#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:45:54 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180154 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/50/7105068.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_7105068
loop_
_publ_author_name
'Thimer, Kelsey C'
'Al-Rafia, S M Ibrahim'
'Ferguson, Michael J'
'McDonald, Robert'
'Rivard, Eric'
_publ_section_title
;
 Donor/acceptor stabilization of Ge(II) dihydride.
;
_journal_issue                   46
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7119
_journal_page_last               7121
_journal_paper_doi               10.1039/b915950a
_journal_year                    2009
_chemical_formula_moiety         'C27 H41 B Ge N2, C7 H8'
_chemical_formula_sum            'C34 H49 B Ge N2'
_chemical_formula_weight         569.15
_chemical_name_common            2
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                84.4220(10)
_cell_angle_beta                 80.5350(10)
_cell_angle_gamma                73.4210(10)
_cell_formula_units_Z            4
_cell_length_a                   10.7242(8)
_cell_length_b                   16.9846(13)
_cell_length_c                   19.3106(15)
_cell_measurement_reflns_used    4042
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      2.14
_cell_volume                     3320.5(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0266
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            26986
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.945
_exptl_absorpt_correction_T_max  0.8091
_exptl_absorpt_correction_T_min  0.6342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.138
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.595
_refine_diff_density_min         -0.363
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     722
_refine_ls_number_reflns         26986
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0435P)²+0.8599P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0864
_refine_ls_wR_factor_ref         0.0926
_reflns_number_gt                22024
_reflns_number_total             26986
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b915950a.txt
_cod_data_source_block           riv0906
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7105068
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1A Ge 0.421124(15) 0.135565(9) 0.197602(7) 0.03053(5) Uani 1 1 d . . .
N1A N 0.47772(11) -0.04904(7) 0.23021(6) 0.0281(2) Uani 1 1 d . . .
N2A N 0.43483(11) 0.01591(7) 0.32486(5) 0.0260(2) Uani 1 1 d . . .
C1A C 0.44426(13) 0.02744(8) 0.25398(7) 0.0252(3) Uani 1 1 d . . .
C2A C 0.49170(15) -0.10792(9) 0.28540(7) 0.0343(3) Uani 1 1 d . . .
H2A H 0.5159 -0.1659 0.2820 0.041 Uiso 1 1 calc R . .
C3A C 0.46449(15) -0.06722(8) 0.34460(7) 0.0337(3) Uani 1 1 d . . .
H3A H 0.4654 -0.0909 0.3912 0.040 Uiso 1 1 calc R . .
C11A C 0.49215(14) -0.06802(8) 0.15702(7) 0.0283(3) Uani 1 1 d . . .
C12A C 0.38232(15) -0.07825(10) 0.13285(8) 0.0385(3) Uani 1 1 d . . .
C13A C 0.39912(18) -0.09866(10) 0.06312(8) 0.0447(4) Uani 1 1 d . . .
H13A H 0.3267 -0.1058 0.0444 0.054 Uiso 1 1 calc R . .
C14A C 0.51811(18) -0.10863(10) 0.02096(8) 0.0447(4) Uani 1 1 d . . .
H14A H 0.5273 -0.1232 -0.0263 0.054 Uiso 1 1 calc R . .
C15A C 0.62423(17) -0.09779(9) 0.04647(8) 0.0397(4) Uani 1 1 d . . .
H15A H 0.7058 -0.1047 0.0164 0.048 Uiso 1 1 calc R . .
C16A C 0.61424(14) -0.07681(8) 0.11548(7) 0.0312(3) Uani 1 1 d . . .
C17A C 0.25120(17) -0.06992(14) 0.17930(10) 0.0618(6) Uani 1 1 d . . .
H17A H 0.2583 -0.0519 0.2259 0.074 Uiso 1 1 calc R . .
C18A C 0.2172(3) -0.14974(17) 0.19132(19) 0.1282(14) Uani 1 1 d . . .
H18A H 0.2880 -0.1912 0.2113 0.154 Uiso 1 1 calc R . .
H18B H 0.2061 -0.1676 0.1465 0.154 Uiso 1 1 calc R . .
H18C H 0.1351 -0.1429 0.2240 0.154 Uiso 1 1 calc R . .
C19A C 0.1406(2) -0.00727(15) 0.1501(2) 0.1215(13) Uani 1 1 d . . .
H19A H 0.1608 0.0459 0.1426 0.146 Uiso 1 1 calc R . .
H19B H 0.0594 -0.0019 0.1833 0.146 Uiso 1 1 calc R . .
H19C H 0.1291 -0.0248 0.1052 0.146 Uiso 1 1 calc R . .
C20A C 0.73231(15) -0.06683(10) 0.14366(9) 0.0398(4) Uani 1 1 d . . .
H20D H 0.6991 -0.0352 0.1871 0.048 Uiso 1 1 calc R . .
C21A C 0.80994(19) -0.01859(14) 0.09212(12) 0.0644(5) Uani 1 1 d . . .
H21A H 0.7508 0.0340 0.0780 0.077 Uiso 1 1 calc R . .
H21B H 0.8502 -0.0504 0.0505 0.077 Uiso 1 1 calc R . .
H21C H 0.8789 -0.0083 0.1146 0.077 Uiso 1 1 calc R . .
C22A C 0.8194(2) -0.15112(13) 0.16468(12) 0.0673(6) Uani 1 1 d . . .
H22A H 0.7682 -0.1791 0.2003 0.081 Uiso 1 1 calc R . .
H22B H 0.8943 -0.1441 0.1840 0.081 Uiso 1 1 calc R . .
H22C H 0.8515 -0.1842 0.1232 0.081 Uiso 1 1 calc R . .
C31A C 0.40260(14) 0.08006(8) 0.37443(6) 0.0273(3) Uani 1 1 d . . .
C32A C 0.27059(14) 0.12262(8) 0.39312(7) 0.0297(3) Uani 1 1 d . . .
C33A C 0.24354(16) 0.18113(9) 0.44333(8) 0.0377(3) Uani 1 1 d . . .
H33A H 0.1550 0.2111 0.4578 0.045 Uiso 1 1 calc R . .
C34A C 0.34340(17) 0.19631(9) 0.47252(8) 0.0419(4) Uani 1 1 d . . .
H34A H 0.3228 0.2357 0.5073 0.050 Uiso 1 1 calc R . .
C35A C 0.47238(17) 0.15457(10) 0.45143(8) 0.0396(4) Uani 1 1 d . . .
H35A H 0.5399 0.1666 0.4712 0.048 Uiso 1 1 calc R . .
