#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:34:43 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180045 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/39/7033945.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_7033945
loop_
_publ_author_name
'Gädt, Torben'
'Dimmer, Jörg-Alexander'
'Fleischhauer, Sebastian'
'Frank, Anita'
'Nickl, Claudia'
'Wütz, Tobias'
'Eichele, Klaus'
'Wesemann, Lars'
_publ_section_title
;
 Oxidation of germa- and stanna-closo-dodecaborate.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4726
_journal_page_last               4731
_journal_paper_doi               10.1039/c5dt00099h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C26 H82 B22 Ge2 N2'
_chemical_formula_weight         805.94
_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
_audit_update_record
;
2014-12-17 deposited with the CCDC.
2015-01-30 downloaded from the CCDC.
;
_cell_angle_alpha                112.0340(10)
_cell_angle_beta                 99.0220(10)
_cell_angle_gamma                96.148(2)
_cell_formula_units_Z            3
_cell_length_a                   12.3369(5)
_cell_length_b                   16.3463(8)
_cell_length_c                   19.6863(9)
_cell_measurement_reflns_used    168
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      43.65
_cell_measurement_theta_min      4.615
_cell_volume                     3574.3(3)
_computing_cell_refinement       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX DUO'
_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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0496
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            38543
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.73
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.284
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.827
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.123
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1278
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.5
_refine_diff_density_max         0.355
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         15127
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0356
_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)+(0.0445P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0879
_reflns_number_gt                11736
_reflns_number_total             15127
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00099h2.cif
_cod_data_source_block           solve
_cod_depositor_comments
'Adding full bibliography for 7033945--7033947.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7033945
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
Ge1 Ge 0.406618(18) 0.308782(15) 0.123187(12) 0.02698(7) Uani 1 1 d .
Ge2 Ge 0.564218(18) 0.339125(15) 0.217129(12) 0.02798(7) Uani 1 1 d .
Ge3 Ge 0.429780(17) 0.966077(14) 0.445489(11) 0.02380(6) Uani 1 1 d .
B1 B 0.2440(2) 0.25594(15) 0.12355(13) 0.0279(5) Uani 1 1 d .
H1 H 0.2321 0.2424 0.1739 0.033 Uiso 1 1 calc R
B2 B 0.26914(19) 0.37300(15) 0.12554(13) 0.0252(5) Uani 1 1 d .
H2 H 0.2735 0.4345 0.1773 0.030 Uiso 1 1 calc R
B3 B 0.35333(19) 0.37231(15) 0.05302(12) 0.0250(5) Uani 1 1 d .
H3 H 0.4113 0.4329 0.0581 0.030 Uiso 1 1 calc R
B4 B 0.3801(2) 0.25444(16) 0.00576(13) 0.0289(5) Uani 1 1 d .
H4 H 0.4548 0.2398 -0.0194 0.035 Uiso 1 1 calc R
B5 B 0.3132(2) 0.18288(16) 0.05007(14) 0.0291(5) Uani 1 1 d .
H5 H 0.3458 0.1229 0.0535 0.035 Uiso 1 1 calc R
B6 B 0.7304(2) 0.39128(16) 0.22515(14) 0.0285(5) Uani 1 1 d .
H6 H 0.7484 0.4137 0.1802 0.034 Uiso 1 1 calc R
B7 B 0.6596(2) 0.45727(16) 0.30200(14) 0.0289(5) Uani 1 1 d .
H7 H 0.6326 0.5219 0.3061 0.035 Uiso 1 1 calc R
B8 B 0.5818(2) 0.37439(17) 0.33250(13) 0.0301(6) Uani 1 1 d .
H8 H 0.5052 0.3863 0.3560 0.036 Uiso 1 1 calc R
B9 B 0.6048(2) 0.25789(16) 0.27487(13) 0.0286(5) Uani 1 1 d .
H9 H 0.5429 0.1958 0.2617 0.034 Uiso 1 1 calc R
B10 B 0.43158(19) 0.96586(15) 0.33922(12) 0.0251(5) Uani 1 1 d .
H10 H 0.5084 1.0034 0.3332 0.030 Uiso 1 1 calc R
B11 B 0.31896(19) 0.84277(15) 0.40387(13) 0.0268(5) Uani 1 1 d .
H11 H 0.3240 0.8024 0.4390 0.032 Uiso 1 1 calc R
B12 B 0.14318(19) 0.29634(15) 0.07710(13) 0.0266(5) Uani 1 1 d .
H12 H 0.0651 0.3093 0.0986 0.032 Uiso 1 1 calc R
B13 B 0.20630(19) 0.36450(16) 0.03594(13) 0.0278(5) Uani 1 1 d .
H13 H 0.1698 0.4221 0.0303 0.033 Uiso 1 1 calc R
B14 B 0.2707(2) 0.29513(17) -0.03373(13) 0.0308(6) Uani 1 1 d .
H14 H 0.2764 0.3073 -0.0855 0.037 Uiso 1 1 calc R
B15 B 0.2477(2) 0.18449(16) -0.03574(14) 0.0301(6) Uani 1 1 d .
H15 H 0.2385 0.1235 -0.0887 0.036 Uiso 1 1 calc R
B16 B 0.14228(19) 0.25049(16) -0.02055(13) 0.0282(5) Uani 1 1 d .
H16 H 0.0633 0.2329 -0.0638 0.034 Uiso 1 1 calc R
B17 B 0.16881(19) 0.18537(15) 0.03264(13) 0.0255(5) Uani 1 1 d .
H17 H 0.1076 0.1251 0.0247 0.031 Uiso 1 1 calc R
B18 B 0.7518(2) 0.26151(16) 0.29425(14) 0.0304(6) Uani 1 1 d .
H18 H 0.7843 0.1997 0.2931 0.037 Uiso 1 1 calc R
B19 B 0.8183(2) 0.36993(18) 0.36139(14) 0.0348(6) Uani 1 1 d .
H19 H 0.8944 0.3795 0.4048 0.042 Uiso 1 1 calc R
B20 B 0.8235(2) 0.33887(15) 0.26510(13) 0.0279(5) Uani 1 1 d .
H20 H 0.9027 0.3277 0.2448 0.034 Uiso 1 1 calc R
B21 B 0.8012(2) 0.44858(16) 0.31951(13) 0.0298(6) Uani 1 1 d .
H21 H 0.8660 0.5097 0.3352 0.036 Uiso 1 1 calc R
B22 B 0.7149(2) 0.43865(17) 0.38195(14) 0.0324(6) Uani 1 1 d .
H22 H 0.7228 0.4932 0.4388 0.039 Uiso 1 1 calc R
B23 B 0.6841(2) 0.32263(18) 0.36617(13) 0.0328(6) Uani 1 1 d .
H23 H 0.6719 0.3008 0.4124 0.039 Uiso 1 1 calc R
B24 B 0.69631(19) 0.26883(16) 0.20887(13) 0.0270(5) Uani 1 1 d .
H24 H 0.6920 0.2130 0.1533 0.032 Uiso 1 1 calc R
B25 B 0.42710(19) 0.85358(15) 0.34800(13) 0.0253(5) Uani 1 1 d .
H25 H 0.5013 0.8196 0.3476 0.030 Uiso 1 1 calc R
B26 B 0.32521(19) 1.02419(16) 0.38971(13) 0.0267(5) Uani 1 1 d .
H26 H 0.3342 1.0990 0.4161 0.032 Uiso 1 1 calc R
B27 B 0.2968(2) 0.96333(16) 0.29093(13) 0.0293(5) Uani 1 1 d .
