#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:47:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179306 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/03/4320367.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_4320367
loop_
_publ_author_name
'Matthias Stender'
'Andrew D. Phillips'
'Philip P. Power'
_publ_section_title
;
 Characterization and Bonding of the Cation
 [Ge{N(C6H3-2,6-i-Pr2)CMe}2CH]+: Comparison with the Isoelectronic
 Ga{N(C6H3-2,6-i-Pr2)CMe}2CH
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5314
_journal_page_last               5315
_journal_paper_doi               10.1021/ic0155582
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C65 H42 B2 F30 Ge N2 O'
_chemical_formula_weight         1531.22
_chemical_name_common            '[NacNacGe][OH{B(C6F5)3}2]'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.7360(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.2586(7)
_cell_length_b                   17.5332(6)
_cell_length_c                   18.5394(6)
_cell_measurement_reflns_used    5918
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      28.87
_cell_measurement_theta_min      2.32
_cell_volume                     6198.3(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL v. 5.10'
_computing_molecular_graphics    'XP, Bruker SHELXTL v. 5.10'
_computing_publication_material  'XCIF, Bruker SHELXTL v. 5.10'
_computing_structure_refinement  'XL, Bruker SHELXTL v. 5.10'
_computing_structure_solution    'XS, Bruker SHELXTL v. 5.10'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       /w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1220
_diffrn_reflns_av_sigmaI/netI    0.1378
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            85609
_diffrn_reflns_theta_full        31.52
_diffrn_reflns_theta_max         31.52
_diffrn_reflns_theta_min         1.73
_diffrn_standards_decay_%        <0.01
_diffrn_standards_number         '50 frames remeasured'
_exptl_absorpt_coefficient_mu    0.631
_exptl_absorpt_correction_T_max  0.8885
_exptl_absorpt_correction_T_min  0.8828
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;SADABS: an empirical absorption program by G. M. Sheldrick
using the method described by Blessing, R. H.; Acta Cryst.
A51, 1995, 33.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3064
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.877
_refine_diff_density_min         -1.087
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     924
_refine_ls_number_reflns         19890
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.1470
_refine_ls_R_factor_gt           0.0561
_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)+(0.0072P)²+4.2674P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1341
_reflns_number_gt                10167
_reflns_number_total             19890
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0155582.cif
_cod_data_source_block           mas62m
_cod_database_code               4320367
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 1.282939(17) 0.486515(19) -0.008865(18) 0.02081(8) Uani 1 1 d . . .
N1 N 1.31984(12) 0.52845(13) 0.09090(13) 0.0189(5) Uani 1 1 d . . .
N2 N 1.20095(13) 0.54730(14) -0.03474(13) 0.0198(5) Uani 1 1 d . . .
C1 C 1.29136(15) 0.58232(16) 0.12340(16) 0.0176(6) Uani 1 1 d . . .
C2 C 1.22735(15) 0.61594(17) 0.08328(16) 0.0205(6) Uani 1 1 d . . .
H2A H 1.2116 0.6545 0.1096 0.025 Uiso 1 1 calc R . .
C3 C 1.18361(16) 0.59955(17) 0.00896(17) 0.0207(6) Uani 1 1 d . . .
C4 C 1.32930(16) 0.60371(17) 0.20493(16) 0.0215(6) Uani 1 1 d . . .
H4A H 1.3764 0.6220 0.2102 0.032 Uiso 1 1 calc R . .
H4B H 1.3330 0.5590 0.2378 0.032 Uiso 1 1 calc R . .
H4C H 1.3034 0.6441 0.2203 0.032 Uiso 1 1 calc R . .
C5 C 1.11517(16) 0.64075(19) -0.02289(18) 0.0280(7) Uani 1 1 d . . .
H5A H 1.1142 0.6692 -0.0687 0.042 Uiso 1 1 calc R . .
H5B H 1.1099 0.6762 0.0156 0.042 Uiso 1 1 calc R . .
H5C H 1.0766 0.6038 -0.0364 0.042 Uiso 1 1 calc R . .