C36A C 0.50613(15) 0.09473(9) 0.40155(7) 0.0323(3) Uani 1 1 d . . .
C37A C 0.16128(14) 0.10624(9) 0.36013(8) 0.0349(3) Uani 1 1 d . . .
H37A H 0.1973 0.0936 0.3101 0.042 Uiso 1 1 calc R . .
C38A C 0.04158(16) 0.18100(11) 0.35935(9) 0.0471(4) Uani 1 1 d . . .
H38A H 0.0702 0.2296 0.3404 0.057 Uiso 1 1 calc R . .
H38B H -0.0043 0.1901 0.4074 0.057 Uiso 1 1 calc R . .
H38C H -0.0180 0.1712 0.3298 0.057 Uiso 1 1 calc R . .
C39A C 0.12032(17) 0.03117(10) 0.39553(10) 0.0483(4) Uani 1 1 d . . .
H39A H 0.1967 -0.0173 0.3920 0.058 Uiso 1 1 calc R . .
H39B H 0.0518 0.0218 0.3721 0.058 Uiso 1 1 calc R . .
H39C H 0.0862 0.0409 0.4452 0.058 Uiso 1 1 calc R . .
C40A C 0.64902(15) 0.05143(10) 0.37742(8) 0.0398(4) Uani 1 1 d . . .
H40A H 0.6516 0.0076 0.3457 0.048 Uiso 1 1 calc R . .
C41A C 0.71933(18) 0.00998(11) 0.43935(10) 0.0531(4) Uani 1 1 d . . .
H41A H 0.6740 -0.0291 0.4648 0.064 Uiso 1 1 calc R . .
H41B H 0.7188 0.0518 0.4711 0.064 Uiso 1 1 calc R . .
H41C H 0.8103 -0.0194 0.4220 0.064 Uiso 1 1 calc R . .
C42A C 0.71979(19) 0.11109(15) 0.33535(11) 0.0689(6) Uani 1 1 d . . .
H42A H 0.6749 0.1356 0.2949 0.083 Uiso 1 1 calc R . .
H42B H 0.8109 0.0813 0.3187 0.083 Uiso 1 1 calc R . .
H42C H 0.7189 0.1546 0.3654 0.083 Uiso 1 1 calc R . .
B1A B 0.2454(2) 0.18870(12) 0.16045(10) 0.0453(5) Uani 1 1 d . . .
H1AA H 0.2406 0.1592 0.1202 0.054 Uiso 1 1 calc R . .
H1AB H 0.2392 0.2464 0.1457 0.054 Uiso 1 1 calc R . .
H1AC H 0.1726 0.1858 0.1977 0.054 Uiso 1 1 calc R . .
H1C H 0.5428(16) 0.1118(10) 0.1461(8) 0.046(5) Uiso 1 1 d . . .
H2C H 0.4611(15) 0.1801(10) 0.2475(8) 0.043(4) Uiso 1 1 d . . .
Ge1B Ge 0.121110(16) 0.371423(9) 0.702495(8) 0.03353(5) Uani 1 1 d . . .
N1B N 0.03900(11) 0.55450(7) 0.71996(6) 0.0274(2) Uani 1 1 d . . .
N2B N 0.08155(12) 0.48907(7) 0.81784(6) 0.0293(3) Uani 1 1 d . . .
C1B C 0.07864(13) 0.47798(8) 0.74967(7) 0.0268(3) Uani 1 1 d . . .
C2B C 0.01517(15) 0.61281(9) 0.76927(7) 0.0341(3) Uani 1 1 d . . .
H2B H -0.0144 0.6708 0.7613 0.041 Uiso 1 1 calc R . .
C3B C 0.04176(16) 0.57197(9) 0.83029(7) 0.0351(3) Uani 1 1 d . . .
H3B H 0.0347 0.5955 0.8739 0.042 Uiso 1 1 calc R . .
C11B C 0.02300(14) 0.57307(8) 0.64636(7) 0.0284(3) Uani 1 1 d . . .
C12B C 0.13078(14) 0.58438(9) 0.59915(7) 0.0328(3) Uani 1 1 d . . .
C13B C 0.11054(17) 0.60532(10) 0.52941(8) 0.0407(4) Uani 1 1 d . . .
H13B H 0.1805 0.6147 0.4956 0.049 Uiso 1 1 calc R . .
C14B C -0.00915(17) 0.61252(9) 0.50893(8) 0.0419(4) Uani 1 1 d . . .
H14B H -0.0207 0.6270 0.4612 0.050 Uiso 1 1 calc R . .
C15B C -0.11268(16) 0.59910(9) 0.55645(8) 0.0380(3) Uani 1 1 d . . .
H15B H -0.1939 0.6033 0.5408 0.046 Uiso 1 1 calc R . .
C16B C -0.09997(14) 0.57935(8) 0.62725(7) 0.0307(3) Uani 1 1 d . . .
C17B C 0.26361(15) 0.57479(10) 0.62201(8) 0.0413(4) Uani 1 1 d . . .
H17B H 0.2699 0.5370 0.6652 0.050 Uiso 1 1 calc R . .
C18B C 0.27591(19) 0.65722(13) 0.64110(11) 0.0601(5) Uani 1 1 d . . .
H18D H 0.2071 0.6788 0.6800 0.072 Uiso 1 1 calc R . .
H18E H 0.2662 0.6963 0.6002 0.072 Uiso 1 1 calc R . .
H18F H 0.3624 0.6494 0.6554 0.072 Uiso 1 1 calc R . .
C19B C 0.37806(18) 0.53666(13) 0.56618(11) 0.0594(5) Uani 1 1 d . . .
H19D H 0.3642 0.4872 0.5502 0.071 Uiso 1 1 calc R . .
H19E H 0.4604 0.5220 0.5863 0.071 Uiso 1 1 calc R . .
H19F H 0.3830 0.5764 0.5262 0.071 Uiso 1 1 calc R . .
C20B C -0.21536(15) 0.56734(10) 0.68010(8) 0.0385(3) Uani 1 1 d . . .
H20E H -0.1797 0.5371 0.7228 0.046 Uiso 1 1 calc R . .
C21B C -0.29000(19) 0.51604(13) 0.65251(12) 0.0634(5) Uani 1 1 d . . .
H21D H -0.2286 0.4640 0.6368 0.076 Uiso 1 1 calc R . .
H21E H -0.3324 0.5463 0.6129 0.076 Uiso 1 1 calc R . .
H21F H -0.3571 0.5047 0.6900 0.076 Uiso 1 1 calc R . .
C22B C -0.30758(19) 0.65016(12) 0.70238(11) 0.0631(5) Uani 1 1 d . . .