H27 H 0.2879 1.0006 0.2534 0.035 Uiso 1 1 calc R
B28 B 0.1941(2) 0.95315(17) 0.34364(14) 0.0313(6) Uani 1 1 d .
H28 H 0.1176 0.9840 0.3408 0.038 Uiso 1 1 calc R
B29 B 0.1903(2) 0.84772(16) 0.35164(13) 0.0295(5) Uani 1 1 d .
H29 H 0.1112 0.8091 0.3539 0.035 Uiso 1 1 calc R
B30 B 0.2115(2) 0.85719(17) 0.26731(14) 0.0314(6) Uani 1 1 d .
H30 H 0.1463 0.8247 0.2141 0.038 Uiso 1 1 calc R
B31 B 0.29125(19) 0.79261(16) 0.30432(13) 0.0288(5) Uani 1 1 d .
H31 H 0.2787 0.7178 0.2754 0.035 Uiso 1 1 calc R
B32 B 0.3564(2) 0.86402(16) 0.26699(13) 0.0277(5) Uani 1 1 d .
H32 H 0.3868 0.8361 0.2136 0.033 Uiso 1 1 calc R
B33 B 0.25506(19) 0.94799(16) 0.42888(13) 0.0273(5) Uani 1 1 d .
H33 H 0.2192 0.9743 0.4801 0.033 Uiso 1 1 calc R
C1 C 0.15147(17) 0.94630(14) 0.07465(11) 0.0314(5) Uani 1 1 d .
H1A H 0.0748 0.9200 0.0717 0.047 Uiso 1 1 calc R
H1B H 0.1508 0.9988 0.0619 0.047 Uiso 1 1 calc R
H1C H 0.1952 0.9647 0.1257 0.047 Uiso 1 1 calc R
C2 C 0.58138(18) 0.60222(14) 0.16764(12) 0.0379(6) Uani 1 1 d .
H2A H 0.5673 0.6137 0.1214 0.045 Uiso 1 1 calc R
H2B H 0.5906 0.5388 0.1529 0.045 Uiso 1 1 calc R
C12 C 0.47975(19) 0.61511(15) 0.20274(14) 0.0454(6) Uani 1 1 d .
H12A H 0.4137 0.5741 0.1667 0.068 Uiso 1 1 calc R
H12B H 0.4684 0.6772 0.2163 0.068 Uiso 1 1 calc R
H12C H 0.4917 0.6023 0.2479 0.068 Uiso 1 1 calc R
C14 C 0.69041(18) 0.66253(14) 0.21845(12) 0.0328(5) Uani 1 1 d .
H14A H 0.7077 0.6497 0.2639 0.039 Uiso 1 1 calc R
H14B H 0.7522 0.6499 0.1917 0.039 Uiso 1 1 calc R
C15 C 0.68043(16) 0.76027(13) 0.24096(11) 0.0270(5) Uani 1 1 d .
H15A H 0.6204 0.7718 0.2694 0.032 Uiso 1 1 calc R
H15B H 0.6564 0.7701 0.1947 0.032 Uiso 1 1 calc R
C16 C 0.83858(16) 0.81026(14) 0.35322(11) 0.0260(5) Uani 1 1 d .
H16A H 0.9067 0.8562 0.3808 0.031 Uiso 1 1 calc R
H16B H 0.8622 0.7513 0.3333 0.031 Uiso 1 1 calc R
C17 C 0.76579(17) 0.80904(14) 0.40844(11) 0.0282(5) Uani 1 1 d .
H17A H 0.7003 0.7600 0.3828 0.034 Uiso 1 1 calc R
H17B H 0.7384 0.8665 0.4271 0.034 Uiso 1 1 calc R
C18 C 0.83178(18) 0.79518(14) 0.47435(11) 0.0314(5) Uani 1 1 d .
H18A H 0.8981 0.8436 0.4989 0.038 Uiso 1 1 calc R
H18B H 0.7848 0.7998 0.5116 0.038 Uiso 1 1 calc R
C19 C 0.8698(2) 0.70500(15) 0.45122(13) 0.0400(6) Uani 1 1 d .
H19A H 0.9116 0.6998 0.4956 0.060 Uiso 1 1 calc R
H19B H 0.9178 0.7005 0.4152 0.060 Uiso 1 1 calc R
H19C H 0.8045 0.6566 0.4280 0.060 Uiso 1 1 calc R
C20 C 0.86924(17) 0.82860(15) 0.24008(12) 0.0350(5) Uani 1 1 d .
H20A H 0.8365 0.8409 0.1970 0.053 Uiso 1 1 calc R
H20B H 0.8913 0.7696 0.2222 0.053 Uiso 1 1 calc R
H20C H 0.9350 0.8747 0.2700 0.053 Uiso 1 1 calc R
C21 C 0.74762(17) 0.91987(13) 0.31322(11) 0.0277(5) Uani 1 1 d .
H21A H 0.6853 0.9164 0.3387 0.033 Uiso 1 1 calc R
H21B H 0.7179 0.9304 0.2681 0.033 Uiso 1 1 calc R
C22 C 0.83555(16) 1.00070(13) 0.36536(11) 0.0280(5) Uani 1 1 d .
H22A H 0.8972 1.0079 0.3402 0.034 Uiso 1 1 calc R
H22B H 0.8667 0.9923 0.4113 0.034 Uiso 1 1 calc R
C23 C 0.78100(18) 1.08403(14) 0.38583(12) 0.0354(5) Uani 1 1 d .
H23A H 0.7490 1.0911 0.3394 0.042 Uiso 1 1 calc R
H23B H 0.7192 1.0758 0.4105 0.042 Uiso 1 1 calc R
C24 C 0.86345(19) 1.16833(14) 0.43772(13) 0.0444(6) Uani 1 1 d .
H24A H 0.8254 1.2200 0.4494 0.067 Uiso 1 1 calc R
H24B H 0.9241 1.1774 0.4131 0.067 Uiso 1 1 calc R
H24C H 0.8942 1.1621 0.4842 0.067 Uiso 1 1 calc R
C25 C 0.3107(2) 0.57581(17) -0.01331(16) 0.0567(7) Uani 1 1 d .
H25A H 0.3065 0.5304 0.0080 0.085 Uiso 1 1 calc R
H25B H 0.3891 0.6013 -0.0069 0.085 Uiso 1 1 calc R
H25C H 0.2756 0.5479 -0.0669 0.085 Uiso 1 1 calc R
C26 C 0.2503(2) 0.64969(16) 0.02669(14) 0.0472(6) Uani 1 1 d .
H26A H 0.2851 0.6768 0.0809 0.057 Uiso 1 1 calc R
H26B H 0.1716 0.6234 0.0210 0.057 Uiso 1 1 calc R
C27 C 0.25364(18) 0.72234(14) -0.00367(12) 0.0330(5) Uani 1 1 d .
H27A H 0.2143 0.6965 -0.0570 0.040 Uiso 1 1 calc R
H27B H 0.3321 0.7467 -0.0006 0.040 Uiso 1 1 calc R
C28 C 0.19828(17) 0.79715(13) 0.04133(11) 0.0276(5) Uani 1 1 d .
H28A H 0.2341 0.8181 0.0950 0.033 Uiso 1 1 calc R
H28B H 0.1190 0.7721 0.0353 0.033 Uiso 1 1 calc R
C30 C 0.13361(16) 0.84889(13) -0.05882(10) 0.0228(4) Uani 1 1 d .