C6 C 1.38690(15) 0.49293(16) 0.13290(16) 0.0189(6) Uani 1 1 d . . .
C7 C 1.38688(17) 0.42489(17) 0.17330(17) 0.0223(6) Uani 1 1 d . . .
C8 C 1.45050(17) 0.38704(18) 0.20387(17) 0.0258(7) Uani 1 1 d . . .
H8A H 1.4526 0.3409 0.2314 0.031 Uiso 1 1 calc R . .
C9 C 1.51101(17) 0.41581(19) 0.19462(17) 0.0285(7) Uani 1 1 d . . .
H9A H 1.5537 0.3881 0.2140 0.034 Uiso 1 1 calc R . .
C10 C 1.50977(16) 0.48380(19) 0.15781(17) 0.0250(7) Uani 1 1 d . . .
H10A H 1.5521 0.5034 0.1537 0.030 Uiso 1 1 calc R . .
C11 C 1.44829(15) 0.52453(17) 0.12654(16) 0.0204(6) Uani 1 1 d . . .
C12 C 1.44731(16) 0.59970(17) 0.08486(17) 0.0229(6) Uani 1 1 d . . .
H12A H 1.4053 0.6293 0.0857 0.028 Uiso 1 1 calc R . .
C13 C 1.51239(17) 0.64833(19) 0.1236(2) 0.0301(7) Uani 1 1 d . . .
H13A H 1.5185 0.6545 0.1780 0.045 Uiso 1 1 calc R . .
H13B H 1.5066 0.6986 0.0991 0.045 Uiso 1 1 calc R . .
H13C H 1.5538 0.6231 0.1186 0.045 Uiso 1 1 calc R . .
C14 C 1.43982(17) 0.58545(18) 0.00093(17) 0.0265(7) Uani 1 1 d . . .
H14A H 1.4004 0.5508 -0.0223 0.040 Uiso 1 1 calc R . .
H14B H 1.4830 0.5625 -0.0017 0.040 Uiso 1 1 calc R . .
H14C H 1.4313 0.6340 -0.0270 0.040 Uiso 1 1 calc R . .
C15 C 1.32011(18) 0.39315(18) 0.18226(18) 0.0280(7) Uani 1 1 d . . .
H15A H 1.2862 0.4363 0.1750 0.034 Uiso 1 1 calc R . .
C16 C 1.3318(2) 0.3589(2) 0.2614(2) 0.0375(9) Uani 1 1 d . . .
H16A H 1.3585 0.3948 0.3010 0.056 Uiso 1 1 calc R . .
H16B H 1.3579 0.3110 0.2666 0.056 Uiso 1 1 calc R . .
H16C H 1.2863 0.3488 0.2674 0.056 Uiso 1 1 calc R . .
C17 C 1.28649(19) 0.33376(19) 0.1202(2) 0.0351(8) Uani 1 1 d . . .
H17A H 1.2828 0.3546 0.0699 0.053 Uiso 1 1 calc R . .
H17B H 1.2396 0.3210 0.1208 0.053 Uiso 1 1 calc R . .
H17C H 1.3155 0.2877 0.1301 0.053 Uiso 1 1 calc R . .
C18 C 1.15331(15) 0.52943(17) -0.11197(16) 0.0212(6) Uani 1 1 d . . .
C19 C 1.11075(17) 0.46436(18) -0.12253(17) 0.0244(7) Uani 1 1 d . . .
C20 C 1.07057(18) 0.44460(19) -0.19733(18) 0.0301(7) Uani 1 1 d . . .
H20A H 1.0414 0.4007 -0.2060 0.036 Uiso 1 1 calc R . .
C21 C 1.07238(19) 0.4873(2) -0.25868(18) 0.0345(8) Uani 1 1 d . . .
H21A H 1.0447 0.4729 -0.3092 0.041 Uiso 1 1 calc R . .
C22 C 1.11470(18) 0.55181(19) -0.24681(18) 0.0306(8) Uani 1 1 d . . .