H22D H -0.2585 0.6814 0.7217 0.076 Uiso 1 1 calc R . .
H22E H -0.3789 0.6412 0.7383 0.076 Uiso 1 1 calc R . .
H22F H -0.3446 0.6811 0.6615 0.076 Uiso 1 1 calc R . .
C31B C 0.10841(15) 0.42479(8) 0.87308(7) 0.0325(3) Uani 1 1 d . . .
C32B C 0.23981(16) 0.38475(9) 0.88052(8) 0.0379(3) Uani 1 1 d . . .
C33B C 0.2592(2) 0.32689(10) 0.93718(9) 0.0493(4) Uani 1 1 d . . .
H33B H 0.3463 0.2978 0.9445 0.059 Uiso 1 1 calc R . .
C34B C 0.1548(2) 0.31108(10) 0.98273(9) 0.0549(5) Uani 1 1 d . . .
H34B H 0.1710 0.2727 1.0217 0.066 Uiso 1 1 calc R . .
C35B C 0.0279(2) 0.35007(10) 0.97246(8) 0.0486(4) Uani 1 1 d . . .
H35B H -0.0428 0.3373 1.0037 0.058 Uiso 1 1 calc R . .
C36B C 0.00089(17) 0.40855(9) 0.91659(7) 0.0378(3) Uani 1 1 d . . .
C37B C 0.35387(17) 0.40286(11) 0.83039(9) 0.0490(4) Uani 1 1 d . . .
H37B H 0.3247 0.4175 0.7831 0.059 Uiso 1 1 calc R . .
C38B C 0.4747(2) 0.32910(15) 0.82267(13) 0.0804(7) Uani 1 1 d . . .
H38D H 0.4492 0.2808 0.8128 0.096 Uiso 1 1 calc R . .
H38E H 0.5135 0.3182 0.8664 0.096 Uiso 1 1 calc R . .
H38F H 0.5393 0.3408 0.7838 0.096 Uiso 1 1 calc R . .
C39B C 0.3908(2) 0.47636(15) 0.85181(12) 0.0733(6) Uani 1 1 d . . .
H39D H 0.3140 0.5245 0.8541 0.088 Uiso 1 1 calc R . .
H39E H 0.4617 0.4880 0.8170 0.088 Uiso 1 1 calc R . .
H39F H 0.4205 0.4638 0.8980 0.088 Uiso 1 1 calc R . .
C40B C -0.13989(17) 0.44801(11) 0.90376(9) 0.0485(4) Uani 1 1 d . . .
H40B H -0.1408 0.4969 0.8704 0.058 Uiso 1 1 calc R . .
C41B C -0.2305(2) 0.47752(15) 0.97150(12) 0.0731(6) Uani 1 1 d . . .
H41D H -0.1953 0.5145 0.9936 0.088 Uiso 1 1 calc R . .
H41E H -0.2360 0.4300 1.0038 0.088 Uiso 1 1 calc R . .
H41F H -0.3184 0.5070 0.9605 0.088 Uiso 1 1 calc R . .
C42B C -0.1918(2) 0.38870(17) 0.87021(12) 0.0798(7) Uani 1 1 d . . .
H42D H -0.1370 0.3730 0.8252 0.096 Uiso 1 1 calc R . .
H42E H -0.2826 0.4154 0.8623 0.096 Uiso 1 1 calc R . .
H42F H -0.1893 0.3394 0.9015 0.096 Uiso 1 1 calc R . .
B1B B 0.3009(2) 0.33233(15) 0.64217(12) 0.0597(6) Uani 1 1 d . . .
H1BA H 0.2965 0.3575 0.5945 0.072 Uiso 1 1 calc R . .
H1BB H 0.3254 0.2723 0.6403 0.072 Uiso 1 1 calc R . .
H1BC H 0.3670 0.3484 0.6628 0.072 Uiso 1 1 calc R . .
H1D H 0.0042(18) 0.3879(11) 0.6681(9) 0.057(5) Uiso 1 1 d . . .
H2D H 0.0889(17) 0.3209(11) 0.7648(9) 0.059(5) Uiso 1 1 d . . .
C10S C -0.0407(2) 0.80826(13) 0.35314(11) 0.0637(5) Uani 1 1 d . . .
H10A H -0.0692 0.8682 0.3456 0.076 Uiso 1 1 calc R . .
H10B H -0.1056 0.7902 0.3881 0.076 Uiso 1 1 calc R . .
H10C H -0.0328 0.7826 0.3087 0.076 Uiso 1 1 calc R . .
C11S C 0.09008(18) 0.78341(10) 0.37920(9) 0.0446(4) Uani 1 1 d . . .
C12S C 0.10984(19) 0.82043(11) 0.43567(9) 0.0493(4) Uani 1 1 d . . .
H12S H 0.0393 0.8615 0.4585 0.059 Uiso 1 1 calc R . .
C13S C 0.2296(2) 0.79884(12) 0.45930(10) 0.0598(5) Uani 1 1 d . . .
H13S H 0.2404 0.8248 0.4985 0.072 Uiso 1 1 calc R . .
C14S C 0.3344(2) 0.74009(12) 0.42703(11) 0.0581(5) Uani 1 1 d . . .
H14S H 0.4176 0.7262 0.4430 0.070 Uiso 1 1 calc R . .
C15S C 0.3163(2) 0.70181(12) 0.37112(10) 0.0573(5) Uani 1 1 d . . .
H15S H 0.3872 0.6605 0.3487 0.069 Uiso 1 1 calc R . .
C16S C 0.19558(19) 0.72329(11) 0.34763(9) 0.0531(4) Uani 1 1 d . . .
H16S H 0.1844 0.6964 0.3091 0.064 Uiso 1 1 calc R . .
C20S C 0.5184(3) 0.3286(2) 0.0864(2) 0.1469(16) Uani 1 1 d . . .
H20A H 0.4890 0.3205 0.0429 0.176 Uiso 1 1 calc R . .
H20B H 0.5126 0.3870 0.0889 0.176 Uiso 1 1 calc R . .
H20C H 0.4624 0.3113 0.1269 0.176 Uiso 1 1 calc R . .
C21S C 0.6566(2) 0.27898(14) 0.08728(15) 0.0732(7) Uani 1 1 d . . .
C22S C 0.7275(3) 0.23879(16) 0.03309(14) 0.0826(7) Uani 1 1 d . . .
H22S H 0.6881 0.2409 -0.0079 0.099 Uiso 1 1 calc R . .
C23S C 0.8497(4) 0.19599(19) 0.0330(2) 0.1097(10) Uani 1 1 d . . .
