) 0.63770(7) 0.0151(3) Uani 1 1 d . . . . .
C28 C -0.01970(9) 0.83613(8) 0.81324(7) 0.0142(3) Uani 1 1 d . . . . .
C29 C 0.32666(10) 0.18373(9) 0.70436(7) 0.0168(3) Uani 1 1 d . . . . .
C30 C 0.57884(10) 0.41682(9) 0.77656(8) 0.0169(3) Uani 1 1 d . . . . .
H30 H 0.551207 0.449492 0.784962 0.020 Uiso 1 1 calc R U . . .
C31 C 0.45273(10) 0.19868(9) 0.52610(7) 0.0161(3) Uani 1 1 d . . . . .
H31 H 0.478655 0.180252 0.490466 0.019 Uiso 1 1 calc R U . . .
C32 C 0.30433(10) 0.66803(9) 0.78626(8) 0.0174(3) Uani 1 1 d . . . . .
H32 H 0.311136 0.634030 0.751576 0.021 Uiso 1 1 calc R U . . .
C33 C 0.58307(11) 0.12921(9) 0.61347(8) 0.0205(3) Uani 1 1 d . . . . .
H33 H 0.612518 0.138033 0.582024 0.025 Uiso 1 1 calc R U . . .
C34 C 0.36733(10) 0.43951(9) 0.82353(8) 0.0170(3) Uani 1 1 d . . . . .
H34 H 0.382142 0.441911 0.863247 0.020 Uiso 1 1 calc R U . . .
C35 C 0.15384(10) 0.55282(9) 0.83545(8) 0.0170(3) Uani 1 1 d . . . . .
H35 H 0.169863 0.600680 0.864407 0.020 Uiso 1 1 calc R U . . .
C36 C 0.65168(10) 0.29008(8) 0.53683(7) 0.0152(3) Uani 1 1 d . . . . .
C37 C -0.14384(9) 0.70119(8) 0.90850(7) 0.0122(3) Uani 1 1 d . . . . .
C38 C 0.60068(10) 0.43987(9) 0.67639(8) 0.0167(3) Uani 1 1 d . . . . .
H38 H 0.588228 0.405875 0.635165 0.020 Uiso 1 1 calc R U . . .
C39 C 0.49820(9) 0.15630(8) 0.68500(7) 0.0154(3) Uani 1 1 d . . . . .
C40 C 0.44448(9) 0.29167(9) 0.63459(7) 0.0150(3) Uani 1 1 d . . . . .
H40 H 0.464863 0.333258 0.670437 0.018 Uiso 1 1 calc R U . . .
C41 C 0.28358(9) 0.76437(8) 0.89069(7) 0.0145(3) Uani 1 1 d . . . . .
C42 C 0.09433(10) 0.87520(9) 0.74379(8) 0.0186(3) Uani 1 1 d . . . . .
C43 C 0.30109(9) 0.37149(9) 0.72580(7) 0.0148(3) Uani 1 1 d . . . . .
C44 C 0.32131(9) 0.37655(9) 0.78535(8) 0.0160(3) Uani 1 1 d . . . . .
C45 C -0.18058(9) 0.65555(9) 0.79541(7) 0.0157(3) Uani 1 1 d . . . . .
C46 C 0.32751(9) 0.43059(9) 0.70574(8) 0.0160(3) Uani 1 1 d . . . . .
C47 C 0.37935(11) 0.11207(9) 0.74880(8) 0.0194(3) Uani 1 1 d . . . . .
C48 C 0.49783(10) 0.10182(9) 0.70754(8) 0.0176(3) Uani 1 1 d . . . . .
C49 C 0.24113(11) 0.70453(10) 0.98967(8) 0.0218(4) Uani 1 1 d . . . . .
H49 H 0.209917 0.680981 0.950296 0.026 Uiso 1 1 calc R U . . .
C50 C 0.57168(11) 0.18191(10) 0.37769(8) 0.0220(4) Uani 1 1 d . . . . .
H50 H 0.569539 0.137901 0.350619 0.026 Uiso 1 1 calc R U . . .
C51 C -0.27556(9) 0.65235(9) 0.86873(8) 0.0165(3) Uani 1 1 d . . . . .
H51 H -0.312253 0.633506 0.835199 0.020 Uiso 1 1 calc R U . . .
C52 C 0.30575(10) 0.88396(9) 0.96457(8) 0.0194(3) Uani 1 1 d . . . . .
C53 C -0.11704(9) 0.72498(9) 1.02333(7) 0.0143(3) Uani 1 1 d . . . . .
C54 C -0.09146(10) 0.92750(9) 0.87469(8) 0.0201(3) Uani 1 1 d . . . . .
H54 H -0.117047 0.958961 0.895775 0.024 Uiso 1 1 calc R U . . .
C55 C -0.05357(10) 0.93922(9) 0.82583(8) 0.0178(3) Uani 1 1 d . . . . .
H55 H -0.052836 0.978999 0.814306 0.021 Uiso 1 1 calc R U . . .
C56 C 0.60723(10) 0.26491(9) 0.47651(7) 0.0157(3) Uani 1 1 d . . . . .
C57 C -0.13709(10) 0.55721(9) 0.81258(8) 0.0185(3) Uani 1 1 d . . . . .
H57 H -0.112826 0.589017 0.852853 0.022 Uiso 1 1 calc R U . . .
C58 C -0.09225(10) 0.87013(9) 0.89302(8) 0.0177(3) Uani 1 1 d . . . . .
H58 H -0.118376 0.862763 0.926424 0.021 Uiso 1 1 calc R U . . .
C59 C 0.22584(10) 0.88056(10) 0.73984(8) 0.0206(3) Uani 1 1 d . . . . .
H59 H 0.273626 0.899365 0.727734 0.025 Uiso 1 1 calc R U . . .
C60 C 0.37199(10) 0.49210(9) 0.74576(8) 0.0170(3) Uani 1 1 d . . . . .
H60 H 0.389504 0.531435 0.732032 0.020 Uiso 1 1 calc R U . . .
C61 C 0.28965(10) 0.31802(9) 0.81177(8) 0.0186(3) Uani 1 1 d . . . . .
H61 H 0.262741 0.275995 0.778078 0.022 Uiso 1 1 calc R U . . .
C62 C 0.13180(9) 0.55837(9) 0.77462(8) 0.0156(3) Uani 1 1 d . . . . .
C63 C 0.32921(11) 0.91704(9) 0.91504(9) 0.0220(4) Uani 1 1 d . . . . .
H63 H 0.313736 0.879549 0.875748 0.026 Uiso 1 1 calc R U . . .
C64 C 0.59043(10) 0.38721(9) 0.82062(8) 0.0177(3) Uani 1 1 d . . . . .
C65 C 0.09924(10) 0.55889(9) 0.65833(8) 0.0202(3) Uani 1 1 d . . . . .
H65 H 0.088179 0.559193 0.618690 0.024 Uiso 1 1 calc R U . . .
C66 C 0.35517(9) 0.75869(9) 0.87739(8) 0.0177(3) Uani 1 1 d . . . . .
H66 H 0.397152 0.787268 0.905175 0.021 Uiso 1 1 calc R U . . .
C67 C 0.67275(10) 0.33013(8) 0.64604(7) 0.0150(3) Uani 1 1 d . . . . .
C68 C 0.28092(9) 0.81153(9) 0.95249(8) 0.0162(3) Uani 1 1 d . . . . .
C69 C 0.26197(10) 0.78252(9) 0.99979(8) 0.0180(3) Uani 1 1 d . . . . .
C70 C 0.72939(10) 0.31402(9) 0.53457(8) 0.0184(3) Uani 1 1 d . . . . .
H70 H 0.748958 0.309253 0.496592 0.022 Uiso 1 1 calc R U . . .
C71 C 0.30148(10) 0.42978(9) 0.64348(8) 0.0180(3) Uani 1 1 d . . . . .
H71 H 0.288169 0.380791 0.616820 0.022 Uiso 1 1 calc R U . . .
C72 C 0.16580(11) 0.90383(10) 0.72847(8) 0.0221(4) Uani 1 1 d . . . . .
H72 H 0.173669 0.939595 0.710086 0.026 Uiso 1 1 calc R U . . .
C73 C 0.71214(10) 0.27530(9) 0.74433(8) 0.0198(3) Uani 1 1 d . . . . .
H73 H 0.716090 0.256655 0.700306 0.024 Uiso 1 1 calc R U . . .
C74 C -0.19950(9) 0.67218(8) 0.85931(7) 0.0133(3) Uani 1 1 d . . . . .
C75 C 0.19030(10) 0.21076(9) 0.59746(8) 0.0181(3) Uani 1 1 d . . . . .
C76 C 0.21626(10) 0.83003(9) 0.76875(8) 0.0175(3) Uani 1 1 d . . . . .
H76 H 0.257985 0.816221 0.778091 0.021 Uiso 1 1 calc R U . . .
C77 C 0.60485(10) 0.20030(9) 0.43601(8) 0.0177(3) Uani 1 1 d . . . . .
C78 C -0.10526(10) 0.79104(9) 1.06510(8) 0.0175(3) Uani 1 1 d . . . . .
C79 C 0.45056(11) 0.09405(9) 0.76004(8) 0.0203(3) Uani 1 1 d . . . . .
C80 C 0.04795(9) 0.67760(9) 0.91366(8) 0.0169(3) Uani 1 1 d . . . . .
H80 H 0.057507 0.635003 0.911042 0.020 Uiso 1 1 calc R U . . .
C81 C 0.42913(10) 0.30884(9) 0.57800(8) 0.0181(3) Uani 1 1 d . . . . .
H81 H 0.417620 0.350355 0.579615 0.022 Uiso 1 1 calc R U . . .
C82 C 0.35098(11) 0.30024(10) 0.84226(9) 0.0239(4) Uani 1 1 d . . . . .
H82A H 0.329484 0.256356 0.850889 0.036 Uiso 1 1 calc R U . . .
H82B H 0.371900 0.337135 0.879874 0.036 Uiso 1 1 calc R U . . .
H82C H 0.390773 0.295857 0.815515 0.036 Uiso 1 1 calc R U . . .
C83 C 0.16720(10) 0.31043(10) 0.69816(8) 0.0200(3) Uani 1 1 d . . . . .
H83 H 0.159190 0.345650 0.731250 0.024 Uiso 1 1 calc R U . . .
C84 C 0.68366(11) 0.21369(10) 0.76873(9) 0.0230(4) Uani 1 1 d . . . . .
H84A H 0.632216 0.187662 0.751324 0.035 Uiso 1 1 calc R U . . .
H84B H 0.684578 0.230573 0.812556 0.035 Uiso 1 1 calc R U . . .
H84C H 0.715942 0.183389 0.757915 0.035 Uiso 1 1 calc R U . . .
C85 C 0.58564(11) 0.07497(10) 0.63521(9) 0.0233(4) Uani 1 1 d . . . . .
H85 H 0.617106 0.047259 0.618499 0.028 Uiso 1 1 calc R U . . .
C86 C 0.19524(10) 0.16170(10) 0.53726(8) 0.0200(3) Uani 1 1 d . . . . .
C87 C -0.20144(10) 0.68799(9) 0.75574(8) 0.0204(3) Uani 1 1 d . . . . .
C88 C 0.39204(9) 0.49849(9) 0.80542(8) 0.0165(3) Uani 1 1 d . . . . .
C89 C -0.06266(11) 0.80740(10) 1.11946(8) 0.0238(4) Uani 1 1 d . . . . .
H89 H -0.054300 0.852077 1.147588 0.029 Uiso 1 1 calc R U . . .
C90 C 0.30776(11) 0.08181(10) 0.76244(8) 0.0223(4) Uani 1 1 d . . . . .
H90 H 0.300194 0.046374 0.781179 0.027 Uiso 1 1 calc R U . . .
C91 C 0.02526(10) 0.89930(10) 0.73837(8) 0.0199(3) Uani 1 1 d . . . . .
C92 C 0.54276(11) 0.06077(9) 0.68109(8) 0.0217(4) Uani 1 1 d . . . . .
H92 H 0.544176 0.022687 0.694473 0.026 Uiso 1 1 calc R U . . .
C93 C 0.67622(11) 0.49336(10) 0.67695(9) 0.0239(4) Uani 1 1 d . . . . .
H93A H 0.714761 0.469694 0.666356 0.036 Uiso 1 1 calc R U . . .
H93B H 0.690251 0.526923 0.717161 0.036 Uiso 1 1 calc R U . . .
H93C H 0.671813 0.517558 0.647703 0.036 Uiso 1 1 calc R U . . .
C94 C -0.13879(10) 0.84439(9) 1.05271(8) 0.0198(3) Uani 1 1 d . . . . .
H94 H -0.158914 0.827012 1.009476 0.024 Uiso 1 1 calc R U . . .
C95 C -0.21254(10) 0.50990(10) 0.82211(9) 0.0220(3) Uani 1 1 d . . . . .
H95A H -0.237156 0.477637 0.783270 0.033 Uiso 1 1 calc R U . . .
H95B H -0.244720 0.538250 0.840627 0.033 Uiso 1 1 calc R U . . .
H95C H -0.203739 0.483712 0.848502 0.033 Uiso 1 1 calc R U . . .
C96 C 0.57643(10) 0.31038(9) 0.45752(8) 0.0178(3) Uani 1 1 d . . . . .
C97 C 0.07895(10) 0.50306(9) 0.73422(8) 0.0188(3) Uani 1 1 d . . . . .
H97 H 0.054402 0.464061 0.746742 0.023 Uiso 1 1 calc R U . . .
C98 C 0.56019(11) 0.40945(10) 0.88123(8) 0.0205(3) Uani 1 1 d . . . . .
H98 H 0.514141 0.422537 0.874293 0.025 Uiso 1 1 calc R U . . .
C99 C -0.08793(9) 0.67573(9) 1.03745(8) 0.0174(3) Uani 1 1 d . . . . .
C100 C -0.12905(11) 0.58711(10) 0.71421(9) 0.0257(4) Uani 1 1 d . . . . .
H100 H -0.104506 0.552578 0.699582 0.031 Uiso 1 1 calc R U . . .
C101 C 0.36630(10) 0.71266(9) 0.82495(8) 0.0192(3) Uani 1 1 d . . . . .
H101 H 0.415479 0.711586 0.815572 0.023 Uiso 1 1 calc R U . . .
C102 C -0.10413(11) 0.60226(10) 0.99494(8) 0.0212(4) Uani 1 1 d . . . . .
H102 H -0.108640 0.604702 0.953014 0.025 Uiso 1 1 calc R U . . .
C103 C 0.58116(11) 0.38228(10) 0.49900(8) 0.0213(4) Uani 1 1 d . . . . .
H103 H 0.575734 0.378751 0.540624 0.026 Uiso 1 1 calc R U . . .
C104 C 0.63265(10) 0.34103(9) 0.80826(8) 0.0186(3) Uani 1 1 d . . . . .
H104 H 0.642567 0.321923 0.838511 0.022 Uiso 1 1 calc R U . . .
C105 C 0.06044(10) 0.50240(9) 0.67607(8) 0.0197(3) Uani 1 1 d . . . . .