H22A H 1.1156 0.5809 -0.2897 0.037 Uiso 1 1 calc R . .
C23 C 1.15543(16) 0.57456(17) -0.17397(17) 0.0240(7) Uani 1 1 d . . .
C24 C 1.20305(17) 0.64384(17) -0.16302(17) 0.0247(7) Uani 1 1 d . . .
H24A H 1.2135 0.6627 -0.1094 0.030 Uiso 1 1 calc R . .
C25 C 1.27234(17) 0.62140(18) -0.17263(19) 0.0282(7) Uani 1 1 d . . .
H25A H 1.2953 0.5819 -0.1351 0.042 Uiso 1 1 calc R . .
H25B H 1.3029 0.6662 -0.1644 0.042 Uiso 1 1 calc R . .
H25C H 1.2634 0.6016 -0.2245 0.042 Uiso 1 1 calc R . .
C26 C 1.16886(18) 0.70912(18) -0.21767(19) 0.0319(8) Uani 1 1 d . . .
H26A H 1.1228 0.7205 -0.2138 0.048 Uiso 1 1 calc R . .
H26B H 1.1632 0.6941 -0.2703 0.048 Uiso 1 1 calc R . .
H26C H 1.1987 0.7545 -0.2039 0.048 Uiso 1 1 calc R . .
C27 C 1.10621(17) 0.41470(18) -0.05652(18) 0.0267(7) Uani 1 1 d . . .
H27A H 1.1372 0.4378 -0.0074 0.032 Uiso 1 1 calc R . .
C28 C 1.13254(19) 0.33337(19) -0.0617(2) 0.0333(8) Uani 1 1 d . . .
H28A H 1.1801 0.3356 -0.0641 0.050 Uiso 1 1 calc R . .
H28B H 1.1013 0.3084 -0.1079 0.050 Uiso 1 1 calc R . .
H28C H 1.1330 0.3043 -0.0164 0.050 Uiso 1 1 calc R . .
C29 C 1.03194(19) 0.4125(2) -0.0543(2) 0.0401(9) Uani 1 1 d . . .
H29A H 1.0167 0.4644 -0.0481 0.060 Uiso 1 1 calc R . .
H29B H 1.0308 0.3809 -0.0111 0.060 Uiso 1 1 calc R . .
H29C H 1.0004 0.3908 -0.1023 0.060 Uiso 1 1 calc R . .
O1 O 1.22204(11) 1.03960(12) -0.00645(11) 0.0178(4) Uani 1 1 d . . .
H1 H 1.199(2) 1.073(2) -0.016(2) 0.046(13) Uiso 1 1 d . . .
B1 B 1.28613(17) 1.05228(19) 0.06841(18) 0.0182(7) Uani 1 1 d . . .
B2 B 1.18998(17) 0.97836(19) -0.06948(18) 0.0184(7) Uani 1 1 d . . .
C30 C 1.33601(15) 1.11997(16) 0.05320(16) 0.0182(6) Uani 1 1 d . . .
C31 C 1.31964(15) 1.16840(16) -0.00931(16) 0.0195(6) Uani 1 1 d . . .
F31 F 1.26026(9) 1.15935(10) -0.07058(9) 0.0254(4) Uani 1 1 d . . .
F32 F 1.34107(10) 1.27566(10) -0.07617(10) 0.0317(4) Uani 1 1 d . . .
C32 C 1.36068(16) 1.23029(16) -0.01397(17) 0.0216(6) Uani 1 1 d . . .
F33 F 1.45921(9) 1.30780(10) 0.04299(10) 0.0284(4) Uani 1 1 d . . .
C33 C 1.42048(15) 1.24671(17) 0.04609(17) 0.0208(6) Uani 1 1 d . . .
F34 F 1.49798(9) 1.21535(10) 0.16968(10) 0.0257(4) Uani 1 1 d . . .
C34 C 1.43966(15) 1.20058(17) 0.11020(17) 0.0212(6) Uani 1 1 d . . .