H23S H 0.8970 0.1683 -0.0077 0.132 Uiso 1 1 calc R . .
C24S C 0.9092(3) 0.19071(19) 0.0897(3) 0.1246(16) Uani 1 1 d . . .
H24S H 0.9979 0.1586 0.0888 0.149 Uiso 1 1 calc R . .
C25S C 0.8437(5) 0.2312(3) 0.1498(2) 0.1340(18) Uani 1 1 d . . .
H25S H 0.8856 0.2286 0.1900 0.161 Uiso 1 1 calc R . .
C26S C 0.7108(4) 0.27683(19) 0.14795(16) 0.1092(10) Uani 1 1 d . . .
H26S H 0.6599 0.3053 0.1876 0.131 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1A Ge1A B1A 118.82(7) . . ?
C1A Ge1A H1C 97.7(6) . . ?
B1A Ge1A H1C 118.6(6) . . ?
C1A Ge1A H2C 97.4(6) . . ?
B1A Ge1A H2C 118.3(6) . . ?
H1C Ge1A H2C 101.8(9) . . ?
C1A N1A C2A 110.92(11) . . ?
C1A N1A C11A 125.16(11) . . ?
C2A N1A C11A 123.88(11) . . ?
C1A N2A C3A 110.56(11) . . ?
C1A N2A C31A 125.93(11) . . ?
C3A N2A C31A 123.49(11) . . ?
N1A C1A N2A 104.83(11) . . ?
N1A C1A Ge1A 128.28(9) . . ?
N2A C1A Ge1A 126.83(9) . . ?
C3A C2A N1A 106.69(12) . . ?
C3A C2A H2A 126.7 . . ?
N1A C2A H2A 126.7 . . ?
C2A C3A N2A 106.99(12) . . ?
C2A C3A H3A 126.5 . . ?
N2A C3A H3A 126.5 . . ?
C16A C11A C12A 123.73(13) . . ?
C16A C11A N1A 118.83(12) . . ?
C12A C11A N1A 117.42(13) . . ?
C13A C12A C11A 116.55(15) . . ?
C13A C12A C17A 120.59(15) . . ?
C11A C12A C17A 122.84(14) . . ?
C14A C13A C12A 121.30(15) . . ?
C14A C13A H13A 119.3 . . ?
C12A C13A H13A 119.3 . . ?
C13A C14A C15A 120.58(14) . . ?
C13A C14A H14A 119.7 . . ?
C15A C14A H14A 119.7 . . ?
C14A C15A C16A 121.19(15) . . ?
C14A C15A H15A 119.4 . . ?
C16A C15A H15A 119.4 . . ?
C15A C16A C11A 116.63(13) . . ?
C15A C16A C20A 120.87(14) . . ?
C11A C16A C20A 122.47(13) . . ?
C18A C17A C19A 108.45(19) . . ?
C18A C17A C12A 111.73(18) . . ?
C19A C17A C12A 112.8(2) . . ?
C18A C17A H17A 107.9 . . ?
C19A C17A H17A 107.9 . . ?
C12A C17A H17A 107.9 . . ?
C17A C18A H18A 109.5 . . ?
C17A C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
C17A C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
C17A C19A H19A 109.5 . . ?
C17A C19A H19B 109.5 . . ?
H19A C19A H19B 109.5 . . ?
C17A C19A H19C 109.5 . . ?
H19A C19A H19C 109.5 . . ?
H19B C19A H19C 109.5 . . ?
C16A C20A C21A 112.51(14) . . ?
C16A C20A C22A 109.89(14) . . ?
C21A C20A C22A 111.40(16) . . ?
C16A C20A H20D 107.6 . . ?
C21A C20A H20D 107.6 . . ?
C22A C20A H20D 107.6 . . ?
C20A C21A H21A 109.5 . . ?
C20A C21A H21B 109.5 . . ?
H21A C21A H21B 109.5 . . ?
C20A C21A H21C 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
C20A C22A H22A 109.5 . . ?
C20A C22A H22B 109.5 . . ?
H22A C22A H22B 109.5 . . ?
C20A C22A H22C 109.5 . . ?
H22A C22A H22C 109.5 . . ?
H22B C22A H22C 109.5 . . ?
C36A C31A C32A 123.80(13) . . ?
C36A C31A N2A 117.50(12) . . ?
C32A C31A N2A 118.69(12) . . ?
C33A C32A C31A 116.77(13) . . ?
C33A C32A C37A 121.43(13) . . ?
C31A C32A C37A 121.80(12) . . ?
C34A C33A C32A 121.13(14) . . ?
C34A C33A H33A 119.4 . . ?
C32A C33A H33A 119.4 . . ?
C35A C34A C33A 120.33(14) . . ?
C35A C34A H34A 119.8 . . ?
C33A C34A H34A 119.8 . . ?
C34A C35A C36A 121.38(15) . . ?
C34A C35A H35A 119.3 . . ?
C36A C35A H35A 119.3 . . ?
C31A C36A C35A 116.55(14) . . ?
C31A C36A C40A 122.94(13) . . ?
C35A C36A C40A 120.48(14) . . ?
C32A C37A C38A 112.67(13) . . ?
C32A C37A C39A 111.93(12) . . ?
C38A C37A C39A 110.42(14) . . ?
C32A C37A H37A 107.2 . . ?
C38A C37A H37A 107.2 . . ?
C39A C37A H37A 107.2 . . ?
C37A C38A H38A 109.5 . . ?
C37A C38A H38B 109.5 . . ?
H38A C38A H38B 109.5 . . ?
C37A C38A H38C 109.5 . . ?
H38A C38A H38C 109.5 . . ?
H38B C38A H38C 109.5 . . ?
C37A C39A H39A 109.5 . . ?
C37A C39A H39B 109.5 . . ?
H39A C39A H39B 109.5 . . ?
C37A C39A H39C 109.5 . . ?
H39A C39A H39C 109.5 . . ?
H39B C39A H39C 109.5 . . ?
C36A C40A C41A 111.33(13) . . ?
C36A C40A C42A 110.98(14) . . ?
C41A C40A C42A 110.73(14) . . ?
C36A C40A H40A 107.9 . . ?
C41A C40A H40A 107.9 . . ?
C42A C40A H40A 107.9 . . ?
C40A C41A H41A 109.5 . . ?
C40A C41A H41B 109.5 . . ?
H41A C41A H41B 109.5 . . ?
C40A C41A H41C 109.5 . . ?
H41A C41A H41C 109.5 . . ?
H41B C41A H41C 109.5 . . ?
C40A C42A H42A 109.5 . . ?
C40A C42A H42B 109.5 . . ?