C106 C 0.77811(10) 0.34431(9) 0.58613(8) 0.0198(3) Uani 1 1 d . . . . .
H106 H 0.830700 0.358198 0.583669 0.024 Uiso 1 1 calc R U . . .
C107 C 0.04972(9) 0.72472(9) 0.96672(8) 0.0169(3) Uani 1 1 d . . . . .
H107 H 0.062327 0.717015 1.003063 0.020 Uiso 1 1 calc R U . . .
C108 C -0.29816(9) 0.65973(9) 0.92605(8) 0.0169(3) Uani 1 1 d . . . . .
H108 H -0.349901 0.648525 0.932167 0.020 Uiso 1 1 calc R U . . .
C109 C 0.21512(11) 0.18804(10) 0.48869(8) 0.0238(4) Uani 1 1 d . . . . .
C110 C 0.15031(12) 0.05796(10) 0.57788(9) 0.0258(4) Uani 1 1 d . . . . .
H110 H 0.158194 0.096766 0.616201 0.031 Uiso 1 1 calc R U . . .
C111 C 0.51991(12) 0.41213(11) 0.48384(10) 0.0286(4) Uani 1 1 d . . . . .
H11A H 0.528872 0.423623 0.446242 0.043 Uiso 1 1 calc R U . . .
H11B H 0.521004 0.454061 0.516344 0.043 Uiso 1 1 calc R U . . .
H11C H 0.470776 0.377739 0.479250 0.043 Uiso 1 1 calc R U . . .
C112 C -0.24796(11) 0.73827(10) 0.77319(9) 0.0247(4) Uani 1 1 d . . . . .
H112 H -0.246821 0.753698 0.817991 0.030 Uiso 1 1 calc R U . . .
C113 C 0.74931(10) 0.35423(9) 0.64165(8) 0.0194(3) Uani 1 1 d . . . . .
H113 H 0.782389 0.377849 0.677212 0.023 Uiso 1 1 calc R U . . .
C114 C 0.24723(11) 0.10283(10) 0.74895(8) 0.0218(4) Uani 1 1 d . . . . .
H114 H 0.199295 0.083053 0.760304 0.026 Uiso 1 1 calc R U . . .
C115 C 0.50835(11) 0.60331(10) 0.82900(9) 0.0277(4) Uani 1 1 d . . . . .
H11D H 0.501010 0.604602 0.787831 0.042 Uiso 1 1 calc R U . . .
H11E H 0.542959 0.576351 0.830468 0.042 Uiso 1 1 calc R U . . .
H11F H 0.529330 0.650621 0.855922 0.042 Uiso 1 1 calc R U . . .
C116 C 0.63720(11) 0.14924(9) 0.45395(8) 0.0194(3) Uani 1 1 d . . . . .
H116 H 0.656280 0.169790 0.497397 0.023 Uiso 1 1 calc R U . . .
C117 C 0.54077(11) 0.47748(10) 0.68772(9) 0.0230(4) Uani 1 1 d . . . . .
H11G H 0.535838 0.496114 0.654540 0.035 Uiso 1 1 calc R U . . .
H11H H 0.555291 0.515528 0.725450 0.035 Uiso 1 1 calc R U . . .
H11I H 0.492731 0.444954 0.690429 0.035 Uiso 1 1 calc R U . . .
C118 C 0.43280(10) 0.56942(9) 0.84898(8) 0.0189(3) Uani 1 1 d . . . . .
H118 H 0.400469 0.600010 0.848985 0.023 Uiso 1 1 calc R U . . .
C119 C 0.09085(11) 0.50853(10) 0.86150(9) 0.0243(4) Uani 1 1 d . . . . .
H11J H 0.045943 0.523702 0.860635 0.036 Uiso 1 1 calc R U . . .
H11K H 0.106777 0.513762 0.903065 0.036 Uiso 1 1 calc R U . . .
H11L H 0.079530 0.459791 0.837446 0.036 Uiso 1 1 calc R U . . .
C120 C 0.53793(12) 0.35239(11) 0.91140(9) 0.0252(4) Uani 1 1 d . . . . .
H12A H 0.503906 0.310539 0.883275 0.038 Uiso 1 1 calc R U . . .
H12B H 0.512701 0.367883 0.947223 0.038 Uiso 1 1 calc R U . . .
H12C H 0.582915 0.342153 0.923068 0.038 Uiso 1 1 calc R U . . .
C121 C 0.17420(11) 0.08976(10) 0.52784(8) 0.0235(4) Uani 1 1 d . . . . .
C122 C 0.43253(10) 0.26292(9) 0.52575(8) 0.0185(3) Uani 1 1 d . . . . .
H122 H 0.422363 0.270605 0.488846 0.022 Uiso 1 1 calc R U . . .
C123 C -0.21886(12) 0.80296(11) 0.75274(10) 0.0308(5) Uani 1 1 d . . . . .
H12D H -0.227199 0.789938 0.708884 0.046 Uiso 1 1 calc R U . . .
H12E H -0.165118 0.823746 0.765203 0.046 Uiso 1 1 calc R U . . .
H12F H -0.245658 0.836512 0.771054 0.046 Uiso 1 1 calc R U . . .
C124 C 0.19983(11) 0.67111(10) 0.67085(8) 0.0220(4) Uani 1 1 d . . . . .
H124 H 0.230373 0.710531 0.705059 0.026 Uiso 1 1 calc R U . . .
C126 C 0.54406(11) 0.28943(10) 0.39857(8) 0.0218(4) Uani 1 1 d . . . . .
H126 H 0.522947 0.319707 0.385857 0.026 Uiso 1 1 calc R U . . .
C127 C 0.30975(11) 0.92580(10) 1.02348(9) 0.0254(4) Uani 1 1 d . . . . .
H127 H 0.326027 0.974676 1.031701 0.031 Uiso 1 1 calc R U . . .
C128 C 0.36080(11) 0.47384(10) 0.61445(8) 0.0231(4) Uani 1 1 d . . . . .
H12G H 0.407959 0.462550 0.616857 0.035 Uiso 1 1 calc R U . . .
H12H H 0.368749 0.523024 0.635692 0.035 Uiso 1 1 calc R U . . .
H12I H 0.343647 0.464117 0.572227 0.035 Uiso 1 1 calc R U . . .
C129 C 0.26706(11) 0.82709(11) 1.05806(8) 0.0234(4) Uani 1 1 d . . . . .
H129 H 0.253899 0.807861 1.089983 0.028 Uiso 1 1 calc R U . . .
C130 C 0.79141(11) 0.31761(11) 0.77476(10) 0.0265(4) Uani 1 1 d . . . . .
H13A H 0.824107 0.287541 0.767739 0.040 Uiso 1 1 calc R U . . .
H13B H 0.789014 0.336486 0.818054 0.040 Uiso 1 1 calc R U . . .
H13C H 0.811540 0.355699 0.757837 0.040 Uiso 1 1 calc R U . . .
C131 C -0.02579(12) 0.85056(11) 0.68136(9) 0.0280(4) Uani 1 1 d . . . . .
H13D H 0.001318 0.852676 0.645820 0.042 Uiso 1 1 calc R U . . .
H13E H -0.070812 0.865086 0.678626 0.042 Uiso 1 1 calc R U . . .
H13F H -0.040279 0.802990 0.683463 0.042 Uiso 1 1 calc R U . . .
C132 C 0.25570(10) 0.15234(9) 0.71911(8) 0.0189(3) Uani 1 1 d . . . . .
H132 H 0.213426 0.164809 0.708767 0.023 Uiso 1 1 calc R U . . .
C133 C 0.11787(10) 0.21262(10) 0.61129(9) 0.0225(4) Uani 1 1 d . . . . .
H133 H 0.076033 0.180429 0.585121 0.027 Uiso 1 1 calc R U . . .
C134 C -0.04597(10) 0.69498(11) 1.09265(8) 0.0237(4) Uani 1 1 d . . . . .
H134 H -0.026247 0.662121 1.102381 0.028 Uiso 1 1 calc R U . . .
C135 C 0.19599(12) 0.67965(12) 1.03797(10) 0.0297(4) Uani 1 1 d . . . . .
H13G H 0.154634 0.700197 1.045573 0.044 Uiso 1 1 calc R U . . .
H13H H 0.228774 0.693851 1.075152 0.044 Uiso 1 1 calc R U . . .
H13I H 0.175776 0.629054 1.023960 0.044 Uiso 1 1 calc R U . . .
C136 C 0.54156(11) 0.22600(10) 0.35780(8) 0.0238(4) Uani 1 1 d . . . . .
C137 C 0.49407(12) 0.14714(11) 0.81879(9) 0.0285(4) Uani 1 1 d . . . . .
H13J H 0.539716 0.135859 0.827130 0.043 Uiso 1 1 calc R U . . .
H13K H 0.462539 0.145500 0.852064 0.043 Uiso 1 1 calc R U . . .
H13L H 0.507559 0.193735 0.814454 0.043 Uiso 1 1 calc R U . . .
C138 C 0.22106(11) 0.52374(11) 0.83162(9) 0.0255(4) Uani 1 1 d . . . . .
H13M H 0.207535 0.477418 0.802305 0.038 Uiso 1 1 calc R U . . .
H13N H 0.234908 0.520905 0.871117 0.038 Uiso 1 1 calc R U . . .
H13O H 0.263596 0.554364 0.818996 0.038 Uiso 1 1 calc R U . . .
C139 C 0.23240(12) 0.33536(11) 0.85608(9) 0.0272(4) Uani 1 1 d . . . . .
H13P H 0.192817 0.345347 0.835678 0.041 Uiso 1 1 calc R U . . .
H13Q H 0.257543 0.375988 0.890010 0.041 Uiso 1 1 calc R U . . .
H13R H 0.210313 0.295831 0.870830 0.041 Uiso 1 1 calc R U . . .
C140 C 0.23025(11) 0.45315(11) 0.64583(9) 0.0272(4) Uani 1 1 d . . . . .
H14A H 0.213363 0.451034 0.605359 0.041 Uiso 1 1 calc R U . . .
H14B H 0.241253 0.500793 0.672444 0.041 Uiso 1 1 calc R U . . .
H14C H 0.190778 0.422495 0.661200 0.041 Uiso 1 1 calc R U . . .
C141 C -0.04299(12) 0.56771(11) 0.99887(10) 0.0295(4) Uani 1 1 d . . . . .
H14D H -0.053228 0.524258 0.965943 0.044 Uiso 1 1 calc R U . . .
H14E H -0.042534 0.557989 1.037401 0.044 Uiso 1 1 calc R U . . .
H14F H 0.005882 0.598773 0.995779 0.044 Uiso 1 1 calc R U . . .
C142 C 0.29094(12) 0.97221(10) 0.91425(10) 0.0280(4) Uani 1 1 d . . . . .
H14G H 0.305699 0.989728 0.880213 0.042 Uiso 1 1 calc R U . . .
H14H H 0.306202 1.010467 0.951797 0.042 Uiso 1 1 calc R U . . .
H14I H 0.236428 0.951729 0.910236 0.042 Uiso 1 1 calc R U . . .
C143 C 0.15170(13) 0.69931(11) 0.63732(9) 0.0307(4) Uani 1 1 d . . . . .
H14J H 0.183749 0.738933 0.626688 0.046 Uiso 1 1 calc R U . . .
H14K H 0.114483 0.714102 0.663131 0.046 Uiso 1 1 calc R U . . .
H14L H 0.126036 0.662973 0.600659 0.046 Uiso 1 1 calc R U . . .
C144 C 0.10593(10) 0.26033(10) 0.66223(9) 0.0240(4) Uani 1 1 d . . . . .
H144 H 0.056453 0.258842 0.672510 0.029 Uiso 1 1 calc R U . . .
C145 C 0.23051(14) 0.26483(11) 0.49589(9) 0.0325(5) Uani 1 1 d . . . . .
H145 H 0.259662 0.291425 0.535780 0.039 Uiso 1 1 calc R U . . .
C146 C 0.25395(13) 0.64313(11) 0.62843(9) 0.0308(4) Uani 1 1 d . . . . .
H14M H 0.225230 0.604373 0.594437 0.046 Uiso 1 1 calc R U . . .
H14N H 0.286741 0.627150 0.650213 0.046 Uiso 1 1 calc R U . . .
H14O H 0.284411 0.679995 0.613554 0.046 Uiso 1 1 calc R U . . .
C147 C 0.19770(14) 0.01170(11) 0.58567(10) 0.0330(5) Uani 1 1 d . . . . .
H14P H 0.190430 -0.027390 0.548950 0.049 Uiso 1 1 calc R U . . .
H14Q H 0.182189 -0.005773 0.619605 0.049 Uiso 1 1 calc R U . . .
H14R H 0.250738 0.038720 0.593413 0.049 Uiso 1 1 calc R U . . .
C148 C -0.03208(11) 0.76035(12) 1.13374(8) 0.0273(4) Uani 1 1 d . . . . .
C149 C 0.65780(12) 0.43361(10) 0.49974(9) 0.0278(4) Uani 1 1 d . . . . .
H14S H 0.666135 0.436059 0.458951 0.042 Uiso 1 1 calc R U . . .
H14T H 0.697045 0.418116 0.514492 0.042 Uiso 1 1 calc R U . . .
H14U H 0.659295 0.479527 0.526257 0.042 Uiso 1 1 calc R U . . .
C150 C 0.29075(12) 0.89854(11) 1.07071(9) 0.0266(4) Uani 1 1 d . . . . .
C151 C -0.20448(12) 0.85200(12) 1.09075(10) 0.0304(4) Uani 1 1 d . . . . .
H15A H -0.224134 0.887513 1.083090 0.046 Uiso 1 1 calc R U . . .
H15B H -0.187076 0.865656 1.133426 0.046 Uiso 1 1 calc R U . . .
H15C H -0.244168 0.807681 1.080010 0.046 Uiso 1 1 calc R U . . .
C152 C 0.57688(13) 0.08019(10) 0.44650(10) 0.0315(4) Uani 1 1 d . . . . .
H15D H 0.557305 0.058898 0.404162 0.047 Uiso 1 1 calc R U . . .
H15E H 0.535984 0.088486 0.470923 0.047 Uiso 1 1 calc R U . . .
H15F H 0.598815 0.049086 0.459656 0.047 Uiso 1 1 calc R U . . .
C153 C -0.17921(11) 0.55556(10) 1.00527(10) 0.0270(4) Uani 1 1 d . . . . .
H15G H -0.219533 0.575002 0.999305 0.040 Uiso 1 1 calc R U . . .
H15H H -0.176900 0.552850 1.046379 0.040 Uiso 1 1 calc R U . . .
H15I H -0.189077 0.509054 0.976709 0.040 Uiso 1 1 calc R U . . .
C154 C 0.04771(12) 0.97382(11) 0.73553(10) 0.0285(4) Uani 1 1 d . . . . .
H15P H 0.075919 0.976513 0.700606 0.043 Uiso 1 1 calc R U . . .
H15Q H 0.079016 1.004760 0.772253 0.043 Uiso 1 1 calc R U . . .
H15R H 0.002551 0.987873 0.731910 0.043 Uiso 1 1 calc R U . . .
C155 C 0.41482(12) 0.94765(12) 0.91966(11) 0.0339(5) Uani 1 1 d . . . . .