H30A H 0.1632 0.7990 -0.0930 0.027 Uiso 1 1 calc R
H30B H 0.0561 0.8250 -0.0595 0.027 Uiso 1 1 calc R
C31 C 0.13041(17) 0.92050(14) -0.08975(11) 0.0282(5) Uani 1 1 d .
H31A H 0.2055 0.9390 -0.0967 0.034 Uiso 1 1 calc R
H31B H 0.1086 0.9738 -0.0538 0.034 Uiso 1 1 calc R
C32 C 0.04698(17) 0.88476(14) -0.16460(12) 0.0316(5) Uani 1 1 d .
H32A H 0.0653 0.8283 -0.1986 0.038 Uiso 1 1 calc R
H32B H -0.0287 0.8707 -0.1564 0.038 Uiso 1 1 calc R
C33 C 0.04646(18) 0.95093(15) -0.20214(12) 0.0372(5) Uani 1 1 d .
H33A H -0.0084 0.9248 -0.2499 0.056 Uiso 1 1 calc R
H33B H 0.1208 0.9641 -0.2115 0.056 Uiso 1 1 calc R
H33C H 0.0267 1.0065 -0.1693 0.056 Uiso 1 1 calc R
C34 C 0.59862(17) 1.00082(16) 0.17102(12) 0.0385(6) Uani 1 1 d .
H34A H 0.6709 1.0328 0.1717 0.058 Uiso 1 1 calc R
H34B H 0.6071 0.9419 0.1710 0.058 Uiso 1 1 calc R
H34C H 0.5717 1.0356 0.2156 0.058 Uiso 1 1 calc R
C35 C 0.51520(16) 0.98868(14) 0.10102(11) 0.0296(5) Uani 1 1 d .
H35A H 0.5076 1.0482 0.1007 0.036 Uiso 1 1 calc R
H35B H 0.5430 0.9544 0.0560 0.036 Uiso 1 1 calc R
C36 C 0.40233(16) 0.93943(15) 0.09791(11) 0.0310(5) Uani 1 1 d .
H36A H 0.3712 0.9768 0.1401 0.037 Uiso 1 1 calc R
H36B H 0.4114 0.8829 0.1039 0.037 Uiso 1 1 calc R
C37 C 0.32132(15) 0.91802(13) 0.02457(10) 0.0218(4) Uani 1 1 d .
H37A H 0.3203 0.9739 0.0161 0.026 Uiso 1 1 calc R
H37B H 0.3495 0.8756 -0.0167 0.026 Uiso 1 1 calc R
C38 C 0.5613(2) 0.6550(2) 0.49364(15) 0.0656(9) Uani 1 1 d .
H38A H 0.6335 0.6806 0.4884 0.098 Uiso 1 1 calc R
H38B H 0.5694 0.6031 0.5062 0.098 Uiso 1 1 calc R
H38C H 0.5355 0.7003 0.5336 0.098 Uiso 1 1 calc R
C39 C 0.47714(17) 0.62565(17) 0.42056(13) 0.0406(6) Uani 1 1 d .
H39A H 0.4705 0.6781 0.4076 0.049 Uiso 1 1 calc R
H39B H 0.5044 0.5809 0.3802 0.049 Uiso 1 1 calc R
C40 C 0.36413(17) 0.58557(17) 0.42429(12) 0.0383(6) Uani 1 1 d .
H40A H 0.3369 0.6299 0.4650 0.046 Uiso 1 1 calc R
H40B H 0.3700 0.5323 0.4362 0.046 Uiso 1 1 calc R
C41 C 0.28139(15) 0.55836(14) 0.35061(11) 0.0265(5) Uani 1 1 d .
H41A H 0.2835 0.6103 0.3362 0.032 Uiso 1 1 calc R
H41B H 0.3058 0.5098 0.3114 0.032 Uiso 1 1 calc R
C43 C 0.15144(18) 0.44863(14) 0.37621(11) 0.0323(5) Uani 1 1 d .
H43A H 0.1908 0.4709 0.4294 0.039 Uiso 1 1 calc R
H43B H 0.0716 0.4294 0.3738 0.039 Uiso 1 1 calc R
C44 C 0.19637(19) 0.36760(14) 0.33172(12) 0.0364(5) Uani 1 1 d .
H44A H 0.2777 0.3844 0.3368 0.044 Uiso 1 1 calc R
H44B H 0.1602 0.3457 0.2780 0.044 Uiso 1 1 calc R
C45 C 0.1742(2) 0.29337(16) 0.35955(13) 0.0455(6) Uani 1 1 d .
H45A H 0.2028 0.3180 0.4145 0.055 Uiso 1 1 calc R
H45B H 0.0926 0.2729 0.3496 0.055 Uiso 1 1 calc R
C46 C 0.2282(2) 0.21329(16) 0.32274(14) 0.0549(7) Uani 1 1 d .
H46A H 0.2112 0.1679 0.3427 0.082 Uiso 1 1 calc R
H46B H 0.3092 0.2327 0.3333 0.082 Uiso 1 1 calc R
H46C H 0.1989 0.1876 0.2684 0.082 Uiso 1 1 calc R
C47 C -0.0044(2) 0.59209(19) 0.12765(16) 0.0628(8) Uani 1 1 d .
H47A H -0.0565 0.5628 0.0788 0.094 Uiso 1 1 calc R
H47B H 0.0695 0.6110 0.1204 0.094 Uiso 1 1 calc R
H47C H -0.0312 0.6447 0.1593 0.094 Uiso 1 1 calc R
C48 C 0.0032(2) 0.52700(17) 0.16529(14) 0.0486(7) Uani 1 1 d .
H48A H -0.0723 0.5072 0.1710 0.058 Uiso 1 1 calc R
H48B H 0.0282 0.4734 0.1322 0.058 Uiso 1 1 calc R
C49 C 0.0805(2) 0.56449(15) 0.24037(13) 0.0455(6) Uani 1 1 d .
H49A H 0.0534 0.6159 0.2747 0.055 Uiso 1 1 calc R
H49B H 0.1555 0.5869 0.2355 0.055 Uiso 1 1 calc R
C50 C 0.08909(17) 0.49574(13) 0.27313(11) 0.0275(5) Uani 1 1 d .
H50A H 0.1180 0.4457 0.2386 0.033 Uiso 1 1 calc R
H50B H 0.0128 0.4714 0.2745 0.033 Uiso 1 1 calc R
C51 C 0.11944(18) 0.60147(15) 0.40611(12) 0.0384(6) Uani 1 1 d .
H51A H 0.0421 0.5806 0.4065 0.058 Uiso 1 1 calc R
H51B H 0.1226 0.6523 0.3911 0.058 Uiso 1 1 calc R
H51C H 0.1660 0.6203 0.4564 0.058 Uiso 1 1 calc R
N1 N 0.20287(13) 0.87803(11) 0.02040(9) 0.0219(4) Uani 1 1 d .
N2 N 0.78448(13) 0.82948(11) 0.28773(9) 0.0246(4) Uani 1 1 d .
N3 N 0.16183(13) 0.52641(11) 0.35133(9) 0.0266(4) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_3
B2 Ge1 B3 53.87(9) .
B2 Ge1 B5 93.77(9) .
B3 Ge1 B5 94.09(9) .
B2 Ge1 B4 93.88(9) .
B3 Ge1 B4 53.72(9) .
B5 Ge1 B4 53.79(9) .
B2 Ge1 B1 53.68(9) .
B3 Ge1 B1 94.05(9) .