H42A C42A H42B 109.5 . . ?
C40A C42A H42C 109.5 . . ?
H42A C42A H42C 109.5 . . ?
H42B C42A H42C 109.5 . . ?
Ge1A B1A H1AA 109.5 . . ?
Ge1A B1A H1AB 109.5 . . ?
H1AA B1A H1AB 109.5 . . ?
Ge1A B1A H1AC 109.5 . . ?
H1AA B1A H1AC 109.5 . . ?
H1AB B1A H1AC 109.5 . . ?
C1B Ge1B B1B 118.26(8) . . ?
C1B Ge1B H1D 98.7(7) . . ?
B1B Ge1B H1D 117.9(7) . . ?
C1B Ge1B H2D 97.3(7) . . ?
B1B Ge1B H2D 118.7(7) . . ?
H1D Ge1B H2D 102.2(10) . . ?
C1B N1B C2B 110.63(11) . . ?
C1B N1B C11B 124.67(11) . . ?
C2B N1B C11B 124.70(11) . . ?
C1B N2B C3B 110.35(11) . . ?
C1B N2B C31B 126.19(11) . . ?
C3B N2B C31B 123.16(11) . . ?
N1B C1B N2B 105.05(11) . . ?
N1B C1B Ge1B 126.98(9) . . ?
N2B C1B Ge1B 127.96(10) . . ?
C3B C2B N1B 106.90(12) . . ?
C3B C2B H2B 126.5 . . ?
N1B C2B H2B 126.5 . . ?
C2B C3B N2B 107.06(12) . . ?
C2B C3B H3B 126.5 . . ?
N2B C3B H3B 126.5 . . ?
C12B C11B C16B 124.02(12) . . ?
C12B C11B N1B 118.03(12) . . ?
C16B C11B N1B 117.94(12) . . ?
C13B C12B C11B 116.53(14) . . ?
C13B C12B C17B 121.30(14) . . ?
C11B C12B C17B 122.17(13) . . ?
C14B C13B C12B 120.95(15) . . ?
C14B C13B H13B 119.5 . . ?
C12B C13B H13B 119.5 . . ?
C13B C14B C15B 121.12(14) . . ?
C13B C14B H14B 119.4 . . ?
C15B C14B H14B 119.4 . . ?
C14B C15B C16B 120.95(15) . . ?
C14B C15B H15B 119.5 . . ?
C16B C15B H15B 119.5 . . ?
C15B C16B C11B 116.40(14) . . ?
C15B C16B C20B 120.98(13) . . ?
C11B C16B C20B 122.61(12) . . ?
C12B C17B C18B 111.09(13) . . ?
C12B C17B C19B 112.35(14) . . ?
C18B C17B C19B 109.91(15) . . ?
C12B C17B H17B 107.8 . . ?
C18B C17B H17B 107.8 . . ?
C19B C17B H17B 107.8 . . ?
C17B C18B H18D 109.5 . . ?
C17B C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
C17B C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
C17B C19B H19D 109.5 . . ?
C17B C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
C17B C19B H19F 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 109.5 . . ?
C16B C20B C21B 112.34(14) . . ?
C16B C20B C22B 110.60(13) . . ?
C21B C20B C22B 110.66(15) . . ?
C16B C20B H20E 107.7 . . ?
C21B C20B H20E 107.7 . . ?
C22B C20B H20E 107.7 . . ?
C20B C21B H21D 109.5 . . ?
C20B C21B H21E 109.5 . . ?
H21D C21B H21E 109.5 . . ?
C20B C21B H21F 109.5 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?
C20B C22B H22D 109.5 . . ?
C20B C22B H22E 109.5 . . ?
H22D C22B H22E 109.5 . . ?
C20B C22B H22F 109.5 . . ?
H22D C22B H22F 109.5 . . ?
H22E C22B H22F 109.5 . . ?
C36B C31B C32B 124.20(13) . . ?
C36B C31B N2B 117.19(13) . . ?
C32B C31B N2B 118.59(13) . . ?
C33B C32B C31B 115.85(16) . . ?
C33B C32B C37B 121.89(15) . . ?
C31B C32B C37B 122.25(13) . . ?
C34B C33B C32B 121.50(16) . . ?
C34B C33B H33B 119.3 . . ?
C32B C33B H33B 119.3 . . ?
C35B C34B C33B 120.72(15) . . ?
C35B C34B H34B 119.6 . . ?
C33B C34B H34B 119.6 . . ?
C34B C35B C36B 120.93(17) . . ?
C34B C35B H35B 119.5 . . ?
C36B C35B H35B 119.5 . . ?
C31B C36B C35B 116.74(15) . . ?
C31B C36B C40B 122.93(13) . . ?
C35B C36B C40B 120.27(15) . . ?
C32B C37B C38B 112.91(17) . . ?
C32B C37B C39B 111.70(14) . . ?
C38B C37B C39B 109.70(18) . . ?
C32B C37B H37B 107.4 . . ?
C38B C37B H37B 107.4 . . ?
C39B C37B H37B 107.4 . . ?
C37B C38B H38D 109.5 . . ?
C37B C38B H38E 109.5 . . ?
H38D C38B H38E 109.5 . . ?
C37B C38B H38F 109.5 . . ?
H38D C38B H38F 109.5 . . ?
H38E C38B H38F 109.5 . . ?
C37B C39B H39D 109.5 . . ?
C37B C39B H39E 109.5 . . ?
H39D C39B H39E 109.5 . . ?
C37B C39B H39F 109.5 . . ?
H39D C39B H39F 109.5 . . ?
H39E C39B H39F 109.5 . . ?
C36B C40B C42B 110.80(16) . . ?
C36B C40B C41B 111.91(15) . . ?
C42B C40B C41B 109.80(17) . . ?
C36B C40B H40B 108.1 . . ?
C42B C40B H40B 108.1 . . ?
C41B C40B H40B 108.1 . . ?
C40B C41B H41D 109.5 . . ?
C40B C41B H41E 109.5 . . ?
H41D C41B H41E 109.5 . . ?
C40B C41B H41F 109.5 . . ?
H41D C41B H41F 109.5 . . ?
H41E C41B H41F 109.5 . . ?
C40B C42B H42D 109.5 . . ?
C40B C42B H42E 109.5 . . ?
H42D C42B H42E 109.5 . . ?
C40B C42B H42F 109.5 . . ?
H42D C42B H42F 109.5 . . ?
H42E C42B H42F 109.5 . . ?
Ge1B B1B H1BA 109.5 . . ?
Ge1B B1B H1BB 109.5 . . ?