F35 F 1.41770(9) 1.09723(9) 0.17689(9) 0.0237(4) Uani 1 1 d . . .
C35 C 1.39719(16) 1.13969(16) 0.11204(16) 0.0205(6) Uani 1 1 d . . .
C36 C 1.32402(15) 0.96976(16) 0.09373(16) 0.0188(6) Uani 1 1 d . . .
F37 F 1.22710(9) 0.92578(9) 0.12704(9) 0.0226(4) Uani 1 1 d . . .
C37 C 1.29139(15) 0.91280(17) 0.12178(16) 0.0192(6) Uani 1 1 d . . .
C38 C 1.31993(17) 0.84189(17) 0.14599(16) 0.0221(6) Uani 1 1 d . . .
F38 F 1.28475(10) 0.78956(10) 0.17199(10) 0.0285(4) Uani 1 1 d . . .
F39 F 1.41381(10) 0.75647(10) 0.16631(11) 0.0328(4) Uani 1 1 d . . .
C39 C 1.38476(17) 0.82477(17) 0.14207(16) 0.0237(7) Uani 1 1 d . . .
F40 F 1.48207(9) 0.86069(10) 0.10786(10) 0.0300(4) Uani 1 1 d . . .
C40 C 1.41969(16) 0.87785(18) 0.11420(17) 0.0230(6) Uani 1 1 d . . .
F41 F 1.42573(9) 0.99578(10) 0.06122(10) 0.0244(4) Uani 1 1 d . . .
C41 C 1.38923(15) 0.94812(17) 0.09043(16) 0.0196(6) Uani 1 1 d . . .
C42 C 1.25710(14) 1.08908(16) 0.13448(16) 0.0172(6) Uani 1 1 d . . .
F43 F 1.18648(9) 1.17543(9) 0.04266(9) 0.0231(4) Uani 1 1 d . . .
C43 C 1.21058(15) 1.15027(17) 0.11626(16) 0.0191(6) Uani 1 1 d . . .
F44 F 1.14321(9) 1.24849(10) 0.14556(10) 0.0306(4) Uani 1 1 d . . .
C44 C 1.18751(15) 1.18885(17) 0.16789(18) 0.0226(6) Uani 1 1 d . . .
F45 F 1.19034(11) 1.20496(11) 0.29518(11) 0.0373(5) Uani 1 1 d . . .
C45 C 1.21159(17) 1.16755(18) 0.24379(18) 0.0269(7) Uani 1 1 d . . .
F46 F 1.28376(11) 1.08713(11) 0.33936(10) 0.0377(5) Uani 1 1 d . . .
C46 C 1.25880(18) 1.10875(18) 0.26542(17) 0.0265(7) Uani 1 1 d . . .
F47 F 1.32835(9) 1.01564(10) 0.24063(9) 0.0254(4) Uani 1 1 d . . .
C47 C 1.28067(16) 1.07135(16) 0.21221(16) 0.0210(6) Uani 1 1 d . . .
C48 C 1.12321(15) 0.93734(16) -0.05414(16) 0.0181(6) Uani 1 1 d . . .
F49 F 1.11868(8) 1.01517(9) 0.05013(9) 0.0211(4) Uani 1 1 d . . .
C49 C 1.09569(15) 0.95468(16) 0.00315(16) 0.0180(6) Uani 1 1 d . . .
F50 F 1.02059(9) 0.93095(10) 0.07451(9) 0.0257(4) Uani 1 1 d . . .
C50 C 1.04270(15) 0.91290(17) 0.01579(16) 0.0207(6) Uani 1 1 d . . .
F51 F 0.96178(10) 0.81164(11) -0.01818(11) 0.0344(5) Uani 1 1 d . . .
C51 C 1.01246(15) 0.85288(18) -0.03081(17) 0.0231(6) Uani 1 1 d . . .
F52 F 1.00535(10) 0.77884(11) -0.13968(11) 0.0352(5) Uani 1 1 d . . .
C52 C 1.03481(16) 0.83618(17) -0.09187(18) 0.0233(6) Uani 1 1 d . . .
