#------------------------------------------------------------------------------
#$Date: 2019-11-23 09:02:15 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232630 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/79/4347999.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_4347999
loop_
_publ_author_name
'Huang, Shiliang'
'Su, Jie'
'Christensen, Kirsten'
'Inge, A. Ken'
'Liang, Jie'
'Zou, Xiaodong'
'Sun, Junliang'
_publ_section_title
;
 SU-79: a novel germanate with 3D 10- and 11-ring channels templated by a
 square-planar nickel complex
;
_journal_issue                   3
_journal_name_full               'Inorg. Chem. Front.'
_journal_page_first              278
_journal_paper_doi               10.1039/C3QI00088E
_journal_volume                  1
_journal_year                    2014
_chemical_formula_sum            'C14 H54 Ge25 N12.25 Ni2 O60'
_chemical_formula_weight         3286.36
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/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                 106.765(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   37.7974(11)
_cell_length_b                   10.4874(2)
_cell_length_c                   20.9666(4)
_cell_measurement_reflns_used    8925
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.5032
_cell_measurement_theta_min      1.6644
_cell_volume                     7957.8(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.977
_diffrn_radiation_monochromator  synchrotron
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6889
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            35737
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    9.853
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77006
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate-like
_exptl_crystal_F_000             6239
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.802
_refine_diff_density_min         -2.569
_refine_diff_density_rms         0.305
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         7998
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0599
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0892P)²+365.6306P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1750
_refine_ls_wR_factor_ref         0.1784
_reflns_number_gt                7414
_reflns_number_total             7998
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3qi00088e2.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4347999
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_group