B5 Ge1 B1 53.44(9) .
B4 Ge1 B1 93.75(9) .
B2 Ge1 Ge2 129.34(6) .
B3 Ge1 Ge2 133.57(6) .
B5 Ge1 Ge2 127.45(7) .
B4 Ge1 Ge2 132.55(7) .
B1 Ge1 Ge2 125.68(7) .
B24 Ge2 B8 94.12(9) .
B24 Ge2 B6 53.88(9) .
B8 Ge2 B6 94.56(10) .
B24 Ge2 B7 94.25(9) .
B8 Ge2 B7 54.18(10) .
B6 Ge2 B7 53.96(9) .
B24 Ge2 B9 53.84(9) .
B8 Ge2 B9 53.77(9) .
B6 Ge2 B9 94.48(9) .
B7 Ge2 B9 94.50(10) .
B24 Ge2 Ge1 126.01(7) .
B8 Ge2 Ge1 131.04(7) .
B6 Ge2 Ge1 130.29(7) .
B7 Ge2 Ge1 133.73(7) .
B9 Ge2 Ge1 126.18(7) .
B26 Ge3 B25 94.12(9) .
B26 Ge3 B10 53.79(9) .
B25 Ge3 B10 54.04(9) .
B26 Ge3 B33 53.79(9) .
B25 Ge3 B33 93.54(9) .
B10 Ge3 B33 93.93(9) .
B26 Ge3 B11 94.31(9) .
B25 Ge3 B11 53.56(9) .
B10 Ge3 B11 94.34(9) .
B33 Ge3 B11 53.66(9) .
B26 Ge3 Ge3 129.87(7) 2_676
B25 Ge3 Ge3 128.63(7) 2_676
B10 Ge3 Ge3 128.09(7) 2_676
B33 Ge3 Ge3 131.64(7) 2_676
B11 Ge3 Ge3 130.26(7) 2_676
B12 B1 B17 60.87(13) .
B12 B1 B5 106.79(16) .
B17 B1 B5 57.90(12) .
B12 B1 B2 57.74(12) .
B17 B1 B2 106.46(16) .
B5 B1 B2 107.82(15) .
B12 B1 Ge1 111.62(14) .
B17 B1 Ge1 111.79(14) .
B5 B1 Ge1 63.12(10) .
B2 B1 Ge1 62.77(10) .
B12 B1 H1 121.8 .
B17 B1 H1 121.8 .
B5 B1 H1 122.5 .
B2 B1 H1 122.8 .
Ge1 B1 H1 116.9 .
B13 B2 B12 60.93(13) .
B13 B2 B1 106.55(15) .
B12 B2 B1 57.38(12) .
B13 B2 B3 58.02(12) .
B12 B2 B3 106.88(16) .
B1 B2 B3 108.28(15) .
B13 B2 Ge1 112.13(14) .
B12 B2 Ge1 111.98(14) .
B1 B2 Ge1 63.55(10) .
B3 B2 Ge1 63.11(10) .
B13 B2 H2 121.7 .
B12 B2 H2 121.9 .
B1 B2 H2 122.6 .
B3 B2 H2 122.4 .
Ge1 B2 H2 116.5 .
B14 B3 B13 60.41(13) .
B14 B3 B2 105.67(16) .
B13 B3 B2 57.30(12) .
B14 B3 B4 57.68(13) .
B13 B3 B4 106.36(16) .
B2 B3 B4 107.88(15) .
B14 B3 Ge1 111.65(14) .
B13 B3 Ge1 111.46(14) .
B2 B3 Ge1 63.02(10) .
B4 B3 Ge1 63.42(10) .
B14 B3 H3 122.3 .
B13 B3 H3 122.2 .
B2 B3 H3 123.0 .
B4 B3 H3 122.4 .
Ge1 B3 H3 116.7 .
B14 B4 B15 60.68(14) .
B14 B4 B3 57.54(13) .
B15 B4 B3 106.36(16) .
B14 B4 B5 106.07(16) .
B15 B4 B5 57.48(13) .
B3 B4 B5 107.82(15) .
B14 B4 Ge1 111.07(14) .
B15 B4 Ge1 111.28(14) .
B3 B4 Ge1 62.86(10) .
B5 B4 Ge1 63.01(10) .
B14 B4 H4 122.3 .
B15 B4 H4 122.1 .
B3 B4 H4 122.7 .
B5 B4 H4 122.8 .
Ge1 B4 H4 117.1 .
B15 B5 B17 60.40(13) .
B15 B5 B1 106.00(16) .
B17 B5 B1 57.46(12) .
B15 B5 B4 57.59(13) .
B17 B5 B4 106.28(16) .
B1 B5 B4 108.20(15) .
B15 B5 Ge1 111.52(14) .
B17 B5 Ge1 111.71(14) .
B1 B5 Ge1 63.44(10) .
B4 B5 Ge1 63.20(10) .
B15 B5 H5 122.4 .
B17 B5 H5 122.2 .
B1 B5 H5 122.6 .
B4 B5 H5 122.5 .
Ge1 B5 H5 116.6 .
B21 B6 B20 60.99(13) .
B21 B6 B24 106.28(17) .
B20 B6 B24 57.65(13) .
B21 B6 B7 57.27(12) .
B20 B6 B7 106.44(16) .
B24 B6 B7 107.71(15) .
B21 B6 Ge2 111.13(14) .
B20 B6 Ge2 111.47(14) .
B24 B6 Ge2 62.85(10) .
B7 B6 Ge2 63.03(10) .
B21 B6 H6 122.2 .
B20 B6 H6 121.8 .
B24 B6 H6 122.8 .
B7 B6 H6 122.8 .
Ge2 B6 H6 117.1 .
B21 B7 B22 61.03(14) .
B21 B7 B6 57.41(13) .
B22 B7 B6 106.30(16) .
B21 B7 B8 106.38(17) .
B22 B7 B8 57.34(13) .
B6 B7 B8 107.80(16) .
B21 B7 Ge2 111.22(14) .
B22 B7 Ge2 111.03(15) .
B6 B7 Ge2 63.01(10) .
B8 B7 Ge2 62.87(10) .
B21 B7 H7 122.0 .
B22 B7 H7 122.2 .
B6 B7 H7 122.7 .
B8 B7 H7 122.8 .
Ge2 B7 H7 117.2 .
B22 B8 B23 60.86(14) .
B22 B8 B9 106.40(16) .
B23 B8 B9 57.37(13) .
B22 B8 B7 57.22(14) .
B23 B8 B7 106.12(17) .
B9 B8 B7 108.17(15) .
B22 B8 Ge2 111.01(15) .
B23 B8 Ge2 111.19(14) .
B9 B8 Ge2 63.30(10) .
B7 B8 Ge2 62.96(10) .
B22 B8 H8 122.3 .
B23 B8 H8 122.2 .
B9 B8 H8 122.4 .
B7 B8 H8 122.8 .
Ge2 B8 H8 117.1 .
B23 B9 B18 60.47(14) .
B23 B9 B24 105.86(16) .
B18 B9 B24 57.27(13) .
B23 B9 B8 57.77(13) .
B18 B9 B8 106.16(17) .
B24 B9 B8 107.61(16) .
B23 B9 Ge2 111.21(15) .
B18 B9 Ge2 110.80(14) .
B24 B9 Ge2 62.72(10) .
B8 B9 Ge2 62.93(10) .
B23 B9 H9 122.2 .
B18 B9 H9 122.4 .
B24 B9 H9 123.0 .