F53 F 1.10928(9) 0.85834(10) -0.16136(10) 0.0266(4) Uani 1 1 d . . .
C53 C 1.08819(15) 0.87852(17) -0.10174(17) 0.0212(6) Uani 1 1 d . . .
C54 C 1.15636(15) 1.02276(16) -0.15304(16) 0.0192(6) Uani 1 1 d . . .
F55 F 1.19709(9) 0.93671(10) -0.22885(10) 0.0284(4) Uani 1 1 d . . .
C55 C 1.15911(15) 0.99856(17) -0.22337(17) 0.0213(6) Uani 1 1 d . . .
F56 F 1.12979(10) 1.00729(11) -0.35821(9) 0.0323(4) Uani 1 1 d . . .
C56 C 1.12410(16) 1.03391(18) -0.29198(16) 0.0236(7) Uani 1 1 d . . .
F57 F 1.04641(10) 1.12900(10) -0.36111(10) 0.0306(4) Uani 1 1 d . . .
C57 C 1.08222(16) 1.09618(18) -0.29420(17) 0.0240(7) Uani 1 1 d . . .
F58 F 1.03637(10) 1.18351(10) -0.22662(10) 0.0302(4) Uani 1 1 d . . .
C58 C 1.07735(16) 1.12332(17) -0.22630(17) 0.0215(6) Uani 1 1 d . . .
F59 F 1.10607(9) 1.11524(9) -0.09449(9) 0.0226(4) Uani 1 1 d . . .
C59 C 1.11381(15) 1.08635(16) -0.15928(16) 0.0193(6) Uani 1 1 d . . .
C60 C 1.25334(15) 0.92024(16) -0.06841(15) 0.0179(6) Uani 1 1 d . . .
F61 F 1.30818(9) 1.01914(10) -0.11408(10) 0.0257(4) Uani 1 1 d . . .
C61 C 1.30826(15) 0.94599(17) -0.09115(16) 0.0203(6) Uani 1 1 d . . .
F62 F 1.41576(9) 0.93157(11) -0.11422(10) 0.0305(4) Uani 1 1 d . . .
C62 C 1.36493(16) 0.90229(18) -0.09154(16) 0.0227(6) Uani 1 1 d . . .
F63 F 1.42344(9) 0.78376(11) -0.06559(11) 0.0322(4) Uani 1 1 d . . .
C63 C 1.36851(16) 0.82747(19) -0.06770(17) 0.0241(7) Uani 1 1 d . . .
F64 F 1.32158(9) 0.72714(9) -0.01601(10) 0.0265(4) Uani 1 1 d . . .
C64 C 1.31619(16) 0.79892(17) -0.04419(16) 0.0203(6) Uani 1 1 d . . .
F65 F 1.21347(9) 0.81074(9) -0.01790(9) 0.0225(4) Uani 1 1 d . . .
C65 C 1.26047(15) 0.84452(17) -0.04495(15) 0.0181(6) 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'
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'
F F 0.0171 0.0103 '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'
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
N2 Ge1 N1 92.99(10) . . ?
C1 N1 C6 121.5(2) . . ?
C1 N1 Ge1 128.3(2) . . ?
C6 N1 Ge1 110.19(17) . . ?
C3 N2 C18 120.9(2) . . ?
C3 N2 Ge1 128.0(2) . . ?
C18 N2 Ge1 111.04(18) . . ?
N1 C1 C2 121.3(3) . . ?
N1 C1 C4 118.4(3) . . ?
C2 C1 C4 120.2(3) . . ?
C1 C2 C3 127.5(3) . . ?
N2 C3 C2 121.8(3) . . ?
N2 C3 C5 119.1(3) . . ?
C2 C3 C5 119.0(3) . . ?
C11 C6 C7 122.6(3) . . ?
C11 C6 N1 118.6(2) . . ?
C7 C6 N1 118.6(3) . . ?
C8 C7 C6 117.0(3) . . ?
C8 C7 C15 121.1(3) . . ?