Ge1 Ge 0.07716(2) 0.59776(8) 0.24119(4) 0.00735(18) Uani 0.9281(11) 1 d P 1
Ge2 Ge 0.07720(2) 0.39788(8) 0.33923(4) 0.00754(19) Uani 0.9281(11) 1 d P 1
Ge3 Ge 0.13612(2) 0.39497(8) 0.27014(4) 0.00858(19) Uani 0.9281(11) 1 d P 1
Ge4 Ge 0.13728(2) 0.59512(8) 0.37152(4) 0.00796(19) Uani 0.9281(11) 1 d P 1
Ge5 Ge 0.0000 0.49742(12) 0.2500 0.0112(3) Uani 0.9281(11) 2 d SP 1
Ge6 Ge 0.11808(3) 0.53918(9) 0.13889(4) 0.0105(2) Uani 0.9281(11) 1 d P 1
Ge7 Ge 0.11846(3) 0.84416(8) 0.29421(5) 0.0104(2) Uani 0.9281(11) 1 d P 1
Ge8 Ge 0.11824(3) 0.45388(9) 0.48482(4) 0.0111(2) Uani 0.9281(11) 1 d P 1
Ge9 Ge 0.11870(3) 0.14864(8) 0.33313(4) 0.0105(2) Uani 0.9281(11) 1 d P 1
Ge10 Ge 0.20752(3) 0.54291(9) 0.33073(5) 0.0113(2) Uani 0.8817(10) 1 d P 1
GA10 Ge 0.2071(5) 0.4518(18) 0.3861(9) 0.0113(2) Uani 0.0464(1) 1 d P 1
Ge11 Ge 0.17602(3) 0.75220(9) 0.21680(5) 0.0129(2) Uani 0.9281(11) 1 d P 1
Ge12 Ge 0.22204(3) 0.86647(9) 0.11982(5) 0.0152(2) Uani 0.9281(11) 1 d P 1
Ge13 Ge 0.17463(3) 0.22908(10) 0.47546(5) 0.0172(2) Uani 0.9281(11) 1 d P 1
Ni14 Ni 0.18004(6) 1.2170(2) 0.08993(13) 0.0600(6) Uani 0.9281(11) 1 d P 1
O1 O 0.08252(16) 0.4131(6) 0.2508(3) 0.0106(9) Uani 0.9281(11) 1 d P 1
O2 O 0.08302(16) 0.5805(6) 0.3360(3) 0.0106(9) Uani 0.9281(11) 1 d P 1
O3 O 0.13274(17) 0.5832(6) 0.2737(3) 0.0118(14) Uani 0.9281(11) 1 d P 1
O4 O 0.13210(17) 0.4095(6) 0.3606(3) 0.0111(13) Uani 0.9281(11) 1 d P 1
O5 O 0.02674(17) 0.5959(6) 0.2155(3) 0.0136(14) Uani 0.9281(11) 1 d P 1
O6 O 0.02683(17) 0.3993(6) 0.3125(3) 0.0136(14) Uani 0.9281(11) 1 d P 1
O7 O 0.07834(17) 0.5941(6) 0.1539(3) 0.0126(14) Uani 0.9281(11) 1 d P 1
O8 O 0.13300(19) 0.3989(6) 0.1806(3) 0.0145(14) Uani 0.9281(11) 1 d P 1
O9 O 0.07838(18) 0.7725(6) 0.2450(3) 0.0125(14) Uani 0.9281(11) 1 d P 1
O10 O 0.13561(18) 0.7701(6) 0.3710(3) 0.0131(14) Uani 0.9281(11) 1 d P 1
O11 O 0.13761(18) 0.5862(6) 0.4585(3) 0.0132(14) Uani 0.9281(11) 1 d P 1
O12 O 0.07763(19) 0.4061(6) 0.4273(3) 0.0145(14) Uani 0.9281(11) 1 d P 1
O13 O 0.07855(17) 0.2228(6) 0.3380(3) 0.0116(13) Uani 0.9281(11) 1 d P 1
O14 O 0.13671(18) 0.2213(6) 0.2741(3) 0.0137(14) Uani 0.9281(11) 1 d P 1
O15 O 0.18642(18) 0.4045(6) 0.2921(3) 0.0132(14) Uani 0.9281(11) 1 d P 1
O16 O 0.18836(18) 0.5905(7) 0.3931(3) 0.0161(15) Uani 0.9281(11) 1 d P 1
O17 O 0.15151(19) 0.8606(7) 0.2508(4) 0.0176(15) Uani 0.9281(11) 1 d P 1
O18 O 0.21018(18) 0.6684(7) 0.2763(3) 0.0176(15) Uani 0.9281(11) 1 d P 1
O19 O 0.1518(2) 0.6575(7) 0.1506(3) 0.0192(16) Uani 0.9281(11) 1 d P 1