B8 B9 H9 122.6 .
Ge2 B9 H9 117.3 .
B27 B10 B32 60.59(13) .
B27 B10 B26 57.90(12) .
B32 B10 B26 106.31(16) .
B27 B10 B25 106.19(16) .
B32 B10 B25 57.48(12) .
B26 B10 B25 107.63(15) .
B27 B10 Ge3 111.80(14) .
B32 B10 Ge3 111.45(14) .
B26 B10 Ge3 63.02(10) .
B25 B10 Ge3 62.97(10) .
B27 B10 H10 121.9 .
B32 B10 H10 122.2 .
B26 B10 H10 122.7 .
B25 B10 H10 122.9 .
Ge3 B10 H10 116.8 .
B31 B11 B29 60.49(13) .
B31 B11 B25 57.17(12) .
B29 B11 B25 105.72(16) .
B31 B11 B33 105.71(16) .
B29 B11 B33 57.20(12) .
B25 B11 B33 107.56(15) .
B31 B11 Ge3 110.93(14) .
B29 B11 Ge3 111.03(14) .
B25 B11 Ge3 62.98(10) .
B33 B11 Ge3 63.09(10) .
B31 B11 H11 122.5 .
B29 B11 H11 122.5 .
B25 B11 H11 123.0 .
B33 B11 H11 122.9 .
Ge3 B11 H11 117.1 .
B1 B12 B2 64.88(13) .
B1 B12 B16 109.03(16) .
B2 B12 B16 108.98(16) .
B1 B12 B17 59.60(13) .
B2 B12 B17 111.07(16) .
B16 B12 B17 59.67(13) .
B1 B12 B13 111.24(16) .
B2 B12 B13 59.38(13) .
B16 B12 B13 60.08(13) .
B17 B12 B13 108.12(16) .
B1 B12 H12 119.1 .
B2 B12 H12 119.3 .
B16 B12 H12 122.0 .
B17 B12 H12 121.7 .
B13 B12 H12 121.5 .
B2 B13 B3 64.68(13) .
B2 B13 B14 110.75(17) .
B3 B13 B14 59.50(13) .
B2 B13 B16 108.97(16) .
B3 B13 B16 108.89(16) .
B14 B13 B16 59.55(13) .
B2 B13 B12 59.69(13) .
B3 B13 B12 111.13(16) .
B14 B13 B12 107.64(16) .
B16 B13 B12 59.76(13) .
B2 B13 H13 119.3 .
B3 B13 H13 119.2 .
B14 B13 H13 122.0 .
B16 B13 H13 122.1 .
B12 B13 H13 121.7 .
B3 B14 B4 64.79(14) .
B3 B14 B16 110.06(17) .
B4 B14 B16 109.48(17) .
B3 B14 B13 60.09(13) .
B4 B14 B13 111.71(17) .
B16 B14 B13 60.39(13) .
B3 B14 B15 111.30(17) .
B4 B14 B15 59.69(14) .
B16 B14 B15 59.63(13) .
B13 B14 B15 108.26(17) .
B3 B14 H14 118.8 .
B4 B14 H14 119.0 .
B16 B14 H14 121.5 .
B13 B14 H14 121.1 .
B15 B14 H14 121.8 .
B5 B15 B4 64.93(14) .
B5 B15 B16 109.55(17) .
B4 B15 B16 109.54(17) .
B5 B15 B17 59.87(13) .
B4 B15 B17 111.65(17) .
B16 B15 B17 59.97(13) .
B5 B15 B14 111.07(17) .
B4 B15 B14 59.62(14) .
B16 B15 B14 59.78(13) .
B17 B15 B14 107.93(16) .
B5 B15 H15 119.0 .
B4 B15 H15 118.8 .
B16 B15 H15 121.7 .
B17 B15 H15 121.4 .
B14 B15 H15 121.9 .
B15 B16 B14 60.59(14) .
B15 B16 B17 60.28(13) .
B14 B16 B17 108.82(17) .
B15 B16 B12 108.56(17) .
B14 B16 B12 108.37(16) .
B17 B16 B12 60.22(13) .
B15 B16 B13 108.76(16) .
B14 B16 B13 60.06(13) .
B17 B16 B13 108.64(16) .
B12 B16 B13 60.17(13) .
B15 B16 H16 121.2 .
B14 B16 H16 121.3 .
B17 B16 H16 121.3 .
B12 B16 H16 121.5 .
B13 B16 H16 121.4 .
B1 B17 B5 64.64(13) .
B1 B17 B16 109.34(16) .
B5 B17 B16 109.25(16) .
B1 B17 B15 111.13(16) .
B5 B17 B15 59.73(13) .
B16 B17 B15 59.75(14) .
B1 B17 B12 59.54(13) .
B5 B17 B12 111.05(16) .
B16 B17 B12 60.11(13) .
B15 B17 B12 108.05(16) .
B1 B17 H17 119.2 .
B5 B17 H17 119.2 .
B16 B17 H17 121.7 .
B15 B17 H17 121.6 .
B12 B17 H17 121.6 .
B24 B18 B19 109.29(18) .
B24 B18 B20 59.71(13) .
B19 B18 B20 60.16(14) .
B24 B18 B9 64.51(14) .
B19 B18 B9 109.15(17) .
B20 B18 B9 111.24(17) .
B24 B18 B23 110.54(17) .
B19 B18 B23 60.06(14) .
B20 B18 B23 108.27(17) .
B9 B18 B23 59.18(13) .
B24 B18 H18 119.4 .
B19 B18 H18 121.6 .
B20 B18 H18 121.3 .
B9 B18 H18 119.4 .
B23 B18 H18 121.8 .
B18 B19 B21 108.49(17) .
B18 B19 B23 60.26(14) .
B21 B19 B23 108.50(17) .
B18 B19 B22 108.61(18) .
B21 B19 B22 60.17(14) .
B23 B19 B22 60.28(14) .
B18 B19 B20 60.10(13) .
B21 B19 B20 60.19(14) .
B23 B19 B20 108.39(17) .
B22 B19 B20 108.42(17) .
B18 B19 H19 121.4 .
B21 B19 H19 121.4 .
B23 B19 H19 121.4 .
B22 B19 H19 121.4 .
B20 B19 H19 121.5 .
B6 B20 B24 64.90(14) .
B6 B20 B18 111.62(17) .
B24 B20 B18 59.67(13) .
B6 B20 B19 109.33(17) .
B24 B20 B19 108.92(17) .
B18 B20 B19 59.74(14) .
B6 B20 B21 59.48(13) .
B24 B20 B21 110.76(17) .
B18 B20 B21 107.95(17) .
B19 B20 B21 59.88(14) .
B6 B20 H20 118.9 .
B24 B20 H20 119.3 .
B18 B20 H20 121.5 .
B19 B20 H20 122.0 .
B21 B20 H20 121.9 .
B7 B21 B6 65.33(14) .
B7 B21 B19 109.60(18) .
B6 B21 B19 109.40(17) .
B7 B21 B22 59.58(13) .
B6 B21 B22 111.38(17) .
B19 B21 B22 59.93(14) .
B7 B21 B20 111.64(17) .
B6 B21 B20 59.53(13) .
B19 B21 B20 59.93(14) .
B22 B21 B20 108.02(18) .
B7 B21 H21 118.7 .
B6 B21 H21 118.9 .
B19 B21 H21 121.7 .
B22 B21 H21 121.7 .
B20 B21 H21 121.6 .
B7 B22 B8 65.44(14) .
