#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:12:01 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179561 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/30/4503013.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_4503013
loop_
_publ_author_name
'Inge, A. Ken'
'Peskov, Maxim V.'
'Sun, Junliang'
'Zou, Xiaodong'
_publ_section_title
;
 SU-62: Synthesis and Structure Investigation of a Germanate with a Novel
 Three-Dimensional Net and Interconnected 10- and 14-Ring Channels
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              369
_journal_paper_doi               10.1021/cg201482n
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C16 H62 Ge20 N8 O50'
_chemical_formula_weight         2618.54
_chemical_name_common            SU-62
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.297(3)
_cell_length_b                   53.580(11)
_cell_length_c                   14.422(3)
_cell_measurement_reflns_used    28261
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.11
_cell_measurement_theta_min      1.90
_cell_volume                     11820(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 12.613
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  MarDTB
_diffrn_measurement_method       'profile data'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.90770
_diffrn_reflns_av_R_equivalents  0.0640
_diffrn_reflns_av_sigmaI/netI    0.0553
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       64
_diffrn_reflns_limit_k_min       -63
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            32695
_diffrn_reflns_theta_full        32.95
_diffrn_reflns_theta_max         32.95
_diffrn_reflns_theta_min         3.74
_diffrn_standards_decay_%
;
;
_diffrn_standards_interval_count
;
;
_diffrn_standards_interval_time
;
;
_diffrn_standards_number
;
;
_exptl_absorpt_coefficient_mu    19.054
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5769
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.943
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       square-prism
_exptl_crystal_F_000             10032
_exptl_crystal_size_max          0.037
_exptl_crystal_size_mid          0.037
_exptl_crystal_size_min          0.022
_refine_diff_density_max         1.237
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.146
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.007(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         5275
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0267
_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)+(0.0187P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0632
_refine_ls_wR_factor_ref         0.0634
_reflns_number_gt                5101
_reflns_number_total             5275
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg201482n_si_008.cif
_cod_data_source_block           su62
_cod_original_cell_volume        11821(4)
_cod_database_code               4503013
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
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 0.35399(4) 0.073755(10) 0.36141(4) 0.00159(12) Uani 1 1 d .
Ge2 Ge 0.37047(4) 0.046537(10) 0.18116(4) 0.00124(12) Uani 1 1 d .
Ge3 Ge 0.20908(4) 0.075267(11) 0.22355(4) 0.00169(12) Uani 1 1 d .
Ge4 Ge 0.37638(4) 0.101138(11) 0.18444(4) 0.00155(12) Uani 1 1 d .
Ge5 Ge 0.19411(4) 0.020968(11) 0.15897(4) 0.00302(9) Uani 1 1 d U
Ge6 Ge 0.20213(4) 0.125342(11) 0.11413(4) 0.00302(9) Uani 1 1 d .
Ge7 Ge 0.41930(4) 0.019662(11) 0.36303(4) 0.00291(12) Uani 1 1 d .
Ge8 Ge 0.48162(4) 0.073855(11) 0.02955(4) 0.00428(13) Uani 1 1 d U
Ge9 Ge 0.16673(4) 0.063553(11) 0.42714(4) 0.00452(13) Uani 1 1 d .
Ge10 Ge 0.21252(4) 0.006695(12) 0.37610(4) 0.00606(13) Uani 1 1 d U
O1 O 0.3146(2) 0.12532(7) 0.1251(3) 0.0044(5) Uani 1 1 d .
O2 O 0.2885(2) 0.09721(7) 0.2851(2) 0.0041(4) Uani 1 1 d .
O3 O 0.3050(2) 0.07410(7) 0.1334(3) 0.0041(4) Uani 1 1 d .
O4 O 0.3016(2) 0.02332(7) 0.1201(3) 0.0049(5) Uani 1 1 d .
O5 O 0.1603(3) 0.03063(7) 0.4367(3) 0.0086(8) Uani 1 1 d .
O6 O 0.2849(2) 0.04960(7) 0.2854(2) 0.0041(4) Uani 1 1 d .
O7 O 0.4266(3) 0.07291(7) 0.2508(2) 0.0041(4) Uani 1 1 d .