H15J H 0.438411 0.910791 0.915957 0.051 Uiso 1 1 calc R U . . .
H15K H 0.432078 0.983171 0.958622 0.051 Uiso 1 1 calc R U . . .
H15L H 0.428563 0.968487 0.887345 0.051 Uiso 1 1 calc R U . . .
C156 C 0.17616(14) 0.04594(11) 0.47081(9) 0.0323(5) Uani 1 1 d . . . . .
H156 H 0.161525 -0.002641 0.464443 0.039 Uiso 1 1 calc R U . . .
C157 C 0.21673(13) 0.14169(12) 0.43251(9) 0.0315(5) Uani 1 1 d . . . . .
H157 H 0.230588 0.159199 0.399722 0.038 Uiso 1 1 calc R U . . .
C158 C 0.43303(12) 0.02094(10) 0.76576(10) 0.0288(4) Uani 1 1 d . . . . .
H15M H 0.405684 -0.012823 0.728429 0.043 Uiso 1 1 calc R U . . .
H15N H 0.402257 0.017611 0.799245 0.043 Uiso 1 1 calc R U . . .
H15O H 0.479943 0.011219 0.773273 0.043 Uiso 1 1 calc R U . . .
C159 C -0.18256(12) 0.67029(11) 0.69663(9) 0.0291(4) Uani 1 1 d . . . . .
H159 H -0.195578 0.692821 0.670134 0.035 Uiso 1 1 calc R U . . .
C160 C -0.14590(13) 0.62155(11) 0.67561(9) 0.0317(5) Uani 1 1 d . . . . .
C161 C 0.44393(13) 0.56981(11) 0.91400(9) 0.0294(4) Uani 1 1 d . . . . .
H16A H 0.395189 0.551550 0.927874 0.044 Uiso 1 1 calc R U . . .
H16B H 0.467771 0.617343 0.939524 0.044 Uiso 1 1 calc R U . . .
H16C H 0.475971 0.540783 0.916258 0.044 Uiso 1 1 calc R U . . .
C162 C -0.08735(11) 0.51143(10) 0.78686(10) 0.0276(4) Uani 1 1 d . . . . .
H16D H -0.112461 0.476448 0.749318 0.041 Uiso 1 1 calc R U . . .
H16E H -0.078131 0.488419 0.815829 0.041 Uiso 1 1 calc R U . . .
H16F H -0.039538 0.540032 0.778903 0.041 Uiso 1 1 calc R U . . .
C163 C 0.70314(14) 0.13715(13) 0.41812(10) 0.0350(5) Uani 1 1 d . . . . .
H16G H 0.686053 0.117803 0.375192 0.052 Uiso 1 1 calc R U . . .
H16H H 0.723038 0.104662 0.430974 0.052 Uiso 1 1 calc R U . . .
H16I H 0.742530 0.181261 0.425244 0.052 Uiso 1 1 calc R U . . .
B1 B 0.09812(10) 0.84455(10) 0.95212(8) 0.0143(3) Uani 1 1 d . . . . .
Ge2 Ge -0.04054(2) 0.75058(2) 0.89393(2) 0.01077(4) Uani 1 1 d . . . . .
C165 C -0.33041(12) 0.70168(13) 0.74711(12) 0.0368(5) Uani 1 1 d . . . . .
H16J H -0.333109 0.687259 0.703123 0.055 Uiso 1 1 calc R U . . .
H16K H -0.360337 0.733704 0.760924 0.055 Uiso 1 1 calc R U . . .
H16L H -0.350064 0.660892 0.760734 0.055 Uiso 1 1 calc R U . . .
C166 C -0.08071(12) 0.91515(10) 1.06326(11) 0.0316(4) Uani 1 1 d . . . . .
H16M H -0.039058 0.909800 1.038788 0.047 Uiso 1 1 calc R U . . .
H16N H -0.061792 0.934477 1.105826 0.047 Uiso 1 1 calc R U . . .
H16O H -0.104083 0.946475 1.051931 0.047 Uiso 1 1 calc R U . . .
C167 C 0.61706(15) 0.47388(12) 0.92299(10) 0.0403(6) Uani 1 1 d . . . . .
H16P H 0.662823 0.462604 0.930997 0.060 Uiso 1 1 calc R U . . .
H16Q H 0.595722 0.489617 0.960902 0.060 Uiso 1 1 calc R U . . .
H16R H 0.629083 0.510714 0.903821 0.060 Uiso 1 1 calc R U . . .
C168 C 0.27590(14) 0.28918(13) 0.44779(10) 0.0373(5) Uani 1 1 d . . . . .
H16S H 0.245474 0.269228 0.409015 0.056 Uiso 1 1 calc R U . . .
H16T H 0.321181 0.274068 0.444660 0.056 Uiso 1 1 calc R U . . .
H16U H 0.290107 0.339838 0.458910 0.056 Uiso 1 1 calc R U . . .
C169 C 0.19864(14) 0.07065(12) 0.42318(10) 0.0356(5) Uani 1 1 d . . . . .
C170 C 0.29646(15) 0.94491(13) 1.13515(9) 0.0372(5) Uani 1 1 d . . . . .
H170 H 0.282864 0.913479 1.160762 0.045 Uiso 1 1 calc R U . . .
C171 C 0.31099(14) 0.67975(12) 0.98560(12) 0.0380(5) Uani 1 1 d . . . . .
H17A H 0.296167 0.629823 0.979955 0.057 Uiso 1 1 calc R U . . .
H17B H 0.344201 0.704209 1.022773 0.057 Uiso 1 1 calc R U . . .
H17C H 0.337359 0.689359 0.951480 0.057 Uiso 1 1 calc R U . . .
B2 B 0.38540(11) 0.14244(10) 0.53862(8) 0.0171(4) Uani 1 1 d . . . . .
Ge3 Ge 0.51952(2) 0.24015(2) 0.60303(2) 0.01287(4) Uani 1 1 d . . . . .
C173 C 0.54335(17) 0.16418(13) 0.24691(10) 0.0417(6) Uani 1 1 d . . . . .
H17D H 0.520852 0.157505 0.206814 0.063 Uiso 1 1 calc R U . . .
H17E H 0.537547 0.118971 0.252830 0.063 Uiso 1 1 calc R U . . .
H17F H 0.596747 0.189468 0.250638 0.063 Uiso 1 1 calc R U . . .
C174 C 0.47899(14) 0.20912(13) -0.00290(12) 0.0393(5) Uani 1 1 d . . . . .
H17G H 0.486952 0.232130 -0.034707 0.047 Uiso 1 1 calc R U . . .
H17H H 0.507719 0.242728 0.034597 0.047 Uiso 1 1 calc R U . . .
C175 C 0.06664(13) 0.01754(13) 0.56765(11) 0.0368(5) Uani 1 1 d . . . . .
H17I H 0.037097 0.048687 0.565598 0.055 Uiso 1 1 calc R U . . .
H17J H 0.052439 -0.001471 0.600956 0.055 Uiso 1 1 calc R U . . .
H17K H 0.056970 -0.020382 0.529853 0.055 Uiso 1 1 calc R U . . .
C177 C 0.50424(15) 0.20561(12) 0.29436(9) 0.0350(5) Uani 1 1 d . . . . .
H177 H 0.506811 0.249303 0.284706 0.042 Uiso 1 1 calc R U . . .
C178 C 0.39632(15) 0.19018(14) 0.00671(13) 0.0438(6) Uani 1 1 d . . . . .
H17L H 0.368578 0.152730 -0.029256 0.053 Uiso 1 1 calc R U . . .
H17M H 0.378520 0.230955 0.009933 0.053 Uiso 1 1 calc R U . . .
C181 C 0.50928(14) 0.14730(13) -0.02062(11) 0.0390(5) Uani 1 1 d . . . . .
H18A H 0.481360 0.113849 -0.057872 0.058 Uiso 1 1 calc R U . . .
H18B H 0.503614 0.125360 0.011421 0.058 Uiso 1 1 calc R U . . .
H18C H 0.562445 0.162713 -0.026872 0.058 Uiso 1 1 calc R U . . .
C182 C 0.24033(17) 0.98547(14) 1.14332(11) 0.0452(6) Uani 1 1 d . . . . .
H18D H 0.250932 1.016519 1.118316 0.068 Uiso 1 1 calc R U . . .
H18E H 0.243955 1.012836 1.185604 0.068 Uiso 1 1 calc R U . . .
H18F H 0.189650 0.953388 1.131345 0.068 Uiso 1 1 calc R U . . .
C184 C 0.1573(2) 0.28358(17) 0.49612(15) 0.0605(9) Uani 1 1 d . . . . .
H18G H 0.168396 0.333529 0.502870 0.091 Uiso 1 1 calc R U . . .
H18H H 0.128867 0.270830 0.528286 0.091 Uiso 1 1 calc R U . . .
H18I H 0.127692 0.258421 0.457333 0.091 Uiso 1 1 calc R U . . .
C186 C 0.42167(17) 0.16659(17) 0.29255(13) 0.0565(8) Uani 1 1 d . . . . .
H18J H 0.397083 0.155527 0.252242 0.085 Uiso 1 1 calc R U . . .
H18K H 0.397575 0.195538 0.321923 0.085 Uiso 1 1 calc R U . . .
H18L H 0.417262 0.123624 0.302342 0.085 Uiso 1 1 calc R U . . .
C188 C 0.29216(18) 0.14911(15) 0.06807(16) 0.0580(8) Uani 1 1 d . . . . .
H18M H 0.274965 0.188926 0.068138 0.087 Uiso 1 1 calc R U . . .
H18N H 0.281991 0.138225 0.105800 0.087 Uiso 1 1 calc R U . . .
H18O H 0.265555 0.109020 0.034225 0.087 Uiso 1 1 calc R U . . .
C189 C 0.37670(18) 0.16658(15) 0.06187(14) 0.0542(7) Uani 1 1 d . . . . .
H18P H 0.403833 0.203717 0.098247 0.065 Uiso 1 1 calc R U . . .
H18Q H 0.393246 0.125179 0.058822 0.065 Uiso 1 1 calc R U . . .
C190 C 0.2030(2) 0.01996(15) 0.36246(11) 0.0547(8) Uani 1 1 d . . . . .
H190 H 0.198256 -0.024875 0.370718 0.066 Uiso 1 1 calc R U . . .
C191 C 0.37521(18) 0.98977(19) 1.15681(13) 0.0673(10) Uani 1 1 d . . . . .
H19G H 0.408975 0.960753 1.150927 0.101 Uiso 1 1 calc R U . . .
H19H H 0.377874 1.014886 1.199610 0.101 Uiso 1 1 calc R U . . .
H19I H 0.390239 1.022987 1.134053 0.101 Uiso 1 1 calc R U . . .
C192 C 0.2770(2) 0.0376(2) 0.33827(14) 0.0777(12) Uani 1 1 d . . . . .
H19D H 0.278804 -0.000416 0.302856 0.117 Uiso 1 1 calc R U . . .
H19E H 0.316819 0.044885 0.369057 0.117 Uiso 1 1 calc R U . . .
H19F H 0.284216 0.080050 0.326951 0.117 Uiso 1 1 calc R U . . .
C195 C 0.1387(2) 0.0058(3) 0.32044(16) 0.1006(17) Uani 1 1 d . . . . .
H19A H 0.145417 -0.023801 0.281156 0.151 Uiso 1 1 calc R U . . .
H19B H 0.134096 0.049447 0.316458 0.151 Uiso 1 1 calc R U . . .
H19C H 0.093135 -0.017933 0.335378 0.151 Uiso 1 1 calc R U . . .