B7 B22 B19 109.42(17) .
B8 B22 B19 109.58(18) .
B7 B22 B21 59.39(14) .
B8 B22 B21 111.46(17) .
B19 B22 B21 59.90(14) .
B7 B22 B23 111.70(17) .
B8 B22 B23 59.75(14) .
B19 B22 B23 59.85(14) .
B21 B22 B23 107.94(17) .
B7 B22 H22 118.8 .
B8 B22 H22 118.7 .
B19 B22 H22 121.8 .
B21 B22 H22 121.8 .
B23 B22 H22 121.6 .
B9 B23 B8 64.86(14) .
B9 B23 B19 109.80(17) .
B8 B23 B19 109.30(18) .
B9 B23 B18 60.35(13) .
B8 B23 B18 111.61(17) .
B19 B23 B18 59.68(14) .
B9 B23 B22 111.17(17) .
B8 B23 B22 59.39(14) .
B19 B23 B22 59.87(14) .
B18 B23 B22 107.81(17) .
B9 B23 H23 118.7 .
B8 B23 H23 119.1 .
B19 B23 H23 121.8 .
B18 B23 H23 121.4 .
B22 B23 H23 121.9 .
B18 B24 B20 60.62(14) .
B18 B24 B6 106.47(16) .
B20 B24 B6 57.45(13) .
B18 B24 B9 58.22(13) .
B20 B24 B9 106.99(16) .
B6 B24 B9 108.71(15) .
B18 B24 Ge2 112.19(14) .
B20 B24 Ge2 111.66(14) .
B6 B24 Ge2 63.27(10) .
B9 B24 Ge2 63.44(10) .
B18 B24 H24 121.8 .
B20 B24 H24 122.1 .
B6 B24 H24 122.5 .
B9 B24 H24 121.9 .
Ge2 B24 H24 116.6 .
B31 B25 B32 60.69(13) .
B31 B25 B11 58.12(13) .
B32 B25 B11 106.88(16) .
B31 B25 B10 106.48(16) .
B32 B25 B10 57.49(12) .
B11 B25 B10 108.46(15) .
B31 B25 Ge3 112.11(14) .
B32 B25 Ge3 111.47(14) .
B11 B25 Ge3 63.46(10) .
B10 B25 Ge3 62.99(9) .
B31 B25 H25 121.8 .
B32 B25 H25 122.1 .
B11 B25 H25 122.0 .
B10 B25 H25 122.7 .
Ge3 B25 H25 116.7 .
B28 B26 B27 60.66(14) .
B28 B26 B10 106.26(16) .
B27 B26 B10 57.54(12) .
B28 B26 B33 57.40(13) .
B27 B26 B33 106.19(16) .
B10 B26 B33 108.01(15) .
B28 B26 Ge3 111.65(14) .
B27 B26 Ge3 111.64(14) .
B10 B26 Ge3 63.19(10) .
B33 B26 Ge3 63.34(10) .
B28 B26 H26 122.2 .
B27 B26 H26 122.1 .
B10 B26 H26 122.7 .
B33 B26 H26 122.7 .
Ge3 B26 H26 116.6 .
B10 B27 B26 64.57(13) .
B10 B27 B30 109.34(17) .
B26 B27 B30 109.08(17) .
B10 B27 B32 59.74(13) .
B26 B27 B32 110.87(16) .
B30 B27 B32 59.81(13) .
B10 B27 B28 110.90(17) .
B26 B27 B28 59.52(13) .
B30 B27 B28 59.73(14) .
B32 B27 B28 107.62(17) .
B10 B27 H27 119.1 .
B26 B27 H27 119.3 .
B30 B27 H27 121.8 .
B32 B27 H27 121.8 .
B28 B27 H27 121.9 .
B33 B28 B26 64.88(14) .
B33 B28 B30 109.32(18) .
B26 B28 B30 109.51(17) .
B33 B28 B29 59.54(13) .
B26 B28 B29 111.26(17) .
B30 B28 B29 59.91(14) .
B33 B28 B27 111.41(17) .
B26 B28 B27 59.83(13) .
B30 B28 B27 59.95(14) .
B29 B28 B27 108.13(17) .
B33 B28 H28 119.1 .
B26 B28 H28 118.9 .
B30 B28 H28 121.7 .
B29 B28 H28 121.7 .
B27 B28 H28 121.5 .
B33 B29 B11 64.80(13) .
B33 B29 B30 109.41(17) .
B11 B29 B30 109.70(16) .
B33 B29 B28 59.65(13) .
B11 B29 B28 111.38(17) .
B30 B29 B28 59.92(14) .
B33 B29 B31 111.05(17) .
B11 B29 B31 59.70(13) .
B30 B29 B31 60.00(13) .
B28 B29 B31 107.97(17) .
B33 B29 H29 119.2 .
B11 B29 H29 118.9 .
B30 B29 H29 121.6 .
B28 B29 H29 121.6 .
B31 B29 H29 121.7 .
B32 B30 B29 108.37(17) .
B32 B30 B28 108.34(17) .
B29 B30 B28 60.17(14) .
B32 B30 B27 60.13(13) .
B29 B30 B27 108.63(17) .
B28 B30 B27 60.32(14) .
B32 B30 B31 59.99(13) .
B29 B30 B31 60.28(14) .
B28 B30 B31 108.39(17) .
B27 B30 B31 108.37(17) .
B32 B30 H30 121.6 .
B29 B30 H30 121.4 .
B28 B30 H30 121.5 .
B27 B30 H30 121.4 .
B31 B30 H30 121.5 .
B25 B31 B11 64.71(13) .
B25 B31 B32 60.00(13) .
B11 B31 B32 111.52(17) .
B25 B31 B30 109.57(17) .
B11 B31 B30 109.56(17) .
B32 B31 B30 59.85(14) .
B25 B31 B29 111.10(16) .
B11 B31 B29 59.81(13) .
B32 B31 B29 107.81(17) .
B30 B31 B29 59.72(13) .
B25 B31 H31 119.0 .
B11 B31 H31 118.9 .
B32 B31 H31 121.5 .
B30 B31 H31 121.7 .
B29 B31 H31 121.8 .
B25 B32 B10 65.03(13) .
B25 B32 B30 109.26(17) .
B10 B32 B30 109.50(16) .
B25 B32 B31 59.31(13) .
B10 B32 B31 111.35(16) .
B30 B32 B31 60.16(14) .
B25 B32 B27 111.41(16) .
B10 B32 B27 59.67(13) .
B30 B32 B27 60.07(13) .
B31 B32 B27 108.46(17) .
B25 B32 H32 119.2 .
B10 B32 H32 118.9 .
B30 B32 H32 121.7 .
B31 B32 H32 121.5 .
B27 B32 H32 121.4 .
B29 B33 B28 60.81(14) .
B29 B33 B26 106.62(16) .
B28 B33 B26 57.72(13) .
B29 B33 B11 58.00(13) .
B28 B33 B11 106.93(16) .
B26 B33 B11 108.34(15) .
B29 B33 Ge3 111.82(14) .
B28 B33 Ge3 111.51(15) .
B26 B33 Ge3 62.87(10) .
B11 B33 Ge3 63.25(10) .
B29 B33 H33 121.8 .
B28 B33 H33 121.9 .
B26 B33 H33 122.6 .
B11 B33 H33 122.2 .
Ge3 B33 H33 116.9 .
N1 C1 H1A 109.5 .
N1 C1 H1B 109.5 .
H1A C1 H1B 109.5 .