C6 C7 C15 121.8(3) . . ?
C9 C8 C7 120.8(3) . . ?
C10 C9 C8 120.6(3) . . ?
C9 C10 C11 121.4(3) . . ?
C10 C11 C6 117.4(3) . . ?
C10 C11 C12 121.0(3) . . ?
C6 C11 C12 121.6(3) . . ?
C11 C12 C13 112.5(3) . . ?
C11 C12 C14 110.7(2) . . ?
C13 C12 C14 110.0(3) . . ?
C7 C15 C16 113.2(3) . . ?
C7 C15 C17 110.7(3) . . ?
C16 C15 C17 109.8(3) . . ?
C19 C18 C23 122.0(3) . . ?
C19 C18 N2 118.8(3) . . ?
C23 C18 N2 119.1(3) . . ?
C20 C19 C18 117.7(3) . . ?
C20 C19 C27 118.8(3) . . ?
C18 C19 C27 123.5(3) . . ?
C21 C20 C19 121.2(3) . . ?
C20 C21 C22 120.0(3) . . ?
C23 C22 C21 121.5(3) . . ?
C22 C23 C18 117.6(3) . . ?
C22 C23 C24 120.2(3) . . ?
C18 C23 C24 122.2(3) . . ?
C23 C24 C25 110.2(3) . . ?
C23 C24 C26 112.6(3) . . ?
C25 C24 C26 110.1(3) . . ?
C29 C27 C19 111.3(3) . . ?
C29 C27 C28 110.2(3) . . ?
C19 C27 C28 111.3(3) . . ?
B2 O1 B1 140.8(2) . . ?
O1 B1 C36 107.4(2) . . ?
O1 B1 C30 109.0(2) . . ?
C36 B1 C30 115.7(2) . . ?
O1 B1 C42 108.4(2) . . ?
C36 B1 C42 112.5(2) . . ?
C30 B1 C42 103.8(2) . . ?
O1 B2 C60 107.1(2) . . ?
O1 B2 C48 109.4(2) . . ?
C60 B2 C48 114.5(2) . . ?
O1 B2 C54 108.2(2) . . ?
C60 B2 C54 112.1(2) . . ?
C48 B2 C54 105.4(2) . . ?
C31 C30 C35 113.7(3) . . ?
C31 C30 B1 126.8(3) . . ?
C35 C30 B1 118.8(2) . . ?
F31 C31 C30 121.6(3) . . ?
F31 C31 C32 114.8(2) . . ?
C30 C31 C32 123.6(3) . . ?
F32 C32 C33 119.7(3) . . ?
F32 C32 C31 120.4(3) . . ?
C33 C32 C31 119.8(3) . . ?
F33 C33 C32 120.2(3) . . ?
F33 C33 C34 120.4(3) . . ?
C32 C33 C34 119.4(3) . . ?
F34 C34 C35 120.9(3) . . ?
F34 C34 C33 120.6(3) . . ?
C35 C34 C33 118.6(3) . . ?
F35 C35 C34 116.1(3) . . ?
F35 C35 C30 119.0(3) . . ?
C34 C35 C30 124.9(3) . . ?
C37 C36 C41 113.4(3) . . ?
C37 C36 B1 120.5(3) . . ?
C41 C36 B1 126.1(3) . . ?
F37 C37 C38 115.7(3) . . ?
F37 C37 C36 119.7(3) . . ?
C38 C37 C36 124.6(3) . . ?
F38 C38 C39 120.1(3) . . ?
F38 C38 C37 121.0(3) . . ?
C39 C38 C37 118.9(3) . . ?
F39 C39 C40 120.5(3) . . ?
F39 C39 C38 119.7(3) . . ?
C40 C39 C38 119.7(3) . . ?
F40 C40 C39 120.1(3) . . ?
F40 C40 C41 120.3(3) . . ?
C39 C40 C41 119.6(3) . . ?
F41 C41 C40 115.8(3) . . ?
F41 C41 C36 120.4(3) . . ?