C1_1 C 0.0987(3) 0.8041(3) 1.1814(2) 0.0270(4) Uani 0.516(5) 1 d D U P A 1
H1A_1 H 0.107391 0.764758 1.150886 0.040 Uiso 0.516(5) 1 calc R U P A 1
H1B_1 H 0.131188 0.815187 1.218210 0.040 Uiso 0.516(5) 1 calc R U P A 1
H1C_1 H 0.109952 0.844401 1.166514 0.040 Uiso 0.516(5) 1 calc R U P A 1
C2_1 C 0.0146(4) 0.7851(4) 1.1954(4) 0.0273(4) Uani 0.516(5) 1 d D U P A 1
H2_1 H 0.006186 0.742920 1.208844 0.033 Uiso 0.516(5) 1 calc R U P A 1
C3_1 C -0.0083(3) 0.8378(3) 1.24581(18) 0.0409(13) Uani 0.516(5) 1 d D U P A 1
H3A_1 H 0.003188 0.882055 1.237042 0.061 Uiso 0.516(5) 1 calc R U P A 1
H3B_1 H 0.019383 0.844252 1.283823 0.061 Uiso 0.516(5) 1 calc R U P A 1
H3C_1 H -0.062210 0.820960 1.248997 0.061 Uiso 0.516(5) 1 calc R U P A 1
C1_2 C 0.0971(3) 0.8234(3) 1.1859(3) 0.0316(4) Uani 0.484(5) 1 d D U P A 2
H1A_2 H 0.122550 0.798766 1.154268 0.047 Uiso 0.484(5) 1 calc R U P A 2
H1B_2 H 0.126785 0.837624 1.224630 0.047 Uiso 0.484(5) 1 calc R U P A 2
H1C_2 H 0.091586 0.864399 1.176918 0.047 Uiso 0.484(5) 1 calc R U P A 2
C2_2 C 0.0201(5) 0.7757(4) 1.1888(4) 0.0357(15) Uani 0.484(5) 1 d D U P A 2
H2_2 H -0.001179 0.806267 1.220791 0.043 Uiso 0.484(5) 1 calc R U P A 2
C3_2 C 0.0160(2) 0.7134(3) 1.21329(19) 0.0328(12) Uani 0.484(5) 1 d D U P A 2
H3A_2 H -0.036574 0.688980 1.215109 0.049 Uiso 0.484(5) 1 calc R U P A 2
H3B_2 H 0.042441 0.730681 1.253632 0.049 Uiso 0.484(5) 1 calc R U P A 2
H3C_2 H 0.039489 0.681588 1.186494 0.049 Uiso 0.484(5) 1 calc R U P A 2
C1_3 C 0.9316(7) 0.2122(5) 0.4587(4) 0.068(3) Uani 0.577(6) 1 d D U P B 1
H1A_3 H 0.899489 0.169779 0.429861 0.103 Uiso 0.577(6) 1 calc R U P B 1
H1B_3 H 0.981518 0.224136 0.444574 0.103 Uiso 0.577(6) 1 calc R U P B 1
H1C_3 H 0.909658 0.250122 0.462438 0.103 Uiso 0.577(6) 1 calc R U P B 1
C2_3 C 0.9378(3) 0.2011(3) 0.5173(2) 0.0462(13) Uani 0.577(6) 1 d D U P B 1
H2A_3 H 0.958846 0.161955 0.512688 0.055 Uiso 0.577(6) 1 calc R U P B 1
H2B_3 H 0.973576 0.242913 0.545077 0.055 Uiso 0.577(6) 1 calc R U P B 1
C3_3 C 0.8669(3) 0.1864(2) 0.5443(2) 0.0395(11) Uani 0.577(6) 1 d D U P B 1
H3A_3 H 0.831220 0.145038 0.515878 0.047 Uiso 0.577(6) 1 calc R U P B 1
H3B_3 H 0.846357 0.225786 0.548789 0.047 Uiso 0.577(6) 1 calc R U P B 1
C4_3 C 0.8701(3) 0.1735(2) 0.6059(2) 0.0493(14) Uani 0.577(6) 1 d D U P B 1
H4A_3 H 0.891957 0.135225 0.603293 0.059 Uiso 0.577(6) 1 calc R U P B 1
H4B_3 H 0.901437 0.215675 0.636460 0.059 Uiso 0.577(6) 1 calc R U P B 1
C5_3 C 0.7901(6) 0.1547(5) 0.6232(6) 0.116(5) Uani 0.577(6) 1 d D U P B 1
H5A_3 H 0.770395 0.194229 0.628632 0.175 Uiso 0.577(6) 1 calc R U P B 1
H5B_3 H 0.789620 0.142748 0.660719 0.175 Uiso 0.577(6) 1 calc R U P B 1
H5C_3 H 0.758809 0.114902 0.591210 0.175 Uiso 0.577(6) 1 calc R U P B 1
C1_4 C 0.9302(7) 0.2360(5) 0.4706(5) 0.044(2) Uani 0.423(6) 1 d D U P B 2
H1A_4 H 0.930743 0.227314 0.427050 0.065 Uiso 0.423(6) 1 calc R U P B 2
H1B_4 H 0.975310 0.273159 0.491040 0.065 Uiso 0.423(6) 1 calc R U P B 2
H1C_4 H 0.885643 0.249897 0.483766 0.065 Uiso 0.423(6) 1 calc R U P B 2
C2_4 C 0.9287(4) 0.1725(4) 0.4854(4) 0.0506(18) Uani 0.423(6) 1 d D U P B 2
H2A_4 H 0.977570 0.163458 0.478003 0.061 Uiso 0.423(6) 1 calc R U P B 2
H2B_4 H 0.889771 0.133211 0.457727 0.061 Uiso 0.423(6) 1 calc R U P B 2
C3_4 C 0.9124(3) 0.1743(3) 0.5526(3) 0.0372(16) Uani 0.423(6) 1 d D U P B 2
H3A_4 H 0.925094 0.135092 0.560823 0.045 Uiso 0.423(6) 1 calc R U P B 2
H3B_4 H 0.946331 0.217581 0.580179 0.045 Uiso 0.423(6) 1 calc R U P B 2
C4_4 C 0.8352(5) 0.1706(4) 0.5668(4) 0.055(2) Uani 0.423(6) 1 d D U P B 2
H4A_4 H 0.801066 0.125340 0.542637 0.066 Uiso 0.423(6) 1 calc R U P B 2
H4B_4 H 0.820347 0.207470 0.556034 0.066 Uiso 0.423(6) 1 calc R U P B 2
C5_4 C 0.8279(6) 0.1793(5) 0.6337(3) 0.059(3) Uani 0.423(6) 1 d D U P B 2
H5A_4 H 0.774741 0.164918 0.640412 0.089 Uiso 0.423(6) 1 calc R U P B 2
H5B_4 H 0.850484 0.227956 0.657013 0.089 Uiso 0.423(6) 1 calc R U P B 2
H5C_4 H 0.853665 0.150487 0.646591 0.089 Uiso 0.423(6) 1 calc R U P B 2
C1_5 C 0.0209(3) 0.4177(3) 0.5723(2) 0.0308(4) Uani 0.472(7) 1 d D U P C 1
H1A_5 H -0.019785 0.378990 0.547072 0.046 Uiso 0.472(7) 1 calc R U P C 1
H1B_5 H 0.066721 0.403581 0.571888 0.046 Uiso 0.472(7) 1 calc R U P C 1
H1C_5 H 0.029657 0.457294 0.556737 0.046 Uiso 0.472(7) 1 calc R U P C 1
C2_5 C -0.0005(7) 0.4380(5) 0.6364(4) 0.0197(3) Uani 0.472(7) 1 d D U P C 1
H2_5 H -0.046236 0.453287 0.634194 0.024 Uiso 0.472(7) 1 calc R U P C 1
C3_5 C -0.0247(6) 0.3755(5) 0.6590(4) 0.0293(15) Uani 0.472(7) 1 d D U P C 1
H3A_5 H -0.061234 0.337611 0.629054 0.044 Uiso 0.472(7) 1 calc R U P C 1
H3B_5 H -0.047535 0.387697 0.696790 0.044 Uiso 0.472(7) 1 calc R U P C 1
H3C_5 H 0.019122 0.360808 0.665830 0.044 Uiso 0.472(7) 1 calc R U P C 1
C1_6 C -0.1512(2) 0.52928(18) 0.57618(14) 0.0379(8) Uani 0.789(5) 1 d D U P D 1
H1A_6 H -0.143218 0.522639 0.533667 0.057 Uiso 0.789(5) 1 calc R U P D 1
H1B_6 H -0.204234 0.508617 0.579923 0.057 Uiso 0.789(5) 1 calc R U P D 1
H1C_6 H -0.120745 0.506935 0.593209 0.057 Uiso 0.789(5) 1 calc R U P D 1
C2_6 C -0.12812(16) 0.60701(15) 0.61024(11) 0.0271(6) Uani 0.789(5) 1 d D U P D
1
H2_6 H -0.154788 0.630516 0.589670 0.033 Uiso 0.789(5) 1 calc R U P D 1
C3_6 C -0.04344(19) 0.63675(18) 0.60929(15) 0.0401(9) Uani 0.789(5) 1 d D U P D
1
H3A_6 H -0.031081 0.629315 0.567590 0.060 Uiso 0.789(5) 1 calc R U P D 1
H3B_6 H -0.017084 0.613461 0.628978 0.060 Uiso 0.789(5) 1 calc R U P D 1
H3C_6 H -0.027968 0.686506 0.630687 0.060 Uiso 0.789(5) 1 calc R U P D 1
C1_7 C -0.0623(5) 0.6573(5) 0.5978(5) 0.0220(3) Uani 0.211(5) 1 d D U P D 2
H1A_7 H -0.046824 0.642008 0.557317 0.033 Uiso 0.211(5) 1 calc R U P D 2
H1B_7 H -0.018400 0.687551 0.625509 0.033 Uiso 0.211(5) 1 calc R U P D 2
H1C_7 H -0.098726 0.682742 0.597297 0.033 Uiso 0.211(5) 1 calc R U P D 2
C2_7 C -0.0977(6) 0.5950(5) 0.6183(4) 0.0257(4) Uani 0.211(5) 1 d D U P D 2
H2_7 H -0.061783 0.570860 0.626982 0.031 Uiso 0.211(5) 1 calc R U P D 2
C3_7 C -0.1649(6) 0.5479(5) 0.5724(5) 0.0220(3) Uani 0.211(5) 1 d D U P D 2
H3A_7 H -0.203748 0.571308 0.574483 0.033 Uiso 0.211(5) 1 calc R U P D 2
H3B_7 H -0.185293 0.504336 0.581837 0.033 Uiso 0.211(5) 1 calc R U P D 2
H3C_7 H -0.148356 0.538159 0.531896 0.033 Uiso 0.211(5) 1 calc R U P D 2
C1_8 C 0.0064(3) 0.4399(3) 0.56537(18) 0.0307(4) Uani 0.528(7) 1 d D U P C 2
H1A_8 H -0.033968 0.400302 0.540733 0.046 Uiso 0.528(7) 1 calc R U P C 2
H1B_8 H 0.054946 0.433094 0.554665 0.046 Uiso 0.528(7) 1 calc R U P C 2
H1C_8 H 0.002749 0.482403 0.558155 0.046 Uiso 0.528(7) 1 calc R U P C 2
C2_8 C -0.0009(6) 0.4459(4) 0.6319(3) 0.0217(11) Uani 0.528(7) 1 d D U P C 2
H2_8 H -0.049187 0.456413 0.641715 0.026 Uiso 0.528(7) 1 calc R U P C 2
C3_8 C -0.0075(6) 0.3760(4) 0.6416(4) 0.042(2) Uani 0.528(7) 1 d D U P C 2
H3A_8 H -0.047965 0.339915 0.613752 0.063 Uiso 0.528(7) 1 calc R U P C 2
H3B_8 H -0.018493 0.378349 0.683050 0.063 Uiso 0.528(7) 1 calc R U P C 2
H3C_8 H 0.039884 0.364828 0.634362 0.063 Uiso 0.528(7) 1 calc R U P C 2
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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
_geom_angle_publ_flag
O4 Ge1 C10 95.75(6) . . ?
O4 Ge1 C13 101.39(6) . . ?
C10 Ge1 C13 123.86(7) . . ?
O4 Ge1 C9 106.01(6) . . ?
C10 Ge1 C9 102.76(7) . . ?
C13 Ge1 C9 122.30(7) . . ?
B1 O4 Ge1 128.58(11) . . ?
B2 O3 Ge4 129.17(12) . . ?
O3 Ge4 C29 95.96(6) . . ?
O3 Ge4 C40 101.30(6) . . ?
C29 Ge4 C40 124.26(7) . . ?
O3 Ge4 C27 107.13(6) . . ?
C29 Ge4 C27 101.67(7) . . ?
C40 Ge4 C27 122.23(7) . . ?
C28 O2 C20 112.61(13) . . ?
C39 O1 C19 113.19(13) . . ?
C28 C7 C58 116.68(15) . . ?
C28 C7 Ge2 121.01(12) . . ?
C58 C7 Ge2 121.79(12) . . ?
C32 C8 C9 120.17(15) . . ?
C32 C8 C21 115.80(14) . . ?
C9 C8 C21 123.82(14) . . ?
C41 C9 C8 118.11(14) . . ?
C41 C9 Ge1 121.82(12) . . ?
C8 C9 Ge1 117.89(12) . . ?
C20 C10 C76 117.01(15) . . ?
C20 C10 Ge1 116.51(12) . . ?
C76 C10 Ge1 123.61(13) . . ?
C39 C11 C33 116.39(15) . . ?
C39 C11 Ge3 120.22(13) . . ?
C33 C11 Ge3 123.11(13) . . ?
C107 C12 B1 112.89(14) . . ?
C107 C12 Ge2 97.61(11) . . ?
B1 C12 Ge2 104.38(11) . . ?
C107 C12 H12 113.5 . . ?
B1 C12 H12 113.5 . . ?
Ge2 C12 H12 113.5 . . ?
C80 C13 Ge1 102.00(11) . . ?
C80 C13 Ge2 97.27(10) . . ?
Ge1 C13 Ge2 114.10(8) . . ?
C80 C13 H130 113.9 . . ?
Ge1 C13 H130 113.9 . . ?
Ge2 C13 H130 113.9 . . ?
C83 C14 C27 119.71(16) . . ?
C83 C14 C43 115.00(15) . . ?
C27 C14 C43 125.11(15) . . ?
C22 C15 C25 119.58(15) . . ?
C22 C15 C67 122.05(15) . . ?
C25 C15 C67 118.16(14) . . ?
C100 C16 C45 118.01(17) . . ?
C100 C16 C57 120.99(17) . . ?
C45 C16 C57 120.81(15) . . ?
C24 C17 C37 120.05(15) . . ?
C24 C17 C53 114.10(14) . . ?
C37 C17 C53 125.83(14) . . ?
C55 C18 C28 116.74(15) . . ?
C55 C18 C91 125.62(15) . . ?
C28 C18 C91 117.64(15) . . ?
C29 C19 O1 114.94(15) . . ?
C29 C19 C47 125.20(17) . . ?
O1 C19 C47 119.78(16) . . ?
C10 C20 O2 115.65(14) . . ?
C10 C20 C42 125.02(16) . . ?
O2 C20 C42 119.14(15) . . ?
C26 C21 C62 119.12(16) . . ?
C26 C21 C8 121.81(15) . . ?
C62 C21 C8 118.45(15) . . ?
C104 C22 C15 118.89(16) . . ?
C104 C22 C73 118.67(15) . . ?
C15 C22 C73 122.35(15) . . ?
C36 C23 C67 117.98(15) . . ?
C36 C23 Ge3 123.62(12) . . ?
C67 C23 Ge3 117.44(12) . . ?
C108 C24 C17 121.42(15) . . ?
C108 C24 H24 119.3 . . ?
C17 C24 H24 119.3 . . ?
C30 C25 C15 118.80(15) . . ?
C30 C25 C38 120.32(15) . . ?
C15 C25 C38 120.73(15) . . ?
C65 C26 C21 119.25(16) . . ?
C65 C26 C124 118.65(16) . . ?
C21 C26 C124 121.90(16) . . ?
C75 C27 C14 118.47(15) . . ?
C75 C27 Ge4 120.49(12) . . ?
C14 C27 Ge4 118.04(12) . . ?
C7 C28 O2 115.97(14) . . ?
C7 C28 C18 124.85(15) . . ?
O2 C28 C18 119.14(14) . . ?
C19 C29 C132 116.83(16) . . ?
C19 C29 Ge4 115.71(13) . . ?
C132 C29 Ge4 125.22(13) . . ?
C64 C30 C25 122.10(16) . . ?
C64 C30 H30 118.9 . . ?
C25 C30 H30 118.9 . . ?
C122 C31 B2 112.52(14) . . ?
C122 C31 Ge3 97.26(11) . . ?
B2 C31 Ge3 104.90(11) . . ?
C122 C31 H31 113.6 . . ?
B2 C31 H31 113.6 . . ?
Ge3 C31 H31 113.6 . . ?
C101 C32 C8 121.08(16) . . ?
C101 C32 H32 119.5 . . ?
C8 C32 H32 119.5 . . ?
C85 C33 C11 120.30(17) . . ?
C85 C33 H33 119.9 . . ?
C11 C33 H33 119.9 . . ?
C88 C34 C44 122.40(16) . . ?
C88 C34 H34 118.8 . . ?
C44 C34 H34 118.8 . . ?
C62 C35 C119 114.61(15) . . ?
C62 C35 C138 110.39(14) . . ?
C119 C35 C138 108.58(15) . . ?
C62 C35 H35 107.7 . . ?
C119 C35 H35 107.7 . . ?
C138 C35 H35 107.7 . . ?
C70 C36 C23 119.50(16) . . ?
C70 C36 C56 113.94(14) . . ?
C23 C36 C56 126.48(15) . . ?
C74 C37 C17 117.60(14) . . ?
C74 C37 Ge2 117.82(11) . . ?
C17 C37 Ge2 123.66(12) . . ?
C117 C38 C25 114.66(14) . . ?
C117 C38 C93 108.10(15) . . ?
C25 C38 C93 110.57(14) . . ?
C117 C38 H38 107.8 . . ?
C25 C38 H38 107.8 . . ?
C93 C38 H38 107.8 . . ?
O1 C39 C11 115.54(14) . . ?
O1 C39 C48 119.10(15) . . ?
C11 C39 C48 125.34(16) . . ?
C81 C40 Ge4 102.13(11) . . ?
C81 C40 Ge3 97.19(10) . . ?
Ge4 C40 Ge3 113.98(8) . . ?
C81 C40 H40 113.9 . . ?
Ge4 C40 H40 113.9 . . ?