O20 O 0.1060(2) 0.4965(6) 0.0542(3) 0.0171(15) Uani 0.9281(11) 1 d P 1
O21 O 0.10345(19) -0.0033(6) 0.3048(4) 0.0176(15) Uani 0.9281(11) 1 d P 1
O22 O 0.1509(2) 0.1280(7) 0.4115(3) 0.0198(16) Uani 0.9281(11) 1 d P 1
O23 O 0.24534(17) 1.0124(6) 0.1312(4) 0.0188(15) Uani 0.9281(11) 1 d P 1
O24 O 0.1984(2) 0.8644(7) 0.1807(4) 0.0222(16) Uani 0.9281(11) 1 d P 1
O25 O 0.1925(2) 0.8819(8) 0.0393(4) 0.0293(19) Uani 0.9281(11) 1 d P 1
O26 O 0.1491(2) 0.3271(7) 0.5100(3) 0.0234(17) Uani 0.9281(11) 1 d P 1
O27 O 0.2482(2) 0.7295(8) 0.1262(5) 0.036(2) Uani 0.9281(11) 1 d P 1
H27 H 0.2675 0.7460 0.1173 0.054 Uiso 0.9281(11) 1 calc PR 1
O28 O 0.2097(3) 0.3108(11) 0.4557(5) 0.045(2) Uani 0.9281(11) 1 d P 1
H28 H 0.2009 0.3678 0.4292 0.067 Uiso 0.9281(11) 1 calc PR 1
N1 N 0.2080(4) 1.3038(15) 0.0426(7) 0.063(4) Uani 0.9281(11) 1 d P 1
H1A H 0.2149 1.2486 0.0155 0.076 Uiso 0.9281(11) 1 calc PR 1
H1B H 0.1940 1.3645 0.0170 0.076 Uiso 0.9281(11) 1 calc PR 1
N2 N 0.2104(5) 1.2991(15) 0.1681(8) 0.072(5) Uani 0.9281(11) 1 d P 1
H2A H 0.1962 1.3305 0.1922 0.087 Uiso 0.9281(11) 1 calc PR 1
H2B H 0.2262 1.2422 0.1933 0.087 Uiso 0.9281(11) 1 calc PR 1
N3 N 0.1497(4) 1.1344(14) 0.0138(8) 0.070(5) Uani 0.9281(11) 1 d PD 1
H3A H 0.1447 1.1885 -0.0210 0.084 Uiso 0.9281(11) 1 calc PR 1
H3B H 0.1619 1.0671 0.0038 0.084 Uiso 0.9281(11) 1 calc PR 1
N4 N 0.1506(5) 1.1356(18) 0.1374(10) 0.099(6) Uani 0.9281(11) 1 d P 1
H4A H 0.1653 1.0898 0.1709 0.119 Uiso 0.9281(11) 1 calc PR 1
H4B H 0.1393 1.1954 0.1553 0.119 Uiso 0.9281(11) 1 calc PR 1
C1 C 0.2305(6) 1.399(2) 0.1494(10) 0.069(5) Uiso 0.9281(11) 1 d P 1
H1C H 0.2527 1.4167 0.1853 0.083 Uiso 0.9281(11) 1 calc PR 1
H1D H 0.2156 1.4762 0.1411 0.083 Uiso 0.9281(11) 1 calc PR 1
C2 C 0.2408(7) 1.363(2) 0.0872(12) 0.083(6) Uiso 0.9281(11) 1 d P 1
H2 H 0.2582 1.2917 0.1014 0.099 Uiso 0.9281(11) 1 calc PR 1
C3 C 0.2607(6) 1.455(2) 0.0576(11) 0.076(6) Uiso 0.9281(11) 1 d P 1
H3C H 0.2651 1.4181 0.0186 0.114 Uiso 0.9281(11) 1 calc PR 1
H3D H 0.2839 1.4753 0.0894 0.114 Uiso 0.9281(11) 1 calc PR 1
H3E H 0.2462 1.5307 0.0456 0.114 Uiso 0.9281(11) 1 calc PR 1
C4 C 0.1231(7) 1.053(2) 0.0962(9) 0.089(7) Uiso 0.9281(11) 1 d PD 1
H4C H 0.1007 1.0573 0.1101 0.107 Uiso 0.9281(11) 1 calc PR 1
H4D H 0.1319 0.9656 0.1018 0.107 Uiso 0.9281(11) 1 calc PR 1
C5 C 0.1143(5) 1.090(2) 0.0242(8) 0.113(9) Uiso 0.9281(11) 1 d PD 1
H5 H 0.1003 1.1689 0.0220 0.136 Uiso 0.9281(11) 1 calc PR 1
C6 C 0.0891(4) 1.0089(13) -0.0280(7) 0.22(3) Uiso 0.9281(11) 1 d PD 1