C40 C41 C36 123.8(3) . . ?
C47 C42 C43 113.0(3) . . ?
C47 C42 B1 126.5(3) . . ?
C43 C42 B1 120.0(2) . . ?
F43 C43 C44 116.6(3) . . ?
F43 C43 C42 118.6(2) . . ?
C44 C43 C42 124.8(3) . . ?
F44 C44 C45 119.6(3) . . ?
F44 C44 C43 121.0(3) . . ?
C45 C44 C43 119.4(3) . . ?
F45 C45 C46 121.3(3) . . ?
F45 C45 C44 120.3(3) . . ?
C46 C45 C44 118.3(3) . . ?
F46 C46 C45 119.7(3) . . ?
F46 C46 C47 119.7(3) . . ?
C45 C46 C47 120.7(3) . . ?
F47 C47 C46 115.2(3) . . ?
F47 C47 C42 121.1(3) . . ?
C46 C47 C42 123.7(3) . . ?
C53 C48 C49 113.4(3) . . ?
C53 C48 B2 119.4(2) . . ?
C49 C48 B2 127.2(3) . . ?
F49 C49 C50 115.1(2) . . ?
F49 C49 C48 121.6(2) . . ?
C50 C49 C48 123.2(3) . . ?
F50 C50 C51 119.4(3) . . ?
F50 C50 C49 120.1(3) . . ?
C51 C50 C49 120.5(3) . . ?
F51 C51 C50 120.7(3) . . ?
F51 C51 C52 120.7(3) . . ?
C50 C51 C52 118.6(3) . . ?
F52 C52 C53 120.8(3) . . ?
F52 C52 C51 120.3(3) . . ?
C53 C52 C51 118.9(3) . . ?
F53 C53 C52 116.4(3) . . ?
F53 C53 C48 118.5(3) . . ?
C52 C53 C48 125.0(3) . . ?
C55 C54 C59 112.8(3) . . ?
C55 C54 B2 126.7(3) . . ?
C59 C54 B2 120.1(2) . . ?
F55 C55 C56 114.8(2) . . ?
F55 C55 C54 121.3(3) . . ?
C56 C55 C54 123.9(3) . . ?
F56 C56 C57 119.2(3) . . ?
F56 C56 C55 120.5(3) . . ?
C57 C56 C55 120.3(3) . . ?
F57 C57 C56 120.4(3) . . ?
F57 C57 C58 121.0(3) . . ?
C56 C57 C58 118.7(3) . . ?
F58 C58 C59 121.2(3) . . ?
F58 C58 C57 120.1(3) . . ?
C59 C58 C57 118.7(3) . . ?
F59 C59 C58 115.8(3) . . ?
F59 C59 C54 118.6(3) . . ?
C58 C59 C54 125.6(3) . . ?
C65 C60 C61 113.3(3) . . ?
C65 C60 B2 126.7(3) . . ?
C61 C60 B2 119.9(3) . . ?
F61 C61 C62 115.9(3) . . ?
F61 C61 C60 119.2(3) . . ?
C62 C61 C60 124.9(3) . . ?
F62 C62 C63 120.2(3) . . ?
F62 C62 C61 121.2(3) . . ?
C63 C62 C61 118.7(3) . . ?
F63 C63 C64 120.4(3) . . ?
F63 C63 C62 120.4(3) . . ?
C64 C63 C62 119.2(3) . . ?
F64 C64 C63 119.5(3) . . ?
F64 C64 C65 120.1(3) . . ?
C63 C64 C65 120.2(3) . . ?
F65 C65 C64 114.7(2) . . ?
F65 C65 C60 121.5(2) . . ?
C64 C65 C60 123.7(3) . . ?
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 N2 1.894(2) . ?
Ge1 N1 1.894(2) . ?
N1 C1 1.350(4) . ?
N1 C6 1.458(4) . ?
N2 C3 1.346(4) . ?
N2 C18 1.465(4) . ?
C1 C2 1.390(4) . ?
C1 C4 1.494(4) . ?
C2 C3 1.393(4) . ?