O8 O 0.4603(3) 0.10038(7) 0.0931(3) 0.0055(8) Uani 1 1 d .
O9 O 0.4224(2) 0.04891(7) 0.4142(2) 0.0042(7) Uani 1 1 d .
O10 O 0.5000 0.0000 0.4080(4) 0.0093(12) Uani 1 2 d S
O11 O 0.4153(3) 0.09807(7) 0.4206(3) 0.0064(8) Uani 1 1 d .
O12 O 0.1304(3) 0.07508(8) 0.3210(3) 0.0073(8) Uani 1 1 d .
O13 O 0.1850(2) 0.12495(7) -0.0033(2) 0.0044(5) Uani 1 1 d .
O14 O 0.1491(3) 0.09956(7) 0.1635(3) 0.0074(8) Uani 1 1 d .
O15 O 0.1469(2) 0.05021(7) 0.1644(3) 0.0053(8) Uani 1 1 d .
O16 O 0.2704(3) 0.07377(7) 0.4548(3) 0.0055(8) Uani 1 1 d .
O17 O 0.4286(2) 0.02125(7) 0.2431(2) 0.0049(5) Uani 1 1 d .
O18 O 0.4528(3) 0.04657(8) 0.0884(3) 0.0064(8) Uani 1 1 d .
O19 O 0.1645(3) -0.02009(8) 0.4242(3) 0.0108(7) Uani 1 1 d DU
H19 H 0.186(5) -0.0217(17) 0.481(3) 0.04(3) Uiso 1 1 d D
O20 O 0.3243(3) 0.00353(8) 0.3992(3) 0.0078(8) Uani 1 1 d .
O21 O 0.1822(3) 0.00327(8) 0.2615(3) 0.0095(8) Uani 1 1 d .
O22 O 0.1319(3) 0.00230(9) 0.0849(3) 0.0142(6) Uani 1 1 d DU
H22 H 0.144(6) 0.0029(18) 0.026(2) 0.04(3) Uiso 1 1 d D
O23 O 0.0957(3) 0.07315(8) 0.5146(3) 0.0098(9) Uani 1 1 d .
O24 O 0.4320(3) 0.07559(8) -0.0794(3) 0.0142(6) Uani 1 1 d DU
H24 H 0.394(5) 0.0881(12) -0.092(6) 0.04(3) Uiso 1 1 d D
N1 N 0.59470(12) 0.07742(4) 0.47109(12) 0.0121(11) Uani 1 1 d .
HN1A H 0.5553 0.0759 0.4260 0.018 Uiso 1 1 calc R
HN1B H 0.6050 0.0935 0.4817 0.018 Uiso 1 1 calc R
HN1C H 0.5743 0.0703 0.5225 0.018 Uiso 1 1 calc R
C1 C 0.67745(12) 0.06488(4) 0.44275(12) 0.0127(12) Uani 1 1 d R
H1A H 0.6759 0.0477 0.4635 0.015 Uiso 1 1 calc R
H1B H 0.7261 0.0730 0.4736 0.015 Uiso 1 1 calc R
C2 C 0.69311(12) 0.06531(4) 0.33971(12) 0.0147(13) Uani 1 1 d R
H2A H 0.7515 0.0590 0.3276 0.018 Uiso 1 1 calc R
H2B H 0.6911 0.0825 0.3186 0.018 Uiso 1 1 calc R
C3 C 0.62839(12) 0.05017(4) 0.28337(12) 0.0124(13) Uani 1 1 d R
H3A H 0.6111 0.0356 0.3186 0.015 Uiso 1 1 calc R
H3B H 0.5765 0.0601 0.2723 0.015 Uiso 1 1 calc R
C4 C 0.66628(12) 0.04199(4) 0.19163(12) 0.0126(13) Uani 1 1 d R
H4A H 0.6763 0.0565 0.1530 0.015 Uiso 1 1 calc R
H4B H 0.7222 0.0339 0.2022 0.015 Uiso 1 1 calc R
N2 N 0.60659(12) 0.02434(4) 0.14212(12) 0.0097(10) Uani 1 1 d R
HN2A H 0.5571 0.0227 0.1740 0.015 Uiso 1 1 calc R
HN2B H 0.6324 0.0095 0.1370 0.015 Uiso 1 1 calc R
HN2C H 0.5948 0.0303 0.0858 0.015 Uiso 1 1 calc R