H6A H 0.0862 1.0461 -0.0711 0.327 Uiso 0.9281(11) 1 calc PR 1
H6B H 0.0654 1.0037 -0.0198 0.327 Uiso 0.9281(11) 1 calc PR 1
H6C H 0.0993 0.9249 -0.0268 0.327 Uiso 0.9281(11) 1 calc PR 1
OW1 O 0.2027(4) 0.1189(13) 0.2706(7) 0.126(7) Uiso 0.9281(11) 1 d PRD 1
HW1A H 0.1783 0.1491 0.2679 0.189 Uiso 0.9281(11) 1 d PRD 1
HW1B H 0.2188 0.1873 0.2920 0.189 Uiso 0.9281(11) 1 d PRD 1
OW2 O 0.0467(4) 0.7382(13) 0.3973(7) 0.088(9) Uiso 0.4641(5) 1 d PR 1
OW3 O 0.0471(4) 0.2622(13) 0.1474(7) 0.106(11) Uiso 0.4641(5) 1 d PR 1
N5 N 0.0000(4) 0.1524(13) 0.2500(7) 0.122(12) Uiso 0.9281(11) 2 d SPRD 1
H5A H -0.0245 0.1600 0.2392 0.182 Uiso 0.4641(5) 1 calc PR 1
H5B H 0.0096 0.2230 0.2383 0.182 Uiso 0.4641(5) 1 calc PR 1
H5C H 0.0090 0.1410 0.2938 0.182 Uiso 0.4641(5) 1 calc PR 1
N6 N 0.0000 -0.154(3) 0.2500 0.141(14) Uiso 0.9281(11) 2 d SPD 1
H6D H -0.0186 -0.1988 0.2565 0.212 Uiso 0.4641(5) 1 calc PR 1
H6E H 0.0175 -0.2063 0.2453 0.212 Uiso 0.4641(5) 1 calc PR 1
H6F H -0.0082 -0.1066 0.2134 0.212 Uiso 0.4641(5) 1 calc PR 1
C7 C 0.0098(10) 0.041(2) 0.215(2) 0.12(2) Uiso 0.4641(5) 1 d PD 1
C8 C 0.0155(13) -0.069(3) 0.3082(18) 0.13(2) Uiso 0.4641(5) 1 d PD 1
Ni15 Ni 0.0000 0.5000 0.5000 0.054(4) Uiso 0.200(9) 2 d SPD 1
N7 N 0.0011(9) 0.493(2) 0.4172(13) 0.091(7) Uiso 0.800(9) 1 d P 1
N8 N 0.0126(8) 0.576(3) 0.4220(12) 0.062(18) Uiso 0.200(9) 1 d PD 1
N9 N -0.02223(17) 0.6707(6) 0.4950(3) 0.13(4) Uiso 0.200(9) 1 d PD 1
A1 Ge 0.07759(17) 0.5984(6) 0.3201(3) 0.00735(18) Uani 0.0422(7) 1 d PR 2
A2 Ge 0.07659(17) 0.4003(6) 0.2205(3) 0.00754(19) Uani 0.0422(7) 1 d PR 2
A3 Ge 0.13548(17) 0.6001(6) 0.2470(3) 0.00858(19) Uani 0.0422(7) 1 d PR 2
A4 Ge 0.13772(17) 0.4003(6) 0.3490(3) 0.00796(19) Uani 0.0422(7) 1 d PR 2
A6 Ge 0.11821(17) 0.8451(6) 0.3097(3) 0.0105(2) Uani 0.0422(7) 1 d PR 2
A7 Ge 0.12017(17) 0.5365(6) 0.4644(3) 0.0104(2) Uani 0.0422(7) 1 d PR 2
A8 Ge 0.11789(17) 0.1525(6) 0.2697(3) 0.0111(2) Uani 0.0422(7) 1 d PR 2
A9 Ge 0.11685(17) 0.4542(6) 0.1154(3) 0.0105(2) Uani 0.0422(7) 1 d PR 2
A10 Ge 0.20762(17) 0.5541(6) 0.3566(3) 0.0113(2) Uani 0.0422(7) 1 d PRD 2
A11 Ge 0.17728(17) 0.7510(6) 0.4454(3) 0.0129(2) Uani 0.0422(7) 1 d PR 2
A13 Ge 0.17315(17) 0.2279(6) 0.1840(3) 0.0172(2) Uani 0.0422(7) 1 d PR 2
AO1 O 0.08115(17) 0.5822(6) 0.2287(3) 0.0106(9) Uani 0.0422(7) 1 d PR 2
AO2 O 0.08204(17) 0.4184(6) 0.3164(3) 0.0106(9) Uani 0.0422(7) 1 d PR 2
AO3 O 0.13258(17) 0.4169(6) 0.2530(3) 0.0118(14) Uani 0.0422(7) 1 d PR 2
AO4 O 0.13403(17) 0.5877(6) 0.3431(3) 0.0111(13) Uani 0.0422(7) 1 d PR 2