N1 C1 H1C 109.5 .
H1A C1 H1C 109.5 .
H1B C1 H1C 109.5 .
C12 C2 C14 114.65(18) .
C12 C2 H2A 108.6 .
C14 C2 H2A 108.6 .
C12 C2 H2B 108.6 .
C14 C2 H2B 108.6 .
H2A C2 H2B 107.6 .
C2 C12 H12A 109.5 .
C2 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C2 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C15 C14 C2 110.18(17) .
C15 C14 H14A 109.6 .
C2 C14 H14A 109.6 .
C15 C14 H14B 109.6 .
C2 C14 H14B 109.6 .
H14A C14 H14B 108.1 .
C14 C15 N2 116.90(16) .
C14 C15 H15A 108.1 .
N2 C15 H15A 108.1 .
C14 C15 H15B 108.1 .
N2 C15 H15B 108.1 .
H15A C15 H15B 107.3 .
N2 C16 C17 115.40(16) .
N2 C16 H16A 108.4 .
C17 C16 H16A 108.4 .
N2 C16 H16B 108.4 .
C17 C16 H16B 108.4 .
H16A C16 H16B 107.5 .
C16 C17 C18 110.46(16) .
C16 C17 H17A 109.6 .
C18 C17 H17A 109.6 .
C16 C17 H17B 109.6 .
C18 C17 H17B 109.6 .
H17A C17 H17B 108.1 .
C19 C18 C17 113.01(17) .
C19 C18 H18A 109.0 .
C17 C18 H18A 109.0 .
C19 C18 H18B 109.0 .
C17 C18 H18B 109.0 .
H18A C18 H18B 107.8 .
C18 C19 H19A 109.5 .
C18 C19 H19B 109.5 .
H19A C19 H19B 109.5 .
C18 C19 H19C 109.5 .
H19A C19 H19C 109.5 .
H19B C19 H19C 109.5 .
N2 C20 H20A 109.5 .
N2 C20 H20B 109.5 .
H20A C20 H20B 109.5 .
N2 C20 H20C 109.5 .
H20A C20 H20C 109.5 .
H20B C20 H20C 109.5 .
N2 C21 C22 116.78(16) .
N2 C21 H21A 108.1 .
C22 C21 H21A 108.1 .
N2 C21 H21B 108.1 .
C22 C21 H21B 108.1 .
H21A C21 H21B 107.3 .
C21 C22 C23 108.48(16) .
C21 C22 H22A 110.0 .
C23 C22 H22A 110.0 .
C21 C22 H22B 110.0 .
C23 C22 H22B 110.0 .
H22A C22 H22B 108.4 .
C24 C23 C22 112.00(18) .
C24 C23 H23A 109.2 .
C22 C23 H23A 109.2 .
C24 C23 H23B 109.2 .
C22 C23 H23B 109.2 .
H23A C23 H23B 107.9 .
C23 C24 H24A 109.5 .
C23 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C23 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C26 C25 H25A 109.5 .
C26 C25 H25B 109.5 .
H25A C25 H25B 109.5 .
C26 C25 H25C 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
C25 C26 C27 112.2(2) .
C25 C26 H26A 109.2 .
C27 C26 H26A 109.2 .
C25 C26 H26B 109.2 .
C27 C26 H26B 109.2 .
H26A C26 H26B 107.9 .
C26 C27 C28 109.98(18) .
C26 C27 H27A 109.7 .
C28 C27 H27A 109.7 .
C26 C27 H27B 109.7 .
C28 C27 H27B 109.7 .
H27A C27 H27B 108.2 .
C27 C28 N1 115.63(16) .
C27 C28 H28A 108.4 .
N1 C28 H28A 108.4 .
C27 C28 H28B 108.4 .
N1 C28 H28B 108.4 .
H28A C28 H28B 107.4 .
C31 C30 N1 116.17(16) .
C31 C30 H30A 108.2 .
N1 C30 H30A 108.2 .
C31 C30 H30B 108.2 .
N1 C30 H30B 108.2 .
H30A C30 H30B 107.4 .
C30 C31 C32 110.00(17) .
C30 C31 H31A 109.7 .
C32 C31 H31A 109.7 .
C30 C31 H31B 109.7 .
C32 C31 H31B 109.7 .
H31A C31 H31B 108.2 .
C33 C32 C31 112.77(18) .
C33 C32 H32A 109.0 .
C31 C32 H32A 109.0 .
C33 C32 H32B 109.0 .
C31 C32 H32B 109.0 .
H32A C32 H32B 107.8 .
C32 C33 H33A 109.5 .
C32 C33 H33B 109.5 .
H33A C33 H33B 109.5 .
C32 C33 H33C 109.5 .
H33A C33 H33C 109.5 .
H33B C33 H33C 109.5 .
C35 C34 H34A 109.5 .
C35 C34 H34B 109.5 .
H34A C34 H34B 109.5 .
C35 C34 H34C 109.5 .
H34A C34 H34C 109.5 .
H34B C34 H34C 109.5 .
C36 C35 C34 111.12(17) .
C36 C35 H35A 109.4 .
C34 C35 H35A 109.4 .
C36 C35 H35B 109.4 .
C34 C35 H35B 109.4 .
H35A C35 H35B 108.0 .
C35 C36 C37 111.87(17) .
C35 C36 H36A 109.2 .
C37 C36 H36A 109.2 .
C35 C36 H36B 109.2 .
C37 C36 H36B 109.2 .
H36A C36 H36B 107.9 .
N1 C37 C36 115.15(15) .
N1 C37 H37A 108.5 .
C36 C37 H37A 108.5 .
N1 C37 H37B 108.5 .
C36 C37 H37B 108.5 .
H37A C37 H37B 107.5 .
C39 C38 H38A 109.5 .
C39 C38 H38B 109.5 .
H38A C38 H38B 109.5 .
C39 C38 H38C 109.5 .
H38A C38 H38C 109.5 .
H38B C38 H38C 109.5 .
C40 C39 C38 112.5(2) .
C40 C39 H39A 109.1 .
C38 C39 H39A 109.1 .
C40 C39 H39B 109.1 .
C38 C39 H39B 109.1 .
H39A C39 H39B 107.8 .
C39 C40 C41 111.14(18) .
C39 C40 H40A 109.4 .
C41 C40 H40A 109.4 .
C39 C40 H40B 109.4 .
C41 C40 H40B 109.4 .
H40A C40 H40B 108.0 .
N3 C41 C40 115.11(16) .
N3 C41 H41A 108.5 .
C40 C41 H41A 108.5 .
N3 C41 H41B 108.5 .
C40 C41 H41B 108.5 .
H41A C41 H41B 107.5 .
C44 C43 N3 116.00(16) .
C44 C43 H43A 108.3 .
N3 C43 H43A 108.3 .
C44 C43 H43B 108.3 .
N3 C43 H43B 108.3 .
H43A C43 H43B 107.4 .
C43 C44 C45 110.33(19) .
C43 C44 H44A 109.6 .
C45 C44 H44A 109.6 .
C43 C44 H44B 109.6 .
C45 C44 H44B 109.6 .
H44A C44 H44B 108.1 .
C46 C45 C44 113.1(2) .
C46 C45 H45A 109.0 .
C44 C45 H45A 109.0 .
C46 C45 H45B 109.0 .
C44 C45 H45B 109.0 .
H45A C45 H45B 107.8 .
C45 C46 H46A 109.5 .
C45 C46 H46B 109.5 .
H46A C46 H46B 109.5 .