N3 N 0.30589(12) 0.12121(4) -0.43309(12) 0.0276(14) Uani 1 1 d R
HN3A H 0.2513 0.1238 -0.4141 0.041 Uiso 1 1 calc R
HN3B H 0.3080 0.1074 -0.4671 0.041 Uiso 1 1 calc R
HN3C H 0.3235 0.1341 -0.4671 0.041 Uiso 1 1 calc R
C5 C 0.36481(12) 0.11843(4) -0.35033(12) 0.0333(19) Uani 1 1 d R
H5A H 0.3455 0.1298 -0.3023 0.040 Uiso 1 1 calc R
H5B H 0.4237 0.1232 -0.3680 0.040 Uiso 1 1 calc R
C6 C 0.36719(12) 0.09178(4) -0.31017(12) 0.040(2) Uani 1 1 d R
H6A H 0.3847 0.0927 -0.2456 0.048 Uiso 1 1 calc R
H6B H 0.3085 0.0849 -0.3120 0.048 Uiso 1 1 calc R
C7 C 0.42699(12) 0.07429(4) -0.35897(12) 0.0310(18) Uani 1 1 d R
H7A H 0.4855 0.0813 -0.3582 0.037 Uiso 1 1 calc R
H7B H 0.4088 0.0731 -0.4232 0.037 Uiso 1 1 calc R
C8 C 0.43040(12) 0.04788(4) -0.31741(12) 0.051(3) Uani 1 1 d R
H8A H 0.3710 0.0424 -0.3059 0.062 Uiso 1 1 calc R
H8B H 0.4555 0.0367 -0.3632 0.062 Uiso 1 1 calc R
N4 N 0.48026(12) 0.04539(4) -0.23129(12) 0.050(2) Uani 1 1 d R
HN4A H 0.4608 0.0564 -0.1900 0.075 Uiso 1 1 calc R
HN4B H 0.5366 0.0482 -0.2426 0.075 Uiso 1 1 calc R
HN4C H 0.4737 0.0300 -0.2089 0.075 Uiso 1 1 calc R
OW1 O 0.37699(12) 0.12707(4) -0.07878(12) 0.0262(12) Uani 1 1 d R
HW1A H 0.3683 0.1237 -0.0191 0.031 Uiso 1 1 d R
HW1B H 0.3310 0.1364 -0.0946 0.031 Uiso 1 1 d R
OW2 O 0.00000(12) 0.00000(4) 0.36814(12) 0.089(5) Uani 1 2 d SR
HW2 H 0.0432 -0.0054 0.4064 0.107 Uiso 1 1 d R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0059 0.0028 '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 0.0110 0.0057 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0186 0.0104 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -0.5103 2.7209 '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
O11 Ge1 O9 91.74(17) . .
O11 Ge1 O16 90.81(18) . .
O9 Ge1 O16 95.21(17) . .
O11 Ge1 O7 96.16(16) . .
O9 Ge1 O7 89.87(16) . .
O16 Ge1 O7 171.25(17) . .
O11 Ge1 O2 93.91(17) . .
O9 Ge1 O2 169.80(15) . .
O16 Ge1 O2 93.20(16) . .
O7 Ge1 O2 81.09(16) . .
O11 Ge1 O6 173.93(16) . .
O9 Ge1 O6 93.38(16) . .
O16 Ge1 O6 91.97(16) . .
O7 Ge1 O6 80.60(15) . .
O2 Ge1 O6 80.55(16) . .
O18 Ge2 O17 91.30(17) . .
O18 Ge2 O4 92.54(17) . .
O17 Ge2 O4 90.63(17) . .
O18 Ge2 O3 95.51(17) . .
O17 Ge2 O3 172.21(16) . .
O4 Ge2 O3 92.84(16) . .
O18 Ge2 O7 94.17(17) . .
O17 Ge2 O7 94.09(16) . .
O4 Ge2 O7 171.70(17) . .