AO5 O 0.02728(17) 0.5991(6) 0.2940(3) 0.0136(14) Uani 0.0422(7) 1 d PR 2
AO6 O 0.02635(17) 0.4010(6) 0.1973(3) 0.0136(14) Uani 0.0422(7) 1 d PR 2
AO7 O 0.07923(17) 0.7738(6) 0.3183(3) 0.0126(14) Uani 0.0422(7) 1 d PR 2
AO8 O 0.13247(17) 0.7740(6) 0.2468(3) 0.0145(14) Uani 0.0422(7) 1 d PR 2
AO9 O 0.08001(17) 0.5943(6) 0.4078(3) 0.0125(14) Uani 0.0422(7) 1 d PR 2
AO10 O 0.13628(17) 0.4013(6) 0.4363(3) 0.0131(14) Uani 0.0422(7) 1 d PR 2
AO11 O 0.13802(17) 0.2256(6) 0.3449(3) 0.0132(14) Uani 0.0422(7) 1 d PR 2
AO12 O 0.07740(17) 0.2265(6) 0.2270(3) 0.0145(14) Uani 0.0422(7) 1 d PR 2
AO13 O 0.07727(17) 0.4031(6) 0.1342(3) 0.0116(13) Uani 0.0422(7) 1 d PR 2
AO14 O 0.13482(17) 0.5883(6) 0.1582(3) 0.0137(14) Uani 0.0422(7) 1 d PR 2
AO15 O 0.18605(17) 0.6067(6) 0.2769(3) 0.0132(14) Uani 0.0422(7) 1 d PR 2
AO16 O 0.18784(17) 0.4093(6) 0.3725(3) 0.0161(15) Uani 0.0422(7) 1 d PR 2
AO17 O 0.15355(17) 0.6586(6) 0.4885(3) 0.0176(15) Uani 0.0422(7) 1 d PR 2
AO18 O 0.21119(17) 0.6665(6) 0.4220(3) 0.0176(15) Uani 0.0422(7) 1 d PR 2
AO19 O 0.15268(17) 0.8560(6) 0.3853(3) 0.0192(16) Uani 0.0422(7) 1 d PR 2
AO20 O 0.10592(17) 1.0011(6) 0.2819(3) 0.0171(15) Uani 0.0422(7) 1 d PR 2
AO21 O 0.10133(17) 0.4948(6) 0.0319(3) 0.0176(15) Uani 0.0422(7) 1 d PR 2
AO22 O 0.14885(17) 0.3311(6) 0.1212(3) 0.0198(16) Uani 0.0422(7) 1 d PR 2
AO24 O 0.20031(17) 0.8472(6) 0.5125(3) 0.0222(16) Uani 0.0422(7) 1 d PRD 2
AO26 O 0.14807(17) 0.1341(6) 0.2207(3) 0.0234(17) Uani 0.0422(7) 1 d PR 2
AO28 O 0.20878(17) 0.3057(6) 0.2425(3) 0.045(2) Uani 0.0422(7) 1 d PR 2
AO23 O 0.2528(5) 0.506(3) 0.365(4) 0.0188(15) Uani 0.0422(7) 1 d PD 2
AO25 O 0.1842(6) 0.891(2) 0.6335(15) 0.0293(19) Uani 0.0422(7) 1 d PD 2
AO27 O 0.2395(9) 0.283(2) 0.1282(13) 0.036(2) Uani 0.0422(7) 1 d PD 2
A5 Ge 0.0000 0.471(4) 0.2500 0.0112(3) Uani 0.0422(7) 2 d SP 2
A12 Ge 0.22020(17) 0.8653(7) 0.5970(3) 0.0152(2) Uani 0.0422(7) 1 d PD 2
B1 Ge 0.07616(17) 0.3972(7) 0.2585(3) 0.00735(18) Uani 0.0296(7) 1 d PR 3
B2 Ge 0.07640(17) 0.5940(7) 0.3584(3) 0.00754(19) Uani 0.0296(7) 1 d PR 3
B3 Ge 0.13630(17) 0.3977(7) 0.3891(3) 0.00858(19) Uani 0.0296(7) 1 d PR 3
B4 Ge 0.13532(17) 0.5987(7) 0.2884(3) 0.00796(19) Uani 0.0296(7) 1 d PR 3
B6 Ge 0.11865(17) 0.1526(7) 0.3088(3) 0.0105(2) Uani 0.0296(7) 1 d PR 3
B7 Ge 0.11571(17) 0.4629(7) 0.1544(3) 0.0104(2) Uani 0.0296(7) 1 d PR 3
B8 Ge 0.11583(17) 0.8445(7) 0.3493(3) 0.0111(2) Uani 0.0296(7) 1 d PR 3
B9 Ge 0.11967(17) 0.5411(7) 0.5040(3) 0.0105(2) Uani 0.0296(7) 1 d PR 3