Ge3 C40 H40 113.9 . . ?
C66 C41 C9 119.37(15) . . ?
C66 C41 C68 114.53(15) . . ?
C9 C41 C68 125.98(15) . . ?
C20 C42 C72 116.03(16) . . ?
C20 C42 C91 117.59(15) . . ?
C72 C42 C91 126.33(16) . . ?
C44 C43 C46 119.10(16) . . ?
C44 C43 C14 121.49(15) . . ?
C46 C43 C14 118.31(15) . . ?
C34 C44 C43 119.48(16) . . ?
C34 C44 C61 118.10(15) . . ?
C43 C44 C61 122.20(16) . . ?
C87 C45 C16 119.98(16) . . ?
C87 C45 C74 121.30(16) . . ?
C16 C45 C74 118.48(15) . . ?
C60 C46 C43 119.07(15) . . ?
C60 C46 C71 119.50(15) . . ?
C43 C46 C71 121.12(15) . . ?
C90 C47 C19 115.93(17) . . ?
C90 C47 C79 126.84(16) . . ?
C19 C47 C79 117.23(16) . . ?
C92 C48 C39 116.23(16) . . ?
C92 C48 C79 126.15(16) . . ?
C39 C48 C79 117.59(16) . . ?
C69 C49 C171 111.12(16) . . ?
C69 C49 C135 114.76(16) . . ?
C171 C49 C135 107.67(16) . . ?
C69 C49 H49 107.7 . . ?
C171 C49 H49 107.7 . . ?
C135 C49 H49 107.7 . . ?
C136 C50 C77 122.09(17) . . ?
C136 C50 H50 119.0 . . ?
C77 C50 H50 119.0 . . ?
C108 C51 C74 121.13(16) . . ?
C108 C51 H51 119.4 . . ?
C74 C51 H51 119.4 . . ?
C127 C52 C68 118.69(17) . . ?
C127 C52 C63 119.72(17) . . ?
C68 C52 C63 121.59(16) . . ?
C78 C53 C99 120.12(16) . . ?
C78 C53 C17 120.05(15) . . ?
C99 C53 C17 119.49(15) . . ?
C55 C54 C58 120.72(16) . . ?
C55 C54 H54 119.6 . . ?
C58 C54 H54 119.6 . . ?
C18 C55 C54 120.58(16) . . ?
C18 C55 H55 119.7 . . ?
C54 C55 H55 119.7 . . ?
C77 C56 C96 119.75(16) . . ?
C77 C56 C36 120.19(15) . . ?
C96 C56 C36 119.50(15) . . ?
C162 C57 C16 113.23(15) . . ?
C162 C57 C95 107.71(15) . . ?
C16 C57 C95 112.14(15) . . ?
C162 C57 H57 107.8 . . ?
C16 C57 H57 107.8 . . ?
C95 C57 H57 107.8 . . ?
C54 C58 C7 120.39(16) . . ?
C54 C58 H58 119.8 . . ?
C7 C58 H58 119.8 . . ?
C76 C59 C72 120.57(16) . . ?
C76 C59 H59 119.7 . . ?
C72 C59 H59 119.7 . . ?
C46 C60 C88 122.76(16) . . ?
C46 C60 H60 118.6 . . ?
C88 C60 H60 118.6 . . ?
C44 C61 C82 112.34(15) . . ?
C44 C61 C139 110.65(15) . . ?
C82 C61 C139 110.38(15) . . ?
C44 C61 H61 107.8 . . ?
C82 C61 H61 107.8 . . ?
C139 C61 H61 107.8 . . ?
C97 C62 C21 118.94(16) . . ?
C97 C62 C35 119.73(15) . . ?
C21 C62 C35 121.06(15) . . ?
C52 C63 C142 112.93(16) . . ?
C52 C63 C155 110.95(16) . . ?
C142 C63 C155 110.31(16) . . ?
C52 C63 H63 107.5 . . ?
C142 C63 H63 107.5 . . ?
C155 C63 H63 107.5 . . ?
C104 C64 C30 118.24(16) . . ?
C104 C64 C98 122.57(16) . . ?
C30 C64 C98 119.10(16) . . ?
C105 C65 C26 122.53(17) . . ?
C105 C65 H65 118.7 . . ?
C26 C65 H65 118.7 . . ?
C101 C66 C41 121.83(16) . . ?
C101 C66 H66 119.1 . . ?
C41 C66 H66 119.1 . . ?
C113 C67 C23 120.27(15) . . ?
C113 C67 C15 117.99(15) . . ?
C23 C67 C15 121.47(15) . . ?
C52 C68 C69 120.14(16) . . ?
C52 C68 C41 120.37(15) . . ?
C69 C68 C41 119.03(15) . . ?
C129 C69 C68 118.64(17) . . ?
C129 C69 C49 119.29(16) . . ?
C68 C69 C49 121.95(16) . . ?
C106 C70 C36 121.64(16) . . ?
C106 C70 H70 119.2 . . ?
C36 C70 H70 119.2 . . ?
C46 C71 C128 114.23(15) . . ?
C46 C71 C140 110.42(14) . . ?
C128 C71 C140 109.33(15) . . ?
C46 C71 H71 107.5 . . ?
C128 C71 H71 107.5 . . ?
C140 C71 H71 107.5 . . ?
C59 C72 C42 120.85(16) . . ?
C59 C72 H72 119.6 . . ?
C42 C72 H72 119.6 . . ?
C22 C73 C84 113.95(16) . . ?
C22 C73 C130 110.37(15) . . ?
C84 C73 C130 108.58(15) . . ?
C22 C73 H73 107.9 . . ?
C84 C73 H73 107.9 . . ?
C130 C73 H73 107.9 . . ?
C51 C74 C37 120.54(15) . . ?
C51 C74 C45 116.91(15) . . ?
C37 C74 C45 122.34(14) . . ?
C133 C75 C27 119.36(16) . . ?
C133 C75 C86 115.54(16) . . ?
C27 C75 C86 124.95(16) . . ?
C59 C76 C10 120.15(16) . . ?
C59 C76 H76 119.9 . . ?
C10 C76 H76 119.9 . . ?
C50 C77 C56 119.22(16) . . ?
C50 C77 C116 118.73(16) . . ?
C56 C77 C116 122.05(15) . . ?
C89 C78 C53 118.82(17) . . ?
C89 C78 C94 119.51(16) . . ?
C53 C78 C94 121.67(15) . . ?
C47 C79 C158 111.63(16) . . ?
C47 C79 C48 106.93(14) . . ?
C158 C79 C48 111.64(16) . . ?
C47 C79 C137 108.33(16) . . ?
C158 C79 C137 109.38(15) . . ?
C48 C79 C137 108.83(15) . . ?
C107 C80 C13 116.85(15) . . ?
C107 C80 H80 121.6 . . ?
C13 C80 H80 121.6 . . ?
C122 C81 C40 116.91(15) . . ?
C122 C81 H81 121.5 . . ?
C40 C81 H81 121.5 . . ?
C61 C82 H82A 109.5 . . ?
C61 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C61 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C144 C83 C14 121.15(17) . . ?
C144 C83 H83 119.4 . . ?
C14 C83 H83 119.4 . . ?
C73 C84 H84A 109.5 . . ?
C73 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C73 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C33 C85 C92 120.97(17) . . ?
C33 C85 H85 119.5 . . ?
C92 C85 H85 119.5 . . ?
C121 C86 C109 119.83(17) . . ?
C121 C86 C75 120.74(16) . . ?
C109 C86 C75 119.21(17) . . ?
C159 C87 C45 118.83(18) . . ?
C159 C87 C112 118.01(17) . . ?
C45 C87 C112 123.05(16) . . ?
C34 C88 C60 117.14(16) . . ?
C34 C88 C118 122.60(16) . . ?
C60 C88 C118 120.00(15) . . ?
C148 C89 C78 122.04(18) . . ?
C148 C89 H89 119.0 . . ?
C78 C89 H89 119.0 . . ?
C114 C90 C47 120.80(17) . . ?
C114 C90 H90 119.6 . . ?
C47 C90 H90 119.6 . . ?
C42 C91 C154 111.12(15) . . ?
C42 C91 C18 106.32(14) . . ?
C154 C91 C18 111.25(15) . . ?
C42 C91 C131 109.50(16) . . ?
C154 C91 C131 109.72(16) . . ?
C18 C91 C131 108.85(15) . . ?
C48 C92 C85 120.67(16) . . ?
C48 C92 H92 119.7 . . ?
C85 C92 H92 119.7 . . ?
C38 C93 H93A 109.5 . . ?
C38 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C38 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C78 C94 C166 112.63(16) . . ?
C78 C94 C151 110.79(15) . . ?
C166 C94 C151 110.05(16) . . ?
C78 C94 H94 107.7 . . ?
C166 C94 H94 107.7 . . ?
C151 C94 H94 107.7 . . ?
C57 C95 H95A 109.5 . . ?
C57 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C57 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C126 C96 C56 118.66(16) . . ?
C126 C96 C103 119.81(16) . . ?
C56 C96 C103 121.47(16) . . ?
C62 C97 C105 122.78(17) . . ?
C62 C97 H97 118.6 . . ?
C105 C97 H97 118.6 . . ?
C64 C98 C120 113.69(15) . . ?
C64 C98 C167 110.10(16) . . ?
C120 C98 C167 110.37(17) . . ?
C64 C98 H98 107.5 . . ?
C120 C98 H98 107.5 . . ?
C167 C98 H98 107.5 . . ?
C134 C99 C53 118.46(17) . . ?
C134 C99 C102 120.17(16) . . ?
C53 C99 C102 121.33(15) . . ?
C160 C100 C16 122.14(19) . . ?
C160 C100 H100 118.9 . . ?
C16 C100 H100 118.9 . . ?
C66 C101 C32 118.85(16) . . ?
C66 C101 H101 120.6 . . ?
C32 C101 H101 120.6 . . ?
C99 C102 C141 114.43(17) . . ?
C99 C102 C153 110.97(15) . . ?
C141 C102 C153 108.66(15) . . ?
C99 C102 H102 107.5 . . ?
C141 C102 H102 107.5 . . ?
C153 C102 H102 107.5 . . ?
C96 C103 C149 110.94(15) . . ?
C96 C103 C111 114.42(17) . . ?
C149 C103 C111 108.72(16) . . ?
C96 C103 H103 107.5 . . ?
C149 C103 H103 107.5 . . ?
C111 C103 H103 107.5 . . ?
C64 C104 C22 122.05(16) . . ?
C64 C104 H104 119.0 . . ?
C22 C104 H104 119.0 . . ?
C65 C105 C97 117.27(16) . . ?
C65 C105 C2_8 117.8(3) . . ?
C97 C105 C2_8 124.9(3) . . ?
C65 C105 C2_5 125.5(3) . . ?
C97 C105 C2_5 117.2(3) . . ?
C70 C106 C113 119.18(16) . . ?
C70 C106 H106 120.4 . . ?
C113 C106 H106 120.4 . . ?
C80 C107 C12 118.94(15) . . ?
C80 C107 H107 120.5 . . ?
C12 C107 H107 120.5 . . ?
C24 C108 C51 118.95(15) . . ?
C24 C108 H108 120.5 . . ?
C51 C108 H108 120.5 . . ?
C157 C109 C86 118.68(19) . . ?
C157 C109 C145 120.08(18) . . ?
C86 C109 C145 121.15(17) . . ?
C121 C110 C147 112.18(18) . . ?
C121 C110 C175 111.11(17) . . ?
C147 C110 C175 110.61(18) . . ?
C121 C110 H110 107.6 . . ?
C147 C110 H110 107.6 . . ?
C175 C110 H110 107.6 . . ?
C103 C111 H11A 109.5 . . ?
C103 C111 H11B 109.5 . . ?
H11A C111 H11B 109.5 . . ?
C103 C111 H11C 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
C87 C112 C123 113.64(17) . . ?
C87 C112 C165 110.36(17) . . ?
C123 C112 C165 108.70(16) . . ?
C87 C112 H112 108.0 . . ?
C123 C112 H112 108.0 . . ?
C165 C112 H112 108.0 . . ?
C106 C113 C67 121.05(17) . . ?
C106 C113 H113 119.5 . . ?
C67 C113 H113 119.5 . . ?
C90 C114 C132 121.08(17) . . ?
C90 C114 H114 119.5 . . ?
C132 C114 H114 119.5 . . ?
C118 C115 H11D 109.5 . . ?
C118 C115 H11E 109.5 . . ?
H11D C115 H11E 109.5 . . ?
C118 C115 H11F 109.5 . . ?
H11D C115 H11F 109.5 . . ?
H11E C115 H11F 109.5 . . ?
C77 C116 C163 111.42(15) . . ?
C77 C116 C152 111.29(16) . . ?
C163 C116 C152 110.35(17) . . ?
C77 C116 H116 107.9 . . ?
C163 C116 H116 107.9 . . ?
C152 C116 H116 107.9 . . ?
C38 C117 H11G 109.5 . . ?
C38 C117 H11H 109.5 . . ?
H11G C117 H11H 109.5 . . ?
C38 C117 H11I 109.5 . . ?
H11G C117 H11I 109.5 . . ?
H11H C117 H11I 109.5 . . ?
C88 C118 C161 114.26(15) . . ?
C88 C118 C115 112.91(15) . . ?
C161 C118 C115 109.37(16) . . ?
C88 C118 H118 106.6 . . ?
C161 C118 H118 106.6 . . ?
C115 C118 H118 106.6 . . ?
C35 C119 H11J 109.5 . . ?
C35 C119 H11K 109.5 . . ?
H11J C119 H11K 109.5 . . ?
C35 C119 H11L 109.5 . . ?
H11J C119 H11L 109.5 . . ?
H11K C119 H11L 109.5 . . ?
C98 C120 H12A 109.5 . . ?
C98 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C98 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C156 C121 C86 119.00(18) . . ?
C156 C121 C110 118.54(18) . . ?
C86 C121 C110 122.46(17) . . ?
C81 C122 C31 119.10(15) . . ?
C81 C122 H122 120.4 . . ?
C31 C122 H122 120.4 . . ?
C112 C123 H12D 109.5 . . ?
C112 C123 H12E 109.5 . . ?
H12D C123 H12E 109.5 . . ?
C112 C123 H12F 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C26 C124 C143 113.37(17) . . ?
C26 C124 C146 110.38(15) . . ?
C143 C124 C146 109.01(16) . . ?
C26 C124 H124 108.0 . . ?
C143 C124 H124 108.0 . . ?
C146 C124 H124 108.0 . . ?
C136 C126 C96 122.44(17) . . ?
C136 C126 H126 118.8 . . ?
C96 C126 H126 118.8 . . ?
C150 C127 C52 122.26(18) . . ?
C150 C127 H127 118.9 . . ?
C52 C127 H127 118.9 . . ?
C71 C128 H12G 109.5 . . ?
C71 C128 H12H 109.5 . . ?
H12G C128 H12H 109.5 . . ?
C71 C128 H12I 109.5 . . ?
H12G C128 H12I 109.5 . . ?
H12H C128 H12I 109.5 . . ?
C150 C129 C69 122.01(18) . . ?
C150 C129 H129 119.0 . . ?