O3 Ge2 O7 81.68(16) . .
O18 Ge2 O6 174.73(17) . .
O17 Ge2 O6 90.67(16) . .
O4 Ge2 O6 92.32(16) . .
O3 Ge2 O6 82.23(16) . .
O7 Ge2 O6 80.82(15) . .
O18 Ge2 Ge4 89.40(13) . .
O17 Ge2 Ge4 135.17(12) . .
O4 Ge2 Ge4 134.12(12) . .
O3 Ge2 Ge4 41.43(11) . .
O7 Ge2 Ge4 41.22(11) . .
O6 Ge2 Ge4 85.76(11) . .
O14 Ge3 O12 92.14(18) . .
O14 Ge3 O15 92.31(17) . .
O12 Ge3 O15 90.69(17) . .
O14 Ge3 O2 95.86(17) . .
O12 Ge3 O2 93.68(17) . .
O15 Ge3 O2 170.58(17) . .
O14 Ge3 O3 94.87(17) . .
O12 Ge3 O3 171.84(17) . .
O15 Ge3 O3 93.19(16) . .
O2 Ge3 O3 81.47(15) . .
O14 Ge3 O6 175.09(16) . .
O12 Ge3 O6 92.00(16) . .
O15 Ge3 O6 90.27(16) . .
O2 Ge3 O6 81.25(16) . .
O3 Ge3 O6 80.81(15) . .
O13 Ge4 O1 89.22(16) 3 .
O13 Ge4 O8 91.42(17) 3 .
O1 Ge4 O8 92.38(17) . .
O13 Ge4 O7 96.37(16) 3 .
O1 Ge4 O7 171.85(17) . .
O8 Ge4 O7 93.40(17) . .
O13 Ge4 O3 172.04(16) 3 .
O1 Ge4 O3 93.48(16) . .
O8 Ge4 O3 95.94(17) . .
O7 Ge4 O3 80.21(16) . .
O13 Ge4 O2 92.76(16) 3 .
O1 Ge4 O2 93.87(16) . .
O8 Ge4 O2 172.53(17) . .
O7 Ge4 O2 79.98(16) . .
O3 Ge4 O2 79.59(15) . .
O13 Ge4 Ge2 137.17(12) 3 .
O1 Ge4 Ge2 133.54(12) . .
O8 Ge4 Ge2 89.31(13) . .
O7 Ge4 Ge2 40.89(11) . .
O3 Ge4 Ge2 40.28(11) . .
O2 Ge4 Ge2 83.41(11) . .
O15 Ge5 O4 110.10(18) . .
O15 Ge5 O22 108.7(2) . .
O4 Ge5 O22 111.0(2) . .
O15 Ge5 O21 113.98(18) . .
O4 Ge5 O21 113.93(18) . .
O22 Ge5 O21 98.5(2) . .
O13 Ge6 O1 104.04(18) . .
O13 Ge6 O11 115.10(18) . 11_454
O1 Ge6 O11 106.32(18) . 11_454
O13 Ge6 O14 108.72(19) . .
O1 Ge6 O14 115.04(18) . .
O11 Ge6 O14 107.82(19) 11_454 .
O9 Ge7 O17 112.18(18) . .
O9 Ge7 O10 111.57(16) . .
O17 Ge7 O10 109.9(2) . .
O9 Ge7 O20 109.82(18) . .
O17 Ge7 O20 112.58(18) . .
O10 Ge7 O20 100.17(14) . .
O8 Ge8 O18 112.59(19) . .
O8 Ge8 O24 110.6(2) . .
O18 Ge8 O24 111.85(19) . .
O8 Ge8 O23 105.71(19) . 9_554
O18 Ge8 O23 106.98(19) . 9_554
O24 Ge8 O23 108.7(2) . 9_554
O16 Ge9 O12 112.61(18) . .
O16 Ge9 O23 108.18(19) . .
O12 Ge9 O23 109.43(19) . .
O16 Ge9 O5 110.39(19) . .
O12 Ge9 O5 113.83(19) . .
O23 Ge9 O5 101.71(18) . .
O21 Ge10 O5 115.8(2) . .
O21 Ge10 O20 115.71(19) . .