B10 Ge 0.20655(17) 0.4488(7) 0.3491(3) 0.0113(2) Uani 0.0296(7) 1 d PRD 3
B11 Ge 0.17489(17) 0.2512(7) 0.2295(3) 0.0129(2) Uani 0.0296(7) 1 d PR 3
B13 Ge 0.17395(17) 0.7711(7) 0.4900(3) 0.0172(2) Uani 0.0296(7) 1 d PRD 3
BO1 O 0.08171(17) 0.4125(7) 0.3545(3) 0.0106(9) Uani 0.0296(7) 1 d PR 3
BO2 O 0.07987(17) 0.5773(7) 0.2668(3) 0.0106(9) Uani 0.0296(7) 1 d PR 3
BO3 O 0.13234(17) 0.5808(7) 0.3804(3) 0.0118(14) Uani 0.0296(7) 1 d PR 3
BO4 O 0.13264(17) 0.4111(7) 0.2906(3) 0.0111(13) Uani 0.0296(7) 1 d PR 3
BO5 O 0.02590(17) 0.3935(7) 0.2357(3) 0.0136(14) Uani 0.0296(7) 1 d PRD 3
BO6 O 0.02613(17) 0.5904(7) 0.3326(3) 0.0136(14) Uani 0.0296(7) 1 d PRD 3
BO7 O 0.07872(17) 0.2218(7) 0.2620(3) 0.0126(14) Uani 0.0296(7) 1 d PR 3
BO8 O 0.13411(17) 0.2236(7) 0.3863(3) 0.0145(14) Uani 0.0296(7) 1 d PR 3
BO9 O 0.07665(17) 0.4024(7) 0.1724(3) 0.0125(14) Uani 0.0296(7) 1 d PR 3
BO10 O 0.13195(17) 0.5986(7) 0.1988(3) 0.0131(14) Uani 0.0296(7) 1 d PR 3
BO11 O 0.13486(17) 0.7733(7) 0.2929(3) 0.0132(14) Uani 0.0296(7) 1 d PR 3
BO12 O 0.07622(17) 0.7679(7) 0.3527(3) 0.0145(14) Uani 0.0296(7) 1 d PR 3
BO13 O 0.07901(17) 0.5904(7) 0.4463(3) 0.0116(13) Uani 0.0296(7) 1 d PR 3
BO14 O 0.13754(17) 0.4084(7) 0.4782(3) 0.0137(14) Uani 0.0296(7) 1 d PR 3
BO15 O 0.18678(17) 0.3941(7) 0.4085(3) 0.0132(14) Uani 0.0296(7) 1 d PR 3
BO16 O 0.18551(17) 0.5927(7) 0.3137(3) 0.0161(15) Uani 0.0296(7) 1 d PR 3
BO17 O 0.14950(17) 0.3429(7) 0.1628(3) 0.0176(15) Uani 0.0296(7) 1 d PR 3
BO18 O 0.20927(17) 0.3373(7) 0.2864(3) 0.0176(15) Uani 0.0296(7) 1 d PR 3
BO19 O 0.15187(17) 0.1443(7) 0.2661(3) 0.0192(16) Uani 0.0296(7) 1 d PR 3
BO20 O 0.10761(17) -0.0045(7) 0.3247(3) 0.0171(15) Uani 0.0296(7) 1 d PR 3
BO21 O 0.10604(17) 0.4988(7) 0.5732(3) 0.0176(15) Uani 0.0296(7) 1 d PR 3
BO22 O 0.15139(17) 0.6664(7) 0.5297(3) 0.0198(16) Uani 0.0296(7) 1 d PR 3
BO24 O 0.19619(17) 0.1556(7) 0.1835(3) 0.0222(16) Uani 0.0296(7) 1 d PR 3
BO26 O 0.14716(17) 0.8644(7) 0.4274(3) 0.0234(17) Uani 0.0296(7) 1 d PR 3
BO28 O 0.20908(17) 0.7001(7) 0.4646(3) 0.045(2) Uani 0.0296(7) 1 d PR 3
BO23 O 0.2519(5) 0.487(2) 0.3445(13) 0.0188(15) Uani 0.0296(7) 1 d PD 3
BO25 O 0.1975(14) 0.884(3) 0.5508(15) 0.0293(19) Uani 0.0296(7) 1 d PD 3
BO27 O 0.2696(5) 0.187(9) 0.183(3) 0.036(2) Uani 0.0296(7) 1 d P 3
B5 Ge 0.0000 0.5295(15) 0.2500 0.0112(3) Uani 0.0296(7) 2 d SPD 3
B12 Ge 0.2258(5) 0.867(2) 0.6337(9) 0.0152(2) Uani 0.0296(7) 1 d PD 3
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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
O5 Ge1 O9 92.0(3) . .