C69 C129 H129 119.0 . . ?
C73 C130 H13A 109.5 . . ?
C73 C130 H13B 109.5 . . ?
H13A C130 H13B 109.5 . . ?
C73 C130 H13C 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
C91 C131 H13D 109.5 . . ?
C91 C131 H13E 109.5 . . ?
H13D C131 H13E 109.5 . . ?
C91 C131 H13F 109.5 . . ?
H13D C131 H13F 109.5 . . ?
H13E C131 H13F 109.5 . . ?
C114 C132 C29 119.81(17) . . ?
C114 C132 H132 120.1 . . ?
C29 C132 H132 120.1 . . ?
C144 C133 C75 121.42(17) . . ?
C144 C133 H133 119.3 . . ?
C75 C133 H133 119.3 . . ?
C148 C134 C99 122.30(18) . . ?
C148 C134 H134 118.8 . . ?
C99 C134 H134 118.8 . . ?
C49 C135 H13G 109.5 . . ?
C49 C135 H13H 109.5 . . ?
H13G C135 H13H 109.5 . . ?
C49 C135 H13I 109.5 . . ?
H13G C135 H13I 109.5 . . ?
H13H C135 H13I 109.5 . . ?
C126 C136 C50 117.83(17) . . ?
C126 C136 C177 119.94(17) . . ?
C50 C136 C177 122.20(18) . . ?
C79 C137 H13J 109.5 . . ?
C79 C137 H13K 109.5 . . ?
H13J C137 H13K 109.5 . . ?
C79 C137 H13L 109.5 . . ?
H13J C137 H13L 109.5 . . ?
H13K C137 H13L 109.5 . . ?
C35 C138 H13M 109.5 . . ?
C35 C138 H13N 109.5 . . ?
H13M C138 H13N 109.5 . . ?
C35 C138 H13O 109.5 . . ?
H13M C138 H13O 109.5 . . ?
H13N C138 H13O 109.5 . . ?
C61 C139 H13P 109.5 . . ?
C61 C139 H13Q 109.5 . . ?
H13P C139 H13Q 109.5 . . ?
C61 C139 H13R 109.5 . . ?
H13P C139 H13R 109.5 . . ?
H13Q C139 H13R 109.5 . . ?
C71 C140 H14A 109.5 . . ?
C71 C140 H14B 109.5 . . ?
H14A C140 H14B 109.5 . . ?
C71 C140 H14C 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
C102 C141 H14D 109.5 . . ?
C102 C141 H14E 109.5 . . ?
H14D C141 H14E 109.5 . . ?
C102 C141 H14F 109.5 . . ?
H14D C141 H14F 109.5 . . ?
H14E C141 H14F 109.5 . . ?
C63 C142 H14G 109.5 . . ?
C63 C142 H14H 109.5 . . ?
H14G C142 H14H 109.5 . . ?
C63 C142 H14I 109.5 . . ?
H14G C142 H14I 109.5 . . ?
H14H C142 H14I 109.5 . . ?
C124 C143 H14J 109.5 . . ?
C124 C143 H14K 109.5 . . ?
H14J C143 H14K 109.5 . . ?
C124 C143 H14L 109.5 . . ?
H14J C143 H14L 109.5 . . ?
H14K C143 H14L 109.5 . . ?
C133 C144 C83 119.17(17) . . ?
C133 C144 H144 120.4 . . ?
C83 C144 H144 120.4 . . ?
C109 C145 C184 110.6(2) . . ?
C109 C145 C168 114.45(19) . . ?
C184 C145 C168 108.38(19) . . ?
C109 C145 H145 107.7 . . ?
C184 C145 H145 107.7 . . ?
C168 C145 H145 107.7 . . ?
C124 C146 H14M 109.5 . . ?
C124 C146 H14N 109.5 . . ?
H14M C146 H14N 109.5 . . ?
C124 C146 H14O 109.5 . . ?
H14M C146 H14O 109.5 . . ?
H14N C146 H14O 109.5 . . ?
C110 C147 H14P 109.5 . . ?
C110 C147 H14Q 109.5 . . ?
H14P C147 H14Q 109.5 . . ?
C110 C147 H14R 109.5 . . ?
H14P C147 H14R 109.5 . . ?
H14Q C147 H14R 109.5 . . ?
C134 C148 C89 118.22(17) . . ?
C134 C148 C2_2 116.2(3) . . ?
C89 C148 C2_2 125.5(3) . . ?
C134 C148 C2_1 124.8(3) . . ?
C89 C148 C2_1 117.0(4) . . ?
C103 C149 H14S 109.5 . . ?
C103 C149 H14T 109.5 . . ?
H14S C149 H14T 109.5 . . ?
C103 C149 H14U 109.5 . . ?
H14S C149 H14U 109.5 . . ?
H14T C149 H14U 109.5 . . ?
C129 C150 C127 118.25(18) . . ?
C129 C150 C170 120.00(19) . . ?
C127 C150 C170 121.7(2) . . ?
C94 C151 H15A 109.5 . . ?
C94 C151 H15B 109.5 . . ?
H15A C151 H15B 109.5 . . ?
C94 C151 H15C 109.5 . . ?
H15A C151 H15C 109.5 . . ?
H15B C151 H15C 109.5 . . ?
C116 C152 H15D 109.5 . . ?
C116 C152 H15E 109.5 . . ?
H15D C152 H15E 109.5 . . ?
C116 C152 H15F 109.5 . . ?
H15D C152 H15F 109.5 . . ?
H15E C152 H15F 109.5 . . ?
C102 C153 H15G 109.5 . . ?
C102 C153 H15H 109.5 . . ?
H15G C153 H15H 109.5 . . ?
C102 C153 H15I 109.5 . . ?
H15G C153 H15I 109.5 . . ?
H15H C153 H15I 109.5 . . ?
C91 C154 H15P 109.5 . . ?
C91 C154 H15Q 109.5 . . ?
H15P C154 H15Q 109.5 . . ?
C91 C154 H15R 109.5 . . ?
H15P C154 H15R 109.5 . . ?
H15Q C154 H15R 109.5 . . ?
C63 C155 H15J 109.5 . . ?
C63 C155 H15K 109.5 . . ?
H15J C155 H15K 109.5 . . ?
C63 C155 H15L 109.5 . . ?
H15J C155 H15L 109.5 . . ?
H15K C155 H15L 109.5 . . ?
C169 C156 C121 122.2(2) . . ?
C169 C156 H156 118.9 . . ?
C121 C156 H156 118.9 . . ?
C169 C157 C109 121.93(19) . . ?
C169 C157 H157 119.0 . . ?
C109 C157 H157 119.0 . . ?
C79 C158 H15M 109.5 . . ?
C79 C158 H15N 109.5 . . ?
H15M C158 H15N 109.5 . . ?
C79 C158 H15O 109.5 . . ?
H15M C158 H15O 109.5 . . ?
H15N C158 H15O 109.5 . . ?
C160 C159 C87 122.14(19) . . ?
C160 C159 H159 118.9 . . ?
C87 C159 H159 118.9 . . ?
C159 C160 C100 118.62(18) . . ?
C159 C160 C2_6 117.2(2) . . ?
C100 C160 C2_6 124.2(2) . . ?
C159 C160 C2_7 139.9(4) . . ?
C100 C160 C2_7 100.4(4) . . ?
C118 C161 H16A 109.5 . . ?
C118 C161 H16B 109.5 . . ?
H16A C161 H16B 109.5 . . ?
C118 C161 H16C 109.5 . . ?
H16A C161 H16C 109.5 . . ?
H16B C161 H16C 109.5 . . ?
C57 C162 H16D 109.5 . . ?
C57 C162 H16E 109.5 . . ?
H16D C162 H16E 109.5 . . ?
C57 C162 H16F 109.5 . . ?
H16D C162 H16F 109.5 . . ?
H16E C162 H16F 109.5 . . ?
C116 C163 H16G 109.5 . . ?
C116 C163 H16H 109.5 . . ?
H16G C163 H16H 109.5 . . ?
C116 C163 H16I 109.5 . . ?
H16G C163 H16I 109.5 . . ?
H16H C163 H16I 109.5 . . ?
O4 B1 C12 125.81(15) . . ?
O4 B1 Cl2 116.10(13) . . ?
C12 B1 Cl2 118.03(12) . . ?
C7 Ge2 C12 111.67(7) . . ?
C7 Ge2 C37 104.23(7) . . ?
C12 Ge2 C37 113.19(7) . . ?
C7 Ge2 C13 121.16(7) . . ?
C12 Ge2 C13 86.16(7) . . ?
C37 Ge2 C13 119.60(6) . . ?
C112 C165 H16J 109.5 . . ?
C112 C165 H16K 109.5 . . ?
H16J C165 H16K 109.5 . . ?
C112 C165 H16L 109.5 . . ?
H16J C165 H16L 109.5 . . ?
H16K C165 H16L 109.5 . . ?
C94 C166 H16M 109.5 . . ?
C94 C166 H16N 109.5 . . ?
H16M C166 H16N 109.5 . . ?
C94 C166 H16O 109.5 . . ?
H16M C166 H16O 109.5 . . ?
H16N C166 H16O 109.5 . . ?
C98 C167 H16P 109.5 . . ?
C98 C167 H16Q 109.5 . . ?
H16P C167 H16Q 109.5 . . ?
C98 C167 H16R 109.5 . . ?
H16P C167 H16R 109.5 . . ?
H16Q C167 H16R 109.5 . . ?
C145 C168 H16S 109.5 . . ?
C145 C168 H16T 109.5 . . ?
H16S C168 H16T 109.5 . . ?
C145 C168 H16U 109.5 . . ?
H16S C168 H16U 109.5 . . ?
H16T C168 H16U 109.5 . . ?
C156 C169 C157 118.22(19) . . ?
C156 C169 C190 119.6(2) . . ?
C157 C169 C190 122.2(2) . . ?
C191 C170 C182 113.0(2) . . ?
C191 C170 C150 111.7(2) . . ?
C182 C170 C150 111.83(19) . . ?
C191 C170 H170 106.6 . . ?
C182 C170 H170 106.6 . . ?
C150 C170 H170 106.6 . . ?
C49 C171 H17A 109.5 . . ?
C49 C171 H17B 109.5 . . ?
H17A C171 H17B 109.5 . . ?
C49 C171 H17C 109.5 . . ?
H17A C171 H17C 109.5 . . ?
H17B C171 H17C 109.5 . . ?
O3 B2 C31 125.70(16) . . ?
O3 B2 Cl1 116.05(14) . . ?
C31 B2 Cl1 118.20(13) . . ?
C11 Ge3 C23 103.63(7) . . ?
C11 Ge3 C31 113.50(7) . . ?
C23 Ge3 C31 113.00(7) . . ?
C11 Ge3 C40 121.42(7) . . ?
C23 Ge3 C40 118.51(7) . . ?
C31 Ge3 C40 86.41(7) . . ?
C177 C173 H17D 109.5 . . ?
C177 C173 H17E 109.5 . . ?
H17D C173 H17E 109.5 . . ?
C177 C173 H17F 109.5 . . ?
H17D C173 H17F 109.5 . . ?
H17E C173 H17F 109.5 . . ?
C181 C174 C178 113.4(2) . . ?
C181 C174 H17G 108.9 . . ?
C178 C174 H17G 108.9 . . ?
C181 C174 H17H 108.9 . . ?
C178 C174 H17H 108.9 . . ?
H17G C174 H17H 107.7 . . ?
C110 C175 H17I 109.5 . . ?
C110 C175 H17J 109.5 . . ?
H17I C175 H17J 109.5 . . ?
C110 C175 H17K 109.5 . . ?
H17I C175 H17K 109.5 . . ?
H17J C175 H17K 109.5 . . ?
C136 C177 C186 109.5(2) . . ?
C136 C177 C173 113.17(19) . . ?
C186 C177 C173 111.5(2) . . ?
C136 C177 H177 107.5 . . ?
C186 C177 H177 107.5 . . ?
C173 C177 H177 107.5 . . ?
C174 C178 C189 115.3(2) . . ?
C174 C178 H17L 108.4 . . ?
C189 C178 H17L 108.4 . . ?
C174 C178 H17M 108.4 . . ?
C189 C178 H17M 108.4 . . ?
H17L C178 H17M 107.5 . . ?
C174 C181 H18A 109.5 . . ?
C174 C181 H18B 109.5 . . ?
H18A C181 H18B 109.5 . . ?
C174 C181 H18C 109.5 . . ?
H18A C181 H18C 109.5 . . ?
H18B C181 H18C 109.5 . . ?
C170 C182 H18D 109.5 . . ?
C170 C182 H18E 109.5 . . ?
H18D C182 H18E 109.5 . . ?
C170 C182 H18F 109.5 . . ?
H18D C182 H18F 109.5 . . ?
H18E C182 H18F 109.5 . . ?
C145 C184 H18G 109.5 . . ?
C145 C184 H18H 109.5 . . ?
H18G C184 H18H 109.5 . . ?
C145 C184 H18I 109.5 . . ?
H18G C184 H18I 109.5 . . ?
H18H C184 H18I 109.5 . . ?
C177 C186 H18J 109.5 . . ?
C177 C186 H18K 109.5 . . ?
H18J C186 H18K 109.5 . . ?
C177 C186 H18L 109.5 . . ?
H18J C186 H18L 109.5 . . ?
H18K C186 H18L 109.5 . . ?
C189 C188 H18M 109.5 . . ?
C189 C188 H18N 109.5 . . ?
H18M C188 H18N 109.5 . . ?
C189 C188 H18O 109.5 . . ?
H18M C188 H18O 109.5 . . ?
H18N C188 H18O 109.5 . . ?
C178 C189 C188 111.6(3) . . ?
C178 C189 H18P 109.3 . . ?
C188 C189 H18P 109.3 . . ?
C178 C189 H18Q 109.3 . . ?
C188 C189 H18Q 109.3 . . ?
H18P C189 H18Q 108.0 . . ?
C195 C190 C192 115.1(3) . . ?
C195 C190 C169 111.8(3) . . ?
C192 C190 C169 113.6(3) . . ?
C195 C190 H190 105.1 . . ?
C192 C190 H190 105.1 . . ?
C169 C190 H190 105.1 . . ?
C170 C191 H19G 109.5 . . ?
C170 C191 H19H 109.5 . . ?
H19G C191 H19H 109.5 . . ?
C170 C191 H19I 109.5 . . ?
H19G C191 H19I 109.5 . . ?
H19H C191 H19I 109.5 . . ?
C190 C192 H19D 109.5 . . ?
C190 C192 H19E 109.5 . . ?
H19D C192 H19E 109.5 . . ?
C190 C192 H19F 109.5 . . ?
H19D C192 H19F 109.5 . . ?
H19E C192 H19F 109.5 . . ?
C190 C195 H19A 109.5 . . ?
C190 C195 H19B 109.5 . . ?
H19A C195 H19B 109.5 . . ?
C190 C195 H19C 109.5 . . ?
H19A C195 H19C 109.5 . . ?
H19B C195 H19C 109.5 . . ?
C2_1 C1_1 H1A_1 109.5 . . ?
C2_1 C1_1 H1B_1 109.5 . . ?