O5 Ge10 O20 115.01(19) . .
O21 Ge10 O19 100.31(19) . .
O5 Ge10 O19 102.19(19) . .
O20 Ge10 O19 104.76(19) . .
Ge6 O1 Ge4 124.1(2) . .
Ge3 O2 Ge1 101.10(18) . .
Ge3 O2 Ge4 98.97(16) . .
Ge1 O2 Ge4 97.64(17) . .
Ge2 O3 Ge4 98.28(17) . .
Ge2 O3 Ge3 100.22(17) . .
Ge4 O3 Ge3 98.30(16) . .
Ge5 O4 Ge2 115.6(2) . .
Ge10 O5 Ge9 131.8(2) . .
Ge1 O6 Ge2 96.87(16) . .
Ge1 O6 Ge3 96.06(16) . .
Ge2 O6 Ge3 95.77(16) . .
Ge2 O7 Ge1 100.92(17) . .
Ge2 O7 Ge4 97.89(17) . .
Ge1 O7 Ge4 99.19(17) . .
Ge8 O8 Ge4 122.1(2) . .
Ge7 O9 Ge1 117.3(2) . .
Ge7 O10 Ge7 136.5(3) . 2_655
Ge6 O11 Ge1 122.4(2) 3 .
Ge9 O12 Ge3 117.5(2) . .
Ge6 O13 Ge4 124.0(2) . 11_454
Ge6 O14 Ge3 121.7(2) . .
Ge5 O15 Ge3 117.6(2) . .
Ge9 O16 Ge1 117.7(2) . .
Ge7 O17 Ge2 118.5(2) . .
Ge8 O18 Ge2 121.8(2) . .
Ge10 O19 H19 107(6) . .
Ge10 O20 Ge7 134.4(2) . .
Ge10 O21 Ge5 135.8(2) . .
Ge5 O22 H22 117(6) . .
Ge9 O23 Ge8 135.6(3) . 9_455
Ge8 O24 H24 120(6) . .
C1 N1 HN1A 109.5 . .
C1 N1 HN1B 109.5 . .
HN1A N1 HN1B 109.5 . .
C1 N1 HN1C 109.5 . .
HN1A N1 HN1C 109.5 . .
HN1B N1 HN1C 109.5 . .
N1 C1 C2 113.5 . .
N1 C1 H1A 108.9 . .
C2 C1 H1A 108.9 . .
N1 C1 H1B 108.9 . .
C2 C1 H1B 108.9 . .
H1A C1 H1B 107.7 . .
C1 C2 C3 114.6 . .
C1 C2 H2A 108.6 . .
C3 C2 H2A 108.6 . .
C1 C2 H2B 108.6 . .
C3 C2 H2B 108.6 . .
H2A C2 H2B 107.6 . .
C4 C3 C2 112.0 . .
C4 C3 H3A 109.2 . .
C2 C3 H3A 109.2 . .
C4 C3 H3B 109.2 . .
C2 C3 H3B 109.2 . .
H3A C3 H3B 107.9 . .
N2 C4 C3 111.6 . .
N2 C4 H4A 109.3 . .
C3 C4 H4A 109.3 . .
N2 C4 H4B 109.3 . .
C3 C4 H4B 109.3 . .
H4A C4 H4B 108.0 . .
C4 N2 HN2A 109.5 . .
C4 N2 HN2B 109.5 . .
HN2A N2 HN2B 109.5 . .
C4 N2 HN2C 109.5 . .
HN2A N2 HN2C 109.5 . .
HN2B N2 HN2C 109.5 . .
C5 N3 HN3A 109.5 . .
C5 N3 HN3B 109.5 . .
HN3A N3 HN3B 109.5 . .
C5 N3 HN3C 109.5 . .
HN3A N3 HN3C 109.5 . .
HN3B N3 HN3C 109.5 . .
N3 C5 C6 113.8 . .
N3 C5 H5A 108.8 . .
C6 C5 H5A 108.8 . .
N3 C5 H5B 108.8 . .
C6 C5 H5B 108.8 . .
H5A C5 H5B 107.7 . .
C7 C6 C5 114.9 . .