O5 Ge1 O7 91.7(3) . .
O9 Ge1 O7 93.2(3) . .
O5 Ge1 O2 95.8(3) . .
O9 Ge1 O2 93.2(3) . .
O7 Ge1 O2 170.0(3) . .
O5 Ge1 O1 95.1(3) . .
O9 Ge1 O1 170.5(3) . .
O7 Ge1 O1 92.9(3) . .
O2 Ge1 O1 79.9(3) . .
O5 Ge1 O3 174.4(3) . .
O9 Ge1 O3 92.9(3) . .
O7 Ge1 O3 90.8(3) . .
O2 Ge1 O3 81.2(3) . .
O1 Ge1 O3 79.8(3) . .
O5 Ge1 Ge2 89.3(2) . .
O9 Ge1 Ge2 133.5(2) . .
O7 Ge1 Ge2 133.2(2) . .
O2 Ge1 Ge2 40.58(19) . .
O1 Ge1 Ge2 40.55(19) . .
O3 Ge1 Ge2 85.35(19) . .
O6 Ge2 O13 92.0(3) . .
O6 Ge2 O12 90.8(3) . .
O13 Ge2 O12 93.9(3) . .
O6 Ge2 O1 95.4(3) . .
O13 Ge2 O1 93.3(3) . .
O12 Ge2 O1 170.3(3) . .
O6 Ge2 O2 95.8(3) . .
O13 Ge2 O2 170.7(3) . .
O12 Ge2 O2 91.2(3) . .
O1 Ge2 O2 80.8(3) . .
O6 Ge2 O4 173.9(3) . .
O13 Ge2 O4 91.9(3) . .
O12 Ge2 O4 93.7(3) . .
O1 Ge2 O4 79.7(3) . .
O2 Ge2 O4 80.0(3) . .
O6 Ge2 Ge1 89.4(2) . .
O13 Ge2 Ge1 134.3(2) . .
O12 Ge2 Ge1 131.8(2) . .
O1 Ge2 Ge1 41.13(19) . .
O2 Ge2 Ge1 40.94(19) . .
O4 Ge2 Ge1 84.50(17) . .
O14 Ge3 O15 92.6(3) . .
O14 Ge3 O8 93.7(3) . .
O15 Ge3 O8 90.7(3) . .
O14 Ge3 O4 92.1(3) . .
O15 Ge3 O4 96.8(3) . .
O8 Ge3 O4 170.3(3) . .
O14 Ge3 O1 96.0(3) . .
O15 Ge3 O1 170.9(3) . .
O8 Ge3 O1 91.6(3) . .
O4 Ge3 O1 80.1(3) . .
O14 Ge3 O3 173.7(3) . .
O15 Ge3 O3 90.6(3) . .
O8 Ge3 O3 91.8(3) . .
O4 Ge3 O3 82.0(3) . .
O1 Ge3 O3 80.6(3) . .
O11 Ge4 O10 92.7(3) . .
O11 Ge4 O16 92.8(3) . .
O10 Ge4 O16 93.4(3) . .
O11 Ge4 O4 92.1(3) . .
O10 Ge4 O4 171.2(3) . .
O16 Ge4 O4 93.7(3) . .
O11 Ge4 O2 94.6(3) . .
O10 Ge4 O2 92.6(3) . .
O16 Ge4 O2 170.3(3) . .
O4 Ge4 O2 79.7(3) . .
O11 Ge4 O3 172.2(3) . .
O10 Ge4 O3 93.6(3) . .
O16 Ge4 O3 91.4(3) . .
O4 Ge4 O3 81.0(3) . .
O2 Ge4 O3 80.6(3) . .
O5 Ge5 O5 107.2(4) 2 .
O5 Ge5 O6 112.4(3) 2 2
O5 Ge5 O6 108.6(3) . 2
O5 Ge5 O6 108.6(3) 2 .
O5 Ge5 O6 112.4(3) . .
O6 Ge5 O6 107.6(4) 2 .