H1A_1 C1_1 H1B_1 109.5 . . ?
C2_1 C1_1 H1C_1 109.5 . . ?
H1A_1 C1_1 H1C_1 109.5 . . ?
H1B_1 C1_1 H1C_1 109.5 . . ?
C3_1 C2_1 C148 116.4(6) . . ?
C3_1 C2_1 C1_1 117.2(6) . . ?
C148 C2_1 C1_1 105.5(5) . . ?
C3_1 C2_1 H2_1 105.5 . . ?
C148 C2_1 H2_1 105.5 . . ?
C1_1 C2_1 H2_1 105.5 . . ?
C2_1 C3_1 H3A_1 109.5 . . ?
C2_1 C3_1 H3B_1 109.5 . . ?
H3A_1 C3_1 H3B_1 109.5 . . ?
C2_1 C3_1 H3C_1 109.5 . . ?
H3A_1 C3_1 H3C_1 109.5 . . ?
H3B_1 C3_1 H3C_1 109.5 . . ?
C2_2 C1_2 H1A_2 109.5 . . ?
C2_2 C1_2 H1B_2 109.5 . . ?
H1A_2 C1_2 H1B_2 109.5 . . ?
C2_2 C1_2 H1C_2 109.5 . . ?
H1A_2 C1_2 H1C_2 109.5 . . ?
H1B_2 C1_2 H1C_2 109.5 . . ?
C148 C2_2 C1_2 112.0(6) . . ?
C148 C2_2 C3_2 116.0(6) . . ?
C1_2 C2_2 C3_2 118.0(6) . . ?
C148 C2_2 H2_2 102.6 . . ?
C1_2 C2_2 H2_2 102.6 . . ?
C3_2 C2_2 H2_2 102.6 . . ?
C2_2 C3_2 H3A_2 109.5 . . ?
C2_2 C3_2 H3B_2 109.5 . . ?
H3A_2 C3_2 H3B_2 109.5 . . ?
C2_2 C3_2 H3C_2 109.5 . . ?
H3A_2 C3_2 H3C_2 109.5 . . ?
H3B_2 C3_2 H3C_2 109.5 . . ?
C2_3 C1_3 H1A_3 109.5 . . ?
C2_3 C1_3 H1B_3 109.5 . . ?
H1A_3 C1_3 H1B_3 109.5 . . ?
C2_3 C1_3 H1C_3 109.5 . . ?
H1A_3 C1_3 H1C_3 109.5 . . ?
H1B_3 C1_3 H1C_3 109.5 . . ?
C3_3 C2_3 C1_3 114.3(6) . . ?
C3_3 C2_3 H2A_3 108.7 . . ?
C1_3 C2_3 H2A_3 108.7 . . ?
C3_3 C2_3 H2B_3 108.7 . . ?
C1_3 C2_3 H2B_3 108.7 . . ?
H2A_3 C2_3 H2B_3 107.6 . . ?
C2_3 C3_3 C4_3 116.5(5) . . ?
C2_3 C3_3 H3A_3 108.2 . . ?
C4_3 C3_3 H3A_3 108.2 . . ?
C2_3 C3_3 H3B_3 108.2 . . ?
C4_3 C3_3 H3B_3 108.2 . . ?
H3A_3 C3_3 H3B_3 107.3 . . ?
C5_3 C4_3 C3_3 107.4(6) . . ?
C5_3 C4_3 H4A_3 110.2 . . ?
C3_3 C4_3 H4A_3 110.2 . . ?
C5_3 C4_3 H4B_3 110.2 . . ?
C3_3 C4_3 H4B_3 110.2 . . ?
H4A_3 C4_3 H4B_3 108.5 . . ?
C4_3 C5_3 H5A_3 109.5 . . ?
C4_3 C5_3 H5B_3 109.5 . . ?
H5A_3 C5_3 H5B_3 109.5 . . ?
C4_3 C5_3 H5C_3 109.5 . . ?
H5A_3 C5_3 H5C_3 109.5 . . ?
H5B_3 C5_3 H5C_3 109.5 . . ?
C2_4 C1_4 H1A_4 109.5 . . ?
C2_4 C1_4 H1B_4 109.5 . . ?
H1A_4 C1_4 H1B_4 109.5 . . ?
C2_4 C1_4 H1C_4 109.5 . . ?
H1A_4 C1_4 H1C_4 109.5 . . ?
H1B_4 C1_4 H1C_4 109.5 . . ?
C1_4 C2_4 C3_4 115.1(7) . . ?
C1_4 C2_4 H2A_4 108.5 . . ?
C3_4 C2_4 H2A_4 108.5 . . ?
C1_4 C2_4 H2B_4 108.5 . . ?
C3_4 C2_4 H2B_4 108.5 . . ?
H2A_4 C2_4 H2B_4 107.5 . . ?
C4_4 C3_4 C2_4 115.5(5) . . ?
C4_4 C3_4 H3A_4 108.4 . . ?
C2_4 C3_4 H3A_4 108.4 . . ?
C4_4 C3_4 H3B_4 108.4 . . ?
C2_4 C3_4 H3B_4 108.4 . . ?
H3A_4 C3_4 H3B_4 107.5 . . ?
C3_4 C4_4 C5_4 110.9(7) . . ?
C3_4 C4_4 H4A_4 109.5 . . ?
C5_4 C4_4 H4A_4 109.5 . . ?
C3_4 C4_4 H4B_4 109.5 . . ?
C5_4 C4_4 H4B_4 109.5 . . ?
H4A_4 C4_4 H4B_4 108.1 . . ?
C4_4 C5_4 H5A_4 109.5 . . ?
C4_4 C5_4 H5B_4 109.5 . . ?
H5A_4 C5_4 H5B_4 109.5 . . ?
C4_4 C5_4 H5C_4 109.5 . . ?
H5A_4 C5_4 H5C_4 109.5 . . ?
H5B_4 C5_4 H5C_4 109.5 . . ?
C2_5 C1_5 H1A_5 109.5 . . ?
C2_5 C1_5 H1B_5 109.5 . . ?
H1A_5 C1_5 H1B_5 109.5 . . ?
C2_5 C1_5 H1C_5 109.5 . . ?
H1A_5 C1_5 H1C_5 109.5 . . ?
H1B_5 C1_5 H1C_5 109.5 . . ?
C3_5 C2_5 C1_5 110.9(7) . . ?
C3_5 C2_5 C105 117.4(8) . . ?
C1_5 C2_5 C105 110.3(7) . . ?
C3_5 C2_5 H2_5 105.8 . . ?
C1_5 C2_5 H2_5 105.8 . . ?
C105 C2_5 H2_5 105.8 . . ?
C2_5 C3_5 H3A_5 109.5 . . ?
C2_5 C3_5 H3B_5 109.5 . . ?
H3A_5 C3_5 H3B_5 109.5 . . ?
C2_5 C3_5 H3C_5 109.5 . . ?
H3A_5 C3_5 H3C_5 109.5 . . ?
H3B_5 C3_5 H3C_5 109.5 . . ?
C2_6 C1_6 H1A_6 109.5 . . ?
C2_6 C1_6 H1B_6 109.5 . . ?
H1A_6 C1_6 H1B_6 109.5 . . ?
C2_6 C1_6 H1C_6 109.5 . . ?
H1A_6 C1_6 H1C_6 109.5 . . ?
H1B_6 C1_6 H1C_6 109.5 . . ?
C160 C2_6 C3_6 108.2(2) . . ?
C160 C2_6 C1_6 112.4(2) . . ?
C3_6 C2_6 C1_6 108.6(3) . . ?
C160 C2_6 H2_6 109.2 . . ?
C3_6 C2_6 H2_6 109.2 . . ?
C1_6 C2_6 H2_6 109.2 . . ?
C2_6 C3_6 H3A_6 109.5 . . ?
C2_6 C3_6 H3B_6 109.5 . . ?
H3A_6 C3_6 H3B_6 109.5 . . ?
C2_6 C3_6 H3C_6 109.5 . . ?
H3A_6 C3_6 H3C_6 109.5 . . ?
H3B_6 C3_6 H3C_6 109.5 . . ?
C2_7 C1_7 H1A_7 109.5 . . ?
C2_7 C1_7 H1B_7 109.5 . . ?
H1A_7 C1_7 H1B_7 109.5 . . ?
C2_7 C1_7 H1C_7 109.5 . . ?
H1A_7 C1_7 H1C_7 109.5 . . ?
H1B_7 C1_7 H1C_7 109.5 . . ?
C1_7 C2_7 C3_7 107.6(9) . . ?
C1_7 C2_7 C160 106.4(7) . . ?
C3_7 C2_7 C160 97.8(8) . . ?
C1_7 C2_7 H2_7 114.5 . . ?
C3_7 C2_7 H2_7 114.5 . . ?
C160 C2_7 H2_7 114.5 . . ?
C2_7 C3_7 H3A_7 109.5 . . ?
C2_7 C3_7 H3B_7 109.5 . . ?
H3A_7 C3_7 H3B_7 109.5 . . ?
C2_7 C3_7 H3C_7 109.5 . . ?
H3A_7 C3_7 H3C_7 109.5 . . ?
H3B_7 C3_7 H3C_7 109.5 . . ?
C2_8 C1_8 H1A_8 109.5 . . ?
C2_8 C1_8 H1B_8 109.5 . . ?
H1A_8 C1_8 H1B_8 109.5 . . ?
C2_8 C1_8 H1C_8 109.5 . . ?
H1A_8 C1_8 H1C_8 109.5 . . ?
H1B_8 C1_8 H1C_8 109.5 . . ?
C105 C2_8 C3_8 109.8(6) . . ?
C105 C2_8 C1_8 116.0(6) . . ?
C3_8 C2_8 C1_8 109.7(6) . . ?
C105 C2_8 H2_8 106.9 . . ?
C3_8 C2_8 H2_8 106.9 . . ?
C1_8 C2_8 H2_8 106.9 . . ?
C2_8 C3_8 H3A_8 109.5 . . ?
C2_8 C3_8 H3B_8 109.5 . . ?
H3A_8 C3_8 H3B_8 109.5 . . ?
C2_8 C3_8 H3C_8 109.5 . . ?
H3A_8 C3_8 H3C_8 109.5 . . ?
H3B_8 C3_8 H3C_8 109.5 . . ?
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 O4 1.8218(12) . ?
Ge1 C10 1.9575(16) . ?
Ge1 C13 1.9780(16) . ?
Ge1 C9 1.9811(16) . ?
Cl2 B1 1.7986(19) . ?
Cl1 B2 1.799(2) . ?
O4 B1 1.332(2) . ?
O3 B2 1.334(2) . ?
O3 Ge4 1.8191(12) . ?
Ge4 C29 1.9584(17) . ?
Ge4 C40 1.9708(17) . ?
Ge4 C27 1.9741(17) . ?
O2 C28 1.3852(19) . ?
O2 C20 1.3889(19) . ?
O1 C39 1.382(2) . ?
O1 C19 1.384(2) . ?
C7 C28 1.384(2) . ?
C7 C58 1.401(2) . ?
C7 Ge2 1.9609(16) . ?
C8 C32 1.398(2) . ?
C8 C9 1.420(2) . ?
C8 C21 1.502(2) . ?
C9 C41 1.417(2) . ?
C10 C20 1.381(2) . ?
C10 C76 1.399(2) . ?
C11 C39 1.386(2) . ?
C11 C33 1.401(2) . ?
C11 Ge3 1.9673(16) . ?
C12 C107 1.505(2) . ?
C12 B1 1.567(2) . ?
C12 Ge2 1.9994(16) . ?
C12 H12 1.0000 . ?
C13 C80 1.509(2) . ?
C13 Ge2 2.0251(16) . ?
C13 H130 1.0000 . ?
C14 C83 1.396(2) . ?
C14 C27 1.419(2) . ?
C14 C43 1.513(2) . ?
C15 C22 1.412(2) . ?
C15 C25 1.419(2) . ?
C15 C67 1.503(2) . ?
C16 C100 1.399(2) . ?
C16 C45 1.415(2) . ?
C16 C57 1.529(3) . ?
C17 C24 1.404(2) . ?
C17 C37 1.419(2) . ?
C17 C53 1.502(2) . ?
C18 C55 1.392(2) . ?
C18 C28 1.394(2) . ?
C18 C91 1.534(2) . ?
C19 C29 1.382(2) . ?
C19 C47 1.394(2) . ?
C20 C42 1.394(2) . ?
C21 C26 1.411(2) . ?
C21 C62 1.419(2) . ?
C22 C104 1.402(2) . ?
C22 C73 1.523(2) . ?
C23 C36 1.417(2) . ?
C23 C67 1.424(2) . ?
C23 Ge3 1.9938(17) . ?
C24 C108 1.383(2) . ?
C24 H24 0.9500 . ?
C25 C30 1.395(2) . ?
C25 C38 1.529(2) . ?
C26 C65 1.398(2) . ?
C26 C124 1.525(3) . ?
C27 C75 1.418(2) . ?
C29 C132 1.399(2) . ?
C30 C64 1.395(2) . ?
C30 H30 0.9500 . ?
C31 C122 1.508(2) . ?
C31 B2 1.563(3) . ?
C31 Ge3 2.0014(17) . ?
C31 H31 1.0000 . ?
C32 C101 1.388(3) . ?
C32 H32 0.9500 . ?
C33 C85 1.392(2) . ?
C33 H33 0.9500 . ?
C34 C88 1.388(2) . ?
C34 C44 1.402(2) . ?
C34 H34 0.9500 . ?
C35 C62 1.523(2) . ?
C35 C119 1.532(2) . ?
C35 C138 1.537(3) . ?
C35 H35 1.0000 . ?
C36 C70 1.403(2) . ?
C36 C56 1.505(2) . ?
C37 C74 1.414(2) . ?
C37 Ge2 2.0018(16) . ?
C38 C117 1.527(2) . ?
C38 C93 1.537(3) . ?
C38 H38 1.0000 . ?
C39 C48 1.395(2) . ?
C40 C81 1.514(2) . ?
C40 Ge3 2.0222(16) . ?
C40 H40 1.0000 . ?
C41 C66 1.404(2) . ?
C41 C68 1.507(2) . ?
C42 C72 1.397(2) . ?
C42 C91 1.530(2) . ?
C43 C44 1.406(2) . ?
C43 C46 1.420(2) . ?
C44 C61 1.514(2) . ?
C45 C87 1.412(2) . ?
C45 C74 1.499(2) . ?
C46 C60 1.390(2) . ?
C46 C71 1.525(2) . ?
C47 C90 1.393(3) . ?
C47 C79 1.523(3) . ?
C48 C92 1.392(3) . ?
C48 C79 1.535(3) . ?
C49 C69 1.527(3) . ?
C49 C171 1.530(3) . ?
C49 C135 1.537(3) . ?
C49 H49 1.0000 . ?
C50 C136 1.393(3) . ?
C50 C77 1.393(2) . ?
C50 H50 0.9500 . ?
C51 C108 1.384(2) . ?
C51 C74 1.401(2) . ?
C51 H51 0.9500 . ?
C52 C127 1.392(3) . ?
C52 C68 1.408(2) . ?
C52 C63 1.523(3) . ?
C53 C78 1.408(2) . ?