H1BA B1B H1BB 109.5 . . ?
Ge1B B1B H1BC 109.5 . . ?
H1BA B1B H1BC 109.5 . . ?
H1BB B1B H1BC 109.5 . . ?
C11S C10S H10A 109.5 . . ?
C11S C10S H10B 109.5 . . ?
H10A C10S H10B 109.5 . . ?
C11S C10S H10C 109.5 . . ?
H10A C10S H10C 109.5 . . ?
H10B C10S H10C 109.5 . . ?
C12S C11S C16S 117.57(17) . . ?
C12S C11S C10S 120.75(17) . . ?
C16S C11S C10S 121.67(16) . . ?
C13S C12S C11S 121.17(18) . . ?
C13S C12S H12S 119.4 . . ?
C11S C12S H12S 119.4 . . ?
C12S C13S C14S 120.94(18) . . ?
C12S C13S H13S 119.5 . . ?
C14S C13S H13S 119.5 . . ?
C13S C14S C15S 118.77(19) . . ?
C13S C14S H14S 120.6 . . ?
C15S C14S H14S 120.6 . . ?
C14S C15S C16S 120.21(19) . . ?
C14S C15S H15S 119.9 . . ?
C16S C15S H15S 119.9 . . ?
C15S C16S C11S 121.32(17) . . ?
C15S C16S H16S 119.3 . . ?
C11S C16S H16S 119.3 . . ?
C21S C20S H20A 109.5 . . ?
C21S C20S H20B 109.5 . . ?
H20A C20S H20B 109.5 . . ?
C21S C20S H20C 109.5 . . ?
H20A C20S H20C 109.5 . . ?
H20B C20S H20C 109.5 . . ?
C22S C21S C26S 120.1(3) . . ?
C22S C21S C20S 122.5(3) . . ?
C26S C21S C20S 117.5(3) . . ?
C23S C22S C21S 122.9(3) . . ?
C23S C22S H22S 118.6 . . ?
C21S C22S H22S 118.6 . . ?
C22S C23S C24S 120.8(4) . . ?
C22S C23S H23S 119.6 . . ?
C24S C23S H23S 119.6 . . ?
C23S C24S C25S 121.2(3) . . ?
C23S C24S H24S 119.4 . . ?
C25S C24S H24S 119.4 . . ?
C24S C25S C26S 116.3(3) . . ?
C24S C25S H25S 121.8 . . ?
C26S C25S H25S 121.8 . . ?
C21S C26S C25S 118.7(3) . . ?
C21S C26S H26S 120.6 . . ?
C25S C26S H26S 120.6 . . ?
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
Ge1A C1A 2.0148(13) . ?
Ge1A B1A 2.0567(18) . ?
Ge1A H1C 1.485(16) . ?
Ge1A H2C 1.464(16) . ?
N1A C1A 1.3499(17) . ?
N1A C2A 1.3850(17) . ?
N1A C11A 1.4540(16) . ?
N2A C1A 1.3550(16) . ?
N2A C3A 1.3852(17) . ?
N2A C31A 1.4497(16) . ?
C2A C3A 1.341(2) . ?
C2A H2A 0.9500 . ?
C3A H3A 0.9500 . ?
C11A C16A 1.395(2) . ?
C11A C12A 1.396(2) . ?
C12A C13A 1.393(2) . ?
C12A C17A 1.516(2) . ?
C13A C14A 1.372(2) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.376(2) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.392(2) . ?
C15A H15A 0.9500 . ?
C16A C20A 1.515(2) . ?
C17A C18A 1.489(3) . ?
C17A C19A 1.497(3) . ?
C17A H17A 1.0000 . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18A H18C 0.9800 . ?
C19A H19A 0.9800 . ?
C19A H19B 0.9800 . ?
C19A H19C 0.9800 . ?
C20A C21A 1.521(2) . ?
C20A C22A 1.528(2) . ?
C20A H20D 1.0000 . ?
C21A H21A 0.9800 . ?
C21A H21B 0.9800 . ?
C21A H21C 0.9800 . ?
C22A H22A 0.9800 . ?
C22A H22B 0.9800 . ?
C22A H22C 0.9800 . ?
C31A C36A 1.394(2) . ?
C31A C32A 1.3984(19) . ?
C32A C33A 1.394(2) . ?
C32A C37A 1.524(2) . ?
C33A C34A 1.384(2) . ?
C33A H33A 0.9500 . ?
C34A C35A 1.376(2) . ?
C34A H34A 0.9500 . ?
C35A C36A 1.399(2) . ?
C35A H35A 0.9500 . ?
C36A C40A 1.515(2) . ?
C37A C38A 1.527(2) . ?
C37A C39A 1.529(2) . ?
C37A H37A 1.0000 . ?
C38A H38A 0.9800 . ?
C38A H38B 0.9800 . ?
C38A H38C 0.9800 . ?
C39A H39A 0.9800 . ?
C39A H39B 0.9800 . ?
C39A H39C 0.9800 . ?
C40A C41A 1.525(2) . ?
C40A C42A 1.529(2) . ?
C40A H40A 1.0000 . ?
C41A H41A 0.9800 . ?
C41A H41B 0.9800 . ?
C41A H41C 0.9800 . ?
C42A H42A 0.9800 . ?
C42A H42B 0.9800 . ?
C42A H42C 0.9800 . ?
B1A H1AA 0.9800 . ?
B1A H1AB 0.9800 . ?
B1A H1AC 0.9800 . ?
Ge1B C1B 2.0065(13) . ?
Ge1B B1B 2.049(2) . ?
Ge1B H1D 1.460(18) . ?
Ge1B H2D 1.462(18) . ?
N1B C1B 1.3488(17) . ?
N1B C2B 1.3826(17) . ?
N1B C11B 1.4529(16) . ?
N2B C1B 1.3544(16) . ?
N2B C3B 1.3827(18) . ?
N2B C31B 1.4519(17) . ?
C2B C3B 1.338(2) . ?
C2B H2B 0.9500 . ?
C3B H3B 0.9500 . ?
C11B C12B 1.396(2) . ?
C11B C16B 1.400(2) . ?
C12B C13B 1.395(2) . ?
C12B C17B 1.520(2) . ?
C13B C14B 1.374(2) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.377(2) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.395(2) . ?
C15B H15B 0.9500 . ?
C16B C20B 1.517(2) . ?
C17B C18B 1.528(3) . ?
C17B C19B 1.528(2) . ?
C17B H17B 1.0000 . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?
C19B H19D 0.9800 . ?
C19B H19E 0.9800 . ?
C19B H19F 0.9800 . ?
C20B C21B 1.521(2) . ?