C7 C6 H6A 108.6 . .
C5 C6 H6A 108.6 . .
C7 C6 H6B 108.6 . .
C5 C6 H6B 108.6 . .
H6A C6 H6B 107.5 . .
C6 C7 C8 114.6 . .
C6 C7 H7A 108.6 . .
C8 C7 H7A 108.6 . .
C6 C7 H7B 108.6 . .
C8 C7 H7B 108.6 . .
H7A C7 H7B 107.6 . .
N4 C8 C7 115.6 . .
N4 C8 H8A 108.4 . .
C7 C8 H8A 108.4 . .
N4 C8 H8B 108.4 . .
C7 C8 H8B 108.4 . .
H8A C8 H8B 107.4 . .
C8 N4 HN4A 109.5 . .
C8 N4 HN4B 109.5 . .
HN4A N4 HN4B 109.5 . .
C8 N4 HN4C 109.5 . .
HN4A N4 HN4C 109.5 . .
HN4B N4 HN4C 109.5 . .
HW1A OW1 HW1B 104.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 O11 1.818(4) .
Ge1 O9 1.857(4) .
Ge1 O16 1.857(4) .
Ge1 O7 1.945(4) .
Ge1 O2 1.948(4) .
Ge1 O6 1.998(4) .
Ge2 O18 1.837(4) .
Ge2 O17 1.850(4) .
Ge2 O4 1.853(4) .
Ge2 O3 1.913(4) .
Ge2 O7 1.934(4) .
Ge2 O6 2.000(4) .
Ge2 Ge4 2.9273(10) .
Ge3 O14 1.813(4) .
Ge3 O12 1.850(4) .
Ge3 O15 1.853(4) .
Ge3 O2 1.909(4) .
Ge3 O3 1.962(4) .
Ge3 O6 2.008(4) .
Ge4 O13 1.803(4) 3
Ge4 O1 1.818(4) .
Ge4 O8 1.840(4) .
Ge4 O7 1.948(4) .
Ge4 O3 1.958(4) .
Ge4 O2 1.990(4) .
Ge5 O15 1.727(4) .
Ge5 O4 1.742(4) .
Ge5 O22 1.745(4) .
Ge5 O21 1.766(4) .
Ge6 O13 1.714(4) .
Ge6 O1 1.728(4) .
Ge6 O11 1.735(4) 11_454
Ge6 O14 1.753(4) .
Ge7 O9 1.733(4) .
Ge7 O17 1.738(4) .
Ge7 O10 1.748(2) .
Ge7 O20 1.770(4) .
Ge8 O8 1.722(4) .
Ge8 O18 1.747(4) .
Ge8 O24 1.748(4) .
Ge8 O23 1.760(4) 9_554
Ge9 O16 1.725(4) .
Ge9 O12 1.742(4) .
Ge9 O23 1.741(4) .
Ge9 O5 1.772(4) .
Ge10 O21 1.727(4) .
Ge10 O5 1.745(4) .
Ge10 O20 1.750(4) .
Ge10 O19 1.755(4) .
O10 Ge7 1.748(2) 2_655
O11 Ge6 1.735(4) 3
O13 Ge4 1.803(4) 11_454
O19 H19 0.89(2) .
O22 H22 0.87(2) .
O23 Ge8 1.760(4) 9_455
O24 H24 0.90(2) .
N1 C1 1.4903 .
N1 HN1A 0.8900 .
N1 HN1B 0.8900 .
N1 HN1C 0.8900 .
C1 C2 1.5054 .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.5161 .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.5095 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 N2 1.4957 .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
N2 HN2A 0.8900 .
N2 HN2B 0.8900 .
N2 HN2C 0.8900 .
N3 C5 1.5030 .
N3 HN3A 0.8900 .
N3 HN3B 0.8900 .
N3 HN3C 0.8900 .
C5 C6 1.5416 .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C7 1.4866 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.5376 .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 N4 1.4636 .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
N4 HN4A 0.8900 .
N4 HN4B 0.8900 .
N4 HN4C 0.8900 .
OW1 HW1A 0.8899 .
OW1 HW1B 0.8931 .
OW2 HW2 0.9078 .