C53 C99 1.414(2) . ?
C54 C55 1.392(2) . ?
C54 C58 1.393(2) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 C77 1.405(2) . ?
C56 C96 1.415(2) . ?
C57 C162 1.526(2) . ?
C57 C95 1.541(2) . ?
C57 H57 1.0000 . ?
C58 H58 0.9500 . ?
C59 C76 1.392(2) . ?
C59 C72 1.397(3) . ?
C59 H59 0.9500 . ?
C60 C88 1.399(2) . ?
C60 H60 0.9500 . ?
C61 C82 1.533(3) . ?
C61 C139 1.536(3) . ?
C61 H61 1.0000 . ?
C62 C97 1.390(2) . ?
C63 C142 1.532(3) . ?
C63 C155 1.537(3) . ?
C63 H63 1.0000 . ?
C64 C104 1.388(2) . ?
C64 C98 1.521(2) . ?
C65 C105 1.387(3) . ?
C65 H65 0.9500 . ?
C66 C101 1.383(2) . ?
C66 H66 0.9500 . ?
C67 C113 1.392(2) . ?
C68 C69 1.413(2) . ?
C69 C129 1.397(3) . ?
C70 C106 1.380(3) . ?
C70 H70 0.9500 . ?
C71 C128 1.532(2) . ?
C71 C140 1.539(3) . ?
C71 H71 1.0000 . ?
C72 H72 0.9500 . ?
C73 C84 1.531(3) . ?
C73 C130 1.541(3) . ?
C73 H73 1.0000 . ?
C75 C133 1.401(3) . ?
C75 C86 1.506(2) . ?
C76 H76 0.9500 . ?
C77 C116 1.526(2) . ?
C78 C89 1.395(3) . ?
C78 C94 1.526(3) . ?
C79 C158 1.531(2) . ?
C79 C137 1.545(3) . ?
C80 C107 1.339(3) . ?
C80 H80 0.9500 . ?
C81 C122 1.335(3) . ?
C81 H81 0.9500 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 C144 1.389(3) . ?
C83 H83 0.9500 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 C92 1.393(3) . ?
C85 H85 0.9500 . ?
C86 C121 1.407(3) . ?
C86 C109 1.410(3) . ?
C87 C159 1.397(3) . ?
C87 C112 1.522(3) . ?
C88 C118 1.525(2) . ?
C89 C148 1.390(3) . ?
C89 H89 0.9500 . ?
C90 C114 1.390(3) . ?
C90 H90 0.9500 . ?
C91 C154 1.532(3) . ?
C91 C131 1.544(3) . ?
C92 H92 0.9500 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 C166 1.531(3) . ?
C94 C151 1.536(3) . ?
C94 H94 1.0000 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 C126 1.395(3) . ?
C96 C103 1.524(2) . ?
C97 C105 1.395(3) . ?
C97 H97 0.9500 . ?
C98 C120 1.528(3) . ?
C98 C167 1.530(3) . ?
C98 H98 1.0000 . ?
C99 C134 1.396(2) . ?
C99 C102 1.524(3) . ?
C100 C160 1.395(3) . ?
C100 H100 0.9500 . ?
C101 H101 0.9500 . ?
C102 C141 1.533(3) . ?
C102 C153 1.537(3) . ?
C102 H102 1.0000 . ?
C103 C149 1.530(3) . ?
C103 C111 1.537(3) . ?
C103 H103 1.0000 . ?
C104 H104 0.9500 . ?
C105 C2_8 1.520(10) . ?
C105 C2_5 1.547(12) . ?
C106 C113 1.388(2) . ?
C106 H106 0.9500 . ?
C107 H107 0.9500 . ?
C108 H108 0.9500 . ?
C109 C157 1.397(3) . ?
C109 C145 1.523(3) . ?
C110 C121 1.519(3) . ?
C110 C147 1.535(3) . ?
C110 C175 1.535(3) . ?
C110 H110 1.0000 . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C112 C123 1.534(3) . ?
C112 C165 1.546(3) . ?
C112 H112 1.0000 . ?
C113 H113 0.9500 . ?
C114 C132 1.391(2) . ?
C114 H114 0.9500 . ?
C115 C118 1.534(3) . ?
C115 H11D 0.9800 . ?
C115 H11E 0.9800 . ?
C115 H11F 0.9800 . ?
C116 C163 1.531(3) . ?
C116 C152 1.534(3) . ?
C116 H116 1.0000 . ?
C117 H11G 0.9800 . ?
C117 H11H 0.9800 . ?
C117 H11I 0.9800 . ?
C118 C161 1.529(3) . ?
C118 H118 1.0000 . ?
C119 H11J 0.9800 . ?
C119 H11K 0.9800 . ?
C119 H11L 0.9800 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 C156 1.392(3) . ?
C122 H122 0.9500 . ?
C123 H12D 0.9800 . ?
C123 H12E 0.9800 . ?
C123 H12F 0.9800 . ?
C124 C143 1.530(3) . ?
C124 C146 1.535(3) . ?
C124 H124 1.0000 . ?
C126 C136 1.388(3) . ?
C126 H126 0.9500 . ?
C127 C150 1.390(3) . ?
C127 H127 0.9500 . ?
C128 H12G 0.9800 . ?
C128 H12H 0.9800 . ?
C128 H12I 0.9800 . ?
C129 C150 1.387(3) . ?
C129 H129 0.9500 . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C131 H13D 0.9800 . ?
C131 H13E 0.9800 . ?
C131 H13F 0.9800 . ?
C132 H132 0.9500 . ?
C133 C144 1.383(3) . ?
C133 H133 0.9500 . ?
C134 C148 1.386(3) . ?
C134 H134 0.9500 . ?
C135 H13G 0.9800 . ?
C135 H13H 0.9800 . ?
C135 H13I 0.9800 . ?
C136 C177 1.523(3) . ?
C137 H13J 0.9800 . ?
C137 H13K 0.9800 . ?
C137 H13L 0.9800 . ?
C138 H13M 0.9800 . ?
C138 H13N 0.9800 . ?
C138 H13O 0.9800 . ?
C139 H13P 0.9800 . ?
C139 H13Q 0.9800 . ?
C139 H13R 0.9800 . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C141 H14D 0.9800 . ?
C141 H14E 0.9800 . ?
C141 H14F 0.9800 . ?
C142 H14G 0.9800 . ?
C142 H14H 0.9800 . ?
C142 H14I 0.9800 . ?
C143 H14J 0.9800 . ?
C143 H14K 0.9800 . ?
C143 H14L 0.9800 . ?
C144 H144 0.9500 . ?
C145 C184 1.525(4) . ?
C145 C168 1.531(3) . ?
C145 H145 1.0000 . ?
C146 H14M 0.9800 . ?
C146 H14N 0.9800 . ?
C146 H14O 0.9800 . ?
C147 H14P 0.9800 . ?
C147 H14Q 0.9800 . ?
C147 H14R 0.9800 . ?
C148 C2_2 1.510(10) . ?
C148 C2_1 1.551(9) . ?
C149 H14S 0.9800 . ?
C149 H14T 0.9800 . ?
C149 H14U 0.9800 . ?
C150 C170 1.523(3) . ?
C151 H15A 0.9800 . ?
C151 H15B 0.9800 . ?
C151 H15C 0.9800 . ?
C152 H15D 0.9800 . ?
C152 H15E 0.9800 . ?
C152 H15F 0.9800 . ?
C153 H15G 0.9800 . ?
C153 H15H 0.9800 . ?
C153 H15I 0.9800 . ?
C154 H15P 0.9800 . ?
C154 H15Q 0.9800 . ?
C154 H15R 0.9800 . ?
C155 H15J 0.9800 . ?
C155 H15K 0.9800 . ?
C155 H15L 0.9800 . ?
C156 C169 1.380(3) . ?
C156 H156 0.9500 . ?
C157 C169 1.392(3) . ?
C157 H157 0.9500 . ?
C158 H15M 0.9800 . ?
C158 H15N 0.9800 . ?
C158 H15O 0.9800 . ?
C159 C160 1.369(3) . ?
C159 H159 0.9500 . ?
C160 C2_6 1.525(3) . ?
C160 C2_7 1.666(10) . ?
C161 H16A 0.9800 . ?
C161 H16B 0.9800 . ?
C161 H16C 0.9800 . ?
C162 H16D 0.9800 . ?
C162 H16E 0.9800 . ?
C162 H16F 0.9800 . ?
C163 H16G 0.9800 . ?
C163 H16H 0.9800 . ?
C163 H16I 0.9800 . ?
C165 H16J 0.9800 . ?
C165 H16K 0.9800 . ?
C165 H16L 0.9800 . ?
C166 H16M 0.9800 . ?
C166 H16N 0.9800 . ?
C166 H16O 0.9800 . ?
C167 H16P 0.9800 . ?
C167 H16Q 0.9800 . ?
C167 H16R 0.9800 . ?
C168 H16S 0.9800 . ?
C168 H16T 0.9800 . ?
C168 H16U 0.9800 . ?
C169 C190 1.527(3) . ?
C170 C191 1.500(4) . ?
C170 C182 1.510(3) . ?
C170 H170 1.0000 . ?
C171 H17A 0.9800 . ?
C171 H17B 0.9800 . ?
C171 H17C 0.9800 . ?
C173 C177 1.526(3) . ?
C173 H17D 0.9800 . ?
C173 H17E 0.9800 . ?
C173 H17F 0.9800 . ?
C174 C181 1.516(3) . ?
C174 C178 1.517(4) . ?
C174 H17G 0.9900 . ?
C174 H17H 0.9900 . ?
C175 H17I 0.9800 . ?
C175 H17J 0.9800 . ?
C175 H17K 0.9800 . ?
C177 C186 1.525(4) . ?
C177 H177 1.0000 . ?
C178 C189 1.522(4) . ?
C178 H17L 0.9900 . ?
C178 H17M 0.9900 . ?
C181 H18A 0.9800 . ?
C181 H18B 0.9800 . ?
C181 H18C 0.9800 . ?
C182 H18D 0.9800 . ?
C182 H18E 0.9800 . ?
C182 H18F 0.9800 . ?
C184 H18G 0.9800 . ?
C184 H18H 0.9800 . ?
C184 H18I 0.9800 . ?
C186 H18J 0.9800 . ?
C186 H18K 0.9800 . ?
C186 H18L 0.9800 . ?
C188 C189 1.535(4) . ?
C188 H18M 0.9800 . ?
C188 H18N 0.9800 . ?
C188 H18O 0.9800 . ?
C189 H18P 0.9900 . ?
C189 H18Q 0.9900 . ?
C190 C195 1.454(5) . ?
C190 C192 1.486(5) . ?
C190 H190 1.0000 . ?
C191 H19G 0.9800 . ?
C191 H19H 0.9800 . ?
C191 H19I 0.9800 . ?
C192 H19D 0.9800 . ?
C192 H19E 0.9800 . ?
C192 H19F 0.9800 . ?
C195 H19A 0.9800 . ?
C195 H19B 0.9800 . ?
C195 H19C 0.9800 . ?
C1_1 C2_1 1.568(8) . ?
C1_1 H1A_1 0.9800 . ?
C1_1 H1B_1 0.9800 . ?
C1_1 H1C_1 0.9800 . ?
C2_1 C3_1 1.522(8) . ?
C2_1 H2_1 1.0000 . ?
C3_1 H3A_1 0.9800 . ?
C3_1 H3B_1 0.9800 . ?
C3_1 H3C_1 0.9800 . ?
C1_2 C2_2 1.520(9) . ?
C1_2 H1A_2 0.9800 . ?
C1_2 H1B_2 0.9800 . ?
C1_2 H1C_2 0.9800 . ?
C2_2 C3_2 1.563(9) . ?
C2_2 H2_2 1.0000 . ?
C3_2 H3A_2 0.9800 . ?
C3_2 H3B_2 0.9800 . ?
C3_2 H3C_2 0.9800 . ?
C1_3 C2_3 1.463(10) . ?
C1_3 H1A_3 0.9800 . ?
C1_3 H1B_3 0.9800 . ?
C1_3 H1C_3 0.9800 . ?
C2_3 C3_3 1.461(6) . ?
C2_3 H2A_3 0.9900 . ?
C2_3 H2B_3 0.9900 . ?
C3_3 C4_3 1.545(7) . ?
C3_3 H3A_3 0.9900 . ?
C3_3 H3B_3 0.9900 . ?
C4_3 C5_3 1.521(8) . ?
C4_3 H4A_3 0.9900 . ?
C4_3 H4B_3 0.9900 . ?
C5_3 H5A_3 0.9800 . ?
C5_3 H5B_3 0.9800 . ?
C5_3 H5C_3 0.9800 . ?
C1_4 C2_4 1.472(11) . ?
C1_4 H1A_4 0.9800 . ?
C1_4 H1B_4 0.9800 . ?
C1_4 H1C_4 0.9800 . ?
C2_4 C3_4 1.592(9) . ?
C2_4 H2A_4 0.9900 . ?
C2_4 H2B_4 0.9900 . ?
C3_4 C4_4 1.466(9) . ?
C3_4 H3A_4 0.9900 . ?
C3_4 H3B_4 0.9900 . ?
C4_4 C5_4 1.533(11) . ?
C4_4 H4A_4 0.9900 . ?
C4_4 H4B_4 0.9900 . ?
C5_4 H5A_4 0.9800 . ?
C5_4 H5B_4 0.9800 . ?
C5_4 H5C_4 0.9800 . ?
C1_5 C2_5 1.522(9) . ?
C1_5 H1A_5 0.9800 . ?
C1_5 H1B_5 0.9800 . ?
C1_5 H1C_5 0.9800 . ?
C2_5 C3_5 1.514(9) . ?
C2_5 H2_5 1.0000 . ?
C3_5 H3A_5 0.9800 . ?
C3_5 H3B_5 0.9800 . ?
C3_5 H3C_5 0.9800 . ?
C1_6 C2_6 1.534(4) . ?
C1_6 H1A_6 0.9800 . ?
C1_6 H1B_6 0.9800 . ?
C1_6 H1C_6 0.9800 . ?
C2_6 C3_6 1.532(4) . ?
C2_6 H2_6 1.0000 . ?
C3_6 H3A_6 0.9800 . ?
C3_6 H3B_6 0.9800 . ?
C3_6 H3C_6 0.9800 . ?
C1_7 C2_7 1.508(11) . ?
C1_7 H1A_7 0.9800 . ?
C1_7 H1B_7 0.9800 . ?
C1_7 H1C_7 0.9800 . ?
C2_7 C3_7 1.543(11) . ?
C2_7 H2_7 1.0000 . ?
C3_7 H3A_7 0.9800 . ?
C3_7 H3B_7 0.9800 . ?
C3_7 H3C_7 0.9800 . ?
C1_8 C2_8 1.531(7) . ?
C1_8 H1A_8 0.9800 . ?
C1_8 H1B_8 0.9800 . ?
C1_8 H1C_8 0.9800 . ?
C2_8 C3_8 1.530(8) . ?
C2_8 H2_8 1.0000 . ?
C3_8 H3A_8 0.9800 . ?
C3_8 H3B_8 0.9800 . ?
C3_8 H3C_8 0.9800 . ?