C20B C22B 1.525(2) . ?
C20B H20E 1.0000 . ?
C21B H21D 0.9800 . ?
C21B H21E 0.9800 . ?
C21B H21F 0.9800 . ?
C22B H22D 0.9800 . ?
C22B H22E 0.9800 . ?
C22B H22F 0.9800 . ?
C31B C36B 1.389(2) . ?
C31B C32B 1.403(2) . ?
C32B C33B 1.398(2) . ?
C32B C37B 1.515(2) . ?
C33B C34B 1.379(3) . ?
C33B H33B 0.9500 . ?
C34B C35B 1.371(3) . ?
C34B H34B 0.9500 . ?
C35B C36B 1.402(2) . ?
C35B H35B 0.9500 . ?
C36B C40B 1.518(2) . ?
C37B C38B 1.523(3) . ?
C37B C39B 1.524(3) . ?
C37B H37B 1.0000 . ?
C38B H38D 0.9800 . ?
C38B H38E 0.9800 . ?
C38B H38F 0.9800 . ?
C39B H39D 0.9800 . ?
C39B H39E 0.9800 . ?
C39B H39F 0.9800 . ?
C40B C42B 1.520(3) . ?
C40B C41B 1.529(3) . ?
C40B H40B 1.0000 . ?
C41B H41D 0.9800 . ?
C41B H41E 0.9800 . ?
C41B H41F 0.9800 . ?
C42B H42D 0.9800 . ?
C42B H42E 0.9800 . ?
C42B H42F 0.9800 . ?
B1B H1BA 0.9800 . ?
B1B H1BB 0.9800 . ?
B1B H1BC 0.9800 . ?
C10S C11S 1.500(3) . ?
C10S H10A 0.9800 . ?
C10S H10B 0.9800 . ?
C10S H10C 0.9800 . ?
C11S C12S 1.384(2) . ?
C11S C16S 1.389(2) . ?
C12S C13S 1.373(3) . ?
C12S H12S 0.9500 . ?
C13S C14S 1.378(3) . ?
C13S H13S 0.9500 . ?
C14S C15S 1.380(3) . ?
C14S H14S 0.9500 . ?
C15S C16S 1.381(3) . ?
C15S H15S 0.9500 . ?
C16S H16S 0.9500 . ?
C20S C21S 1.484(4) . ?
C20S H20A 0.9800 . ?
C20S H20B 0.9800 . ?
C20S H20C 0.9800 . ?
C21S C22S 1.311(4) . ?
C21S C26S 1.383(4) . ?
C22S C23S 1.305(4) . ?
C22S H22S 0.9500 . ?
C23S C24S 1.338(5) . ?
C23S H23S 0.9500 . ?
C24S C25S 1.388(5) . ?
C24S H24S 0.9500 . ?
C25S C26S 1.420(5) . ?
C25S H25S 0.9500 . ?
C26S H26S 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2A N1A C1A N2A -1.18(15) . . . . ?
C11A N1A C1A N2A 176.41(12) . . . . ?
C2A N1A C1A Ge1A 176.23(10) . . . . ?
C11A N1A C1A Ge1A -6.2(2) . . . . ?
C3A N2A C1A N1A 1.02(15) . . . . ?
C31A N2A C1A N1A 179.17(12) . . . . ?
C3A N2A C1A Ge1A -176.44(10) . . . . ?
C31A N2A C1A Ge1A 1.71(19) . . . . ?
H2C Ge1A C1A N1A -149.4(6) . . . . ?
H1C Ge1A C1A N1A -46.3(6) . . . . ?
B1A Ge1A C1A N1A 82.45(14) . . . . ?
H2C Ge1A C1A N2A 27.5(6) . . . . ?
H1C Ge1A C1A N2A 130.5(6) . . . . ?
B1A Ge1A C1A N2A -100.68(13) . . . . ?
C1A N1A C2A C3A 0.92(17) . . . . ?
C11A N1A C2A C3A -176.71(13) . . . . ?
N1A C2A C3A N2A -0.26(17) . . . . ?
C1A N2A C3A C2A -0.48(17) . . . . ?
C31A N2A C3A C2A -178.69(13) . . . . ?
C1A N1A C11A C16A 88.72(16) . . . . ?
C2A N1A C11A C16A -93.99(17) . . . . ?
C1A N1A C11A C12A -92.69(17) . . . . ?
C2A N1A C11A C12A 84.60(17) . . . . ?
C16A C11A C12A C13A 0.2(2) . . . . ?
N1A C11A C12A C13A -178.27(13) . . . . ?
C16A C11A C12A C17A 178.85(16) . . . . ?
N1A C11A C12A C17A 0.3(2) . . . . ?
C11A C12A C13A C14A 0.5(2) . . . . ?
C17A C12A C13A C14A -178.20(17) . . . . ?
C12A C13A C14A C15A -0.7(3) . . . . ?
C13A C14A C15A C16A 0.3(2) . . . . ?
C14A C15A C16A C11A 0.4(2) . . . . ?
C14A C15A C16A C20A 178.63(14) . . . . ?
C12A C11A C16A C15A -0.7(2) . . . . ?
N1A C11A C16A C15A 177.83(12) . . . . ?
C12A C11A C16A C20A -178.85(14) . . . . ?
N1A C11A C16A C20A -0.4(2) . . . . ?
C13A C12A C17A C18A 64.8(3) . . . . ?
C11A C12A C17A C18A -113.8(2) . . . . ?
C13A C12A C17A C19A -57.7(3) . . . . ?
C11A C12A C17A C19A 123.8(2) . . . . ?
C15A C16A C20A C21A 44.0(2) . . . . ?
C11A C16A C20A C21A -137.90(16) . . . . ?
C15A C16A C20A C22A -80.76(19) . . . . ?
C11A C16A C20A C22A 97.36(18) . . . . ?
C1A N2A C31A C36A -100.15(16) . . . . ?
C3A N2A C31A C36A 77.77(17) . . . . ?
C1A N2A C31A C32A 80.80(17) . . . . ?
C3A N2A C31A C32A -101.28(15) . . . . ?
C36A C31A C32A C33A -1.9(2) . . . . ?
N2A C31A C32A C33A 177.13(12) . . . . ?
C36A C31A C32A C37A 177.94(13) . . . . ?
N2A C31A C32A C37A -3.07(18) . . . . ?
C31A C32A C33A C34A 0.5(2) . . . . ?
C37A C32A C33A C34A -179.31(13) . . . . ?
C32A C33A C34A C35A 1.1(2) . . . . ?
C33A C34A C35A C36A -1.5(2) . . . . ?