C3 C5 1.497(4) . ?
C6 C11 1.402(4) . ?
C6 C7 1.409(4) . ?
C7 C8 1.389(4) . ?
C7 C15 1.523(4) . ?
C8 C9 1.389(4) . ?
C9 C10 1.370(4) . ?
C10 C11 1.382(4) . ?
C11 C12 1.524(4) . ?
C12 C13 1.530(4) . ?
C12 C14 1.532(4) . ?
C15 C16 1.529(4) . ?
C15 C17 1.531(5) . ?
C18 C19 1.403(4) . ?
C18 C23 1.408(4) . ?
C19 C20 1.394(4) . ?
C19 C27 1.530(4) . ?
C20 C21 1.373(4) . ?
C21 C22 1.391(5) . ?
C22 C23 1.382(4) . ?
C23 C24 1.521(4) . ?
C24 C25 1.525(4) . ?
C24 C26 1.531(4) . ?
C27 C29 1.519(5) . ?
C27 C28 1.537(5) . ?
O1 B2 1.558(4) . ?
O1 B1 1.563(4) . ?
B1 C36 1.631(4) . ?
B1 C30 1.644(4) . ?
B1 C42 1.658(4) . ?
B2 C60 1.634(4) . ?
B2 C48 1.639(4) . ?
B2 C54 1.660(4) . ?
C30 C31 1.384(4) . ?
C30 C35 1.390(4) . ?
C31 F31 1.356(3) . ?
C31 C32 1.387(4) . ?
F32 C32 1.346(3) . ?
C32 C33 1.371(4) . ?
F33 C33 1.340(3) . ?
C33 C34 1.380(4) . ?
F34 C34 1.341(3) . ?
C34 C35 1.379(4) . ?
F35 C35 1.354(3) . ?
C36 C37 1.392(4) . ?
C36 C41 1.396(4) . ?
F37 C37 1.358(3) . ?
C37 C38 1.381(4) . ?
C38 F38 1.347(3) . ?
C38 C39 1.373(4) . ?
F39 C39 1.343(3) . ?
C39 C40 1.371(4) . ?
F40 C40 1.342(3) . ?
C40 C41 1.382(4) . ?
F41 C41 1.345(3) . ?
C42 C47 1.391(4) . ?
C42 C43 1.392(4) . ?
F43 C43 1.358(3) . ?
C43 C44 1.376(4) . ?
F44 C44 1.349(3) . ?
C44 C45 1.376(4) . ?
F45 C45 1.342(3) . ?
C45 C46 1.371(5) . ?
F46 C46 1.345(3) . ?
C46 C47 1.376(4) . ?
F47 C47 1.349(3) . ?
C48 C53 1.387(4) . ?
C48 C49 1.390(4) . ?
F49 C49 1.351(3) . ?
C49 C50 1.383(4) . ?
F50 C50 1.347(3) . ?
C50 C51 1.368(4) . ?
F51 C51 1.339(3) . ?
C51 C52 1.385(4) . ?
F52 C52 1.340(3) . ?
C52 C53 1.374(4) . ?
F53 C53 1.360(3) . ?
C54 C55 1.390(4) . ?
C54 C59 1.390(4) . ?
F55 C55 1.353(3) . ?
C55 C56 1.377(4) . ?
F56 C56 1.354(3) . ?
C56 C57 1.375(4) . ?
F57 C57 1.337(3) . ?
C57 C58 1.380(4) . ?
F58 C58 1.341(3) . ?
C58 C59 1.375(4) . ?
F59 C59 1.361(3) . ?
C60 C65 1.389(4) . ?
C60 C61 1.392(4) . ?
F61 C61 1.351(3) . ?
C61 C62 1.382(4) . ?
F62 C62 1.339(3) . ?
C62 C63 1.378(4) . ?
F63 C63 1.341(3) . ?
C63 C64 1.370(4) . ?
F64 C64 1.353(3) . ?
C64 C65 1.380(4) . ?
F65 C65 1.353(3) . ?