C45 C46 H46C 109.5 .
H46A C46 H46C 109.5 .
H46B C46 H46C 109.5 .
C48 C47 H47A 109.5 .
C48 C47 H47B 109.5 .
H47A C47 H47B 109.5 .
C48 C47 H47C 109.5 .
H47A C47 H47C 109.5 .
H47B C47 H47C 109.5 .
C49 C48 C47 114.2(2) .
C49 C48 H48A 108.7 .
C47 C48 H48A 108.7 .
C49 C48 H48B 108.7 .
C47 C48 H48B 108.7 .
H48A C48 H48B 107.6 .
C48 C49 C50 111.77(19) .
C48 C49 H49A 109.3 .
C50 C49 H49A 109.3 .
C48 C49 H49B 109.3 .
C50 C49 H49B 109.3 .
H49A C49 H49B 107.9 .
C49 C50 N3 117.12(17) .
C49 C50 H50A 108.0 .
N3 C50 H50A 108.0 .
C49 C50 H50B 108.0 .
N3 C50 H50B 108.0 .
H50A C50 H50B 107.3 .
N3 C51 H51A 109.5 .
N3 C51 H51B 109.5 .
H51A C51 H51B 109.5 .
N3 C51 H51C 109.5 .
H51A C51 H51C 109.5 .
H51B C51 H51C 109.5 .
C1 N1 C37 109.88(15) .
C1 N1 C28 107.14(15) .
C37 N1 C28 111.82(14) .
C1 N1 C30 109.20(14) .
C37 N1 C30 109.98(14) .
C28 N1 C30 108.75(15) .
C20 N2 C16 107.55(15) .
C20 N2 C21 109.41(16) .
C16 N2 C21 111.97(14) .
C20 N2 C15 109.85(15) .
C16 N2 C15 111.87(15) .
C21 N2 C15 106.19(14) .
C51 N3 C41 109.63(15) .
C51 N3 C50 109.89(15) .
C41 N3 C50 109.79(15) .
C51 N3 C43 106.94(16) .
C41 N3 C43 112.08(16) .
C50 N3 C43 108.46(15) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 B2 2.086(2) .
Ge1 B3 2.087(2) .
Ge1 B5 2.094(2) .
Ge1 B4 2.098(2) .
Ge1 B1 2.100(2) .
Ge1 Ge2 2.3289(3) .
Ge2 B24 2.085(2) .
Ge2 B8 2.092(2) .
Ge2 B6 2.093(2) .
Ge2 B7 2.093(2) .
Ge2 B9 2.098(2) .
Ge3 B26 2.091(2) .
Ge3 B25 2.094(2) .
Ge3 B10 2.094(2) .
Ge3 B33 2.100(2) .
Ge3 B11 2.103(2) .
Ge3 Ge3 2.3398(4) 2_676
B1 B12 1.758(3) .
B1 B17 1.759(3) .
B1 B5 1.886(3) .
B1 B2 1.890(3) .
B1 H1 1.1200 .
B2 B13 1.760(3) .
B2 B12 1.765(3) .
B2 B3 1.890(3) .
B2 H2 1.1200 .
B3 B14 1.763(3) .
B3 B13 1.774(3) .
B3 B4 1.891(3) .
B3 H3 1.1200 .
B4 B14 1.766(3) .
B4 B15 1.767(3) .
B4 B5 1.896(3) .
B4 H4 1.1200 .
B5 B15 1.765(3) .
B5 B17 1.768(3) .
B5 H5 1.1200 .
B6 B21 1.761(3) .
B6 B20 1.762(3) .
B6 B24 1.893(3) .
B6 B7 1.899(3) .
B6 H6 1.1200 .
B7 B21 1.758(3) .
B7 B22 1.762(3) .
B7 B8 1.906(3) .
B7 H7 1.1200 .
B8 B22 1.764(3) .
B8 B23 1.770(3) .
B8 B9 1.895(3) .
B8 H8 1.1200 .
B9 B23 1.763(3) .
B9 B18 1.784(3) .
B9 B24 1.894(3) .
B9 H9 1.1200 .
B10 B27 1.769(3) .
B10 B32 1.770(3) .
B10 B26 1.893(3) .
B10 B25 1.903(3) .
B10 H10 1.1200 .
B11 B31 1.776(3) .
B11 B29 1.778(3) .
B11 B25 1.891(3) .
B11 B33 1.897(3) .
B11 H11 1.1200 .
B12 B16 1.780(3) .
B12 B17 1.782(3) .
B12 B13 1.787(3) .
B12 H12 1.1200 .
B13 B14 1.780(3) .
B13 B16 1.786(3) .
B13 H13 1.1200 .
B14 B16 1.770(3) .
B14 B15 1.785(3) .
B14 H14 1.1200 .
B15 B16 1.768(3) .
B15 B17 1.777(3) .
B15 H15 1.1200 .
B16 B17 1.772(3) .
B16 H16 1.1200 .
B17 H17 1.1200 .
B18 B24 1.765(3) .
B18 B19 1.775(3) .
B18 B20 1.782(3) .
B18 B23 1.786(3) .
B18 H18 1.1200 .
B19 B21 1.782(4) .
B19 B23 1.782(4) .
B19 B22 1.783(3) .
B19 B20 1.783(3) .
B19 H19 1.1200 .
B20 B24 1.766(3) .
B20 B21 1.788(3) .
B20 H20 1.1200 .
B21 B22 1.787(3) .
B21 H21 1.1200 .
B22 B23 1.790(4) .
B22 H22 1.1200 .
B23 H23 1.1200 .
B24 H24 1.1200 .
B25 B31 1.757(3) .
B25 B32 1.770(3) .
B25 H25 1.1200 .
B26 B28 1.770(3) .
B26 B27 1.776(3) .
B26 B33 1.896(3) .
B26 H26 1.1200 .
B27 B30 1.784(3) .
B27 B32 1.785(3) .
B27 B28 1.791(3) .
B27 H27 1.1200 .
B28 B33 1.764(3) .
B28 B30 1.780(3) .
B28 B29 1.785(3) .
B28 H28 1.1200 .
B29 B33 1.762(3) .
B29 B30 1.780(3) .
B29 B31 1.790(3) .
B29 H29 1.1200 .
B30 B32 1.780(3) .
B30 B31 1.785(3) .
B30 H30 1.1200 .
B31 B32 1.782(3) .
B31 H31 1.1200 .
B32 H32 1.1200 .
B33 H33 1.1200 .
C1 N1 1.503(2) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C12 1.521(3) .
C2 C14 1.528(3) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C14 C15 1.514(3) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 N2 1.520(2) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 N2 1.512(2) .
C16 C17 1.519(3) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.525(3) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.520(3) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 N2 1.508(2) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 N2 1.517(2) .
C21 C22 1.517(3) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.530(3) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.515(3) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.515(3) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 C27 1.516(3) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.517(3) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 N1 1.523(2) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C30 C31 1.510(3) .
C30 N1 1.525(2) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.524(3) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.522(3) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 C35 1.518(3) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 C36 1.512(3) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 C37 1.516(3) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 N1 1.512(2) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 C39 1.512(3) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 C40 1.500(3) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 C41 1.516(3) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 N3 1.515(2) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C43 C44 1.506(3) .
C43 N3 1.525(3) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 C45 1.524(3) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C46 1.519(3) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 C48 1.510(3) .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 C49 1.491(3) .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 C50 1.496(3) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 N3 1.522(2) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
C51 N3 1.504(2) .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