C32A C31A C36A C35A 1.5(2) . . . . ?
N2A C31A C36A C35A -177.48(12) . . . . ?
C32A C31A C36A C40A -176.30(13) . . . . ?
N2A C31A C36A C40A 4.7(2) . . . . ?
C34A C35A C36A C31A 0.2(2) . . . . ?
C34A C35A C36A C40A 178.08(14) . . . . ?
C33A C32A C37A C38A 27.04(19) . . . . ?
C31A C32A C37A C38A -152.74(13) . . . . ?
C33A C32A C37A C39A -98.11(16) . . . . ?
C31A C32A C37A C39A 82.11(17) . . . . ?
C31A C36A C40A C41A -125.92(15) . . . . ?
C35A C36A C40A C41A 56.35(19) . . . . ?
C31A C36A C40A C42A 110.26(17) . . . . ?
C35A C36A C40A C42A -67.47(19) . . . . ?
C2B N1B C1B N2B -1.03(16) . . . . ?
C11B N1B C1B N2B 179.23(12) . . . . ?
C2B N1B C1B Ge1B 178.17(10) . . . . ?
C11B N1B C1B Ge1B -1.6(2) . . . . ?
C3B N2B C1B N1B 1.00(16) . . . . ?
C31B N2B C1B N1B 174.87(13) . . . . ?
C3B N2B C1B Ge1B -178.19(11) . . . . ?
C31B N2B C1B Ge1B -4.3(2) . . . . ?
H1D Ge1B C1B N1B -48.8(7) . . . . ?
H2D Ge1B C1B N1B -152.4(7) . . . . ?
B1B Ge1B C1B N1B 79.39(15) . . . . ?
H1D Ge1B C1B N2B 130.2(7) . . . . ?
H2D Ge1B C1B N2B 26.6(7) . . . . ?
B1B Ge1B C1B N2B -101.59(15) . . . . ?
C1B N1B C2B C3B 0.68(17) . . . . ?
C11B N1B C2B C3B -179.57(14) . . . . ?
N1B C2B C3B N2B -0.04(17) . . . . ?
C1B N2B C3B C2B -0.61(18) . . . . ?
C31B N2B C3B C2B -174.70(14) . . . . ?
C1B N1B C11B C12B -90.50(17) . . . . ?
C2B N1B C11B C12B 89.79(17) . . . . ?
C1B N1B C11B C16B 90.14(16) . . . . ?
C2B N1B C11B C16B -89.58(17) . . . . ?
C16B C11B C12B C13B 1.8(2) . . . . ?
N1B C11B C12B C13B -177.55(12) . . . . ?
C16B C11B C12B C17B -178.40(13) . . . . ?
N1B C11B C12B C17B 2.3(2) . . . . ?
C11B C12B C13B C14B -1.3(2) . . . . ?
C17B C12B C13B C14B 178.91(14) . . . . ?
C12B C13B C14B C15B -0.2(2) . . . . ?
C13B C14B C15B C16B 1.3(2) . . . . ?
C14B C15B C16B C11B -0.8(2) . . . . ?
C14B C15B C16B C20B 177.94(14) . . . . ?
C12B C11B C16B C15B -0.7(2) . . . . ?
N1B C11B C16B C15B 178.57(12) . . . . ?
C12B C11B C16B C20B -179.49(13) . . . . ?
N1B C11B C16B C20B -0.2(2) . . . . ?
C13B C12B C17B C18B 87.13(18) . . . . ?
C11B C12B C17B C18B -92.68(18) . . . . ?
C13B C12B C17B C19B -36.4(2) . . . . ?
C11B C12B C17B C19B 143.74(15) . . . . ?
C15B C16B C20B C21B 44.1(2) . . . . ?
C11B C16B C20B C21B -137.20(15) . . . . ?
C15B C16B C20B C22B -80.08(18) . . . . ?
C11B C16B C20B C22B 98.61(17) . . . . ?
C1B N2B C31B C36B -97.69(17) . . . . ?
C3B N2B C31B C36B 75.43(18) . . . . ?
C1B N2B C31B C32B 84.00(18) . . . . ?
C3B N2B C31B C32B -102.88(17) . . . . ?
C36B C31B C32B C33B -1.8(2) . . . . ?
N2B C31B C32B C33B 176.38(13) . . . . ?
C36B C31B C32B C37B 178.17(14) . . . . ?
N2B C31B C32B C37B -3.6(2) . . . . ?
C31B C32B C33B C34B -0.3(2) . . . . ?
C37B C32B C33B C34B 179.70(16) . . . . ?
C32B C33B C34B C35B 2.0(3) . . . . ?
C33B C34B C35B C36B -1.7(3) . . . . ?
C32B C31B C36B C35B 2.1(2) . . . . ?
N2B C31B C36B C35B -176.09(13) . . . . ?
C32B C31B C36B C40B -175.03(15) . . . . ?
N2B C31B C36B C40B 6.8(2) . . . . ?
C34B C35B C36B C31B -0.3(2) . . . . ?
C34B C35B C36B C40B 176.92(16) . . . . ?
C33B C32B C37B C38B 29.6(2) . . . . ?
C31B C32B C37B C38B -150.34(16) . . . . ?
C33B C32B C37B C39B -94.6(2) . . . . ?
C31B C32B C37B C39B 85.47(19) . . . . ?
C31B C36B C40B C42B 101.29(19) . . . . ?
C35B C36B C40B C42B -75.8(2) . . . . ?
C31B C36B C40B C41B -135.80(17) . . . . ?
C35B C36B C40B C41B 47.1(2) . . . . ?
C16S C11S C12S C13S 0.4(3) . . . . ?
C10S C11S C12S C13S -179.15(18) . . . . ?
C11S C12S C13S C14S 0.6(3) . . . . ?
C12S C13S C14S C15S -1.3(3) . . . . ?
C13S C14S C15S C16S 1.0(3) . . . . ?
C14S C15S C16S C11S 0.1(3) . . . . ?
C12S C11S C16S C15S -0.7(3) . . . . ?
C10S C11S C16S C15S 178.81(18) . . . . ?
C26S C21S C22S C23S -0.3(4) . . . . ?
C20S C21S C22S C23S 178.9(3) . . . . ?
C21S C22S C23S C24S 0.4(4) . . . . ?
C22S C23S C24S C25S -0.9(5) . . . . ?
C23S C24S C25S C26S 1.1(5) . . . . ?
C22S C21S C26S C25S 0.6(4) . . . . ?
C20S C21S C26S C25S -178.7(3) . . . . ?
C24S C25S C26S C21S -1.0(4) . . . . ?