O7 Ge6 O8 111.6(3) . .
O7 Ge6 O19 112.1(3) . .
O8 Ge6 O19 114.7(3) . .
O7 Ge6 O20 106.4(3) . .
O8 Ge6 O20 104.3(3) . .
O19 Ge6 O20 106.9(3) . .
O21 Ge7 O10 110.0(3) 1_565 .
O21 Ge7 O9 102.4(3) 1_565 .
O10 Ge7 O9 112.7(3) . .
O21 Ge7 O17 106.5(3) 1_565 .
O10 Ge7 O17 113.2(3) . .
O9 Ge7 O17 111.3(3) . .
O20 Ge8 O12 105.9(3) 6_566 .
O20 Ge8 O11 105.5(3) 6_566 .
O12 Ge8 O11 112.4(3) . .
O20 Ge8 O26 107.0(3) 6_566 .
O12 Ge8 O26 111.8(3) . .
O11 Ge8 O26 113.5(4) . .
O13 Ge9 O21 102.8(3) . .
O13 Ge9 O14 111.8(3) . .
O21 Ge9 O14 108.4(3) . .
O13 Ge9 O22 112.6(3) . .
O21 Ge9 O22 106.2(3) . .
O14 Ge9 O22 114.2(3) . .
GA10 Ge10 O15 74.0(7) . .
GA10 Ge10 O16 60.3(8) . .
O15 Ge10 O16 110.8(3) . .
GA10 Ge10 O23 76.6(7) . 4_545
O15 Ge10 O23 109.1(3) . 4_545
O16 Ge10 O23 107.3(3) . 4_545
GA10 Ge10 O18 170.7(8) . .
O15 Ge10 O18 115.2(3) . .
O16 Ge10 O18 112.7(3) . .
O23 Ge10 O18 100.9(3) 4_545 .
Ge10 GA10 O16 66.9(8) . .
Ge10 GA10 O15 58.5(6) . .
O16 GA10 O15 104.9(9) . .
Ge10 GA10 O23 57.3(7) . 4_545
O16 GA10 O23 99.5(10) . 4_545
O15 GA10 O23 91.0(8) . 4_545
Ge10 GA10 Ge12 87.0(8) . 4_545
O16 GA10 Ge12 135.6(10) . 4_545
O15 GA10 Ge12 89.1(7) . 4_545
O23 GA10 Ge12 37.3(4) 4_545 4_545
O19 Ge11 O17 118.7(3) . .
O19 Ge11 O24 104.4(3) . .
O17 Ge11 O24 96.8(3) . .
O19 Ge11 O18 113.1(3) . .
O17 Ge11 O18 113.9(3) . .
O24 Ge11 O18 107.3(3) . .
O27 Ge12 O25 110.2(4) . .
O27 Ge12 O23 117.6(4) . .
O25 Ge12 O23 102.0(3) . .
O27 Ge12 O24 109.5(4) . .
O25 Ge12 O24 112.8(4) . .
O23 Ge12 O24 104.7(4) . .
O27 Ge12 GA10 75.0(5) . 4
O25 Ge12 GA10 106.0(5) . 4
O23 Ge12 GA10 44.8(4) . 4
O24 Ge12 GA10 135.6(4) . 4
O26 Ge13 O28 111.7(5) . .
O26 Ge13 O22 117.8(4) . .
O28 Ge13 O22 112.2(4) . .
O26 Ge13 O25 102.5(4) . 6_566
O28 Ge13 O25 111.0(5) . 6_566
O22 Ge13 O25 100.5(3) . 6_566
N1 Ni14 N3 94.2(6) . .
N1 Ni14 N4 177.7(8) . .
N3 Ni14 N4 86.1(7) . .
N1 Ni14 N2 86.8(7) . .
N3 Ni14 N2 179.0(7) . .
N4 Ni14 N2 93.0(8) . .
Ge2 O1 Ge1 98.3(3) . .
Ge2 O1 Ge3 100.4(3) . .
Ge1 O1 Ge3 100.8(3) . .
Ge2 O2 Ge1 98.5(3) . .
Ge2 O2 Ge4 100.4(3) . .
Ge1 O2 Ge4 100.2(3) . .
Ge3 O3 Ge4 96.5(3) . .
Ge3 O3 Ge1 97.7(3) . .
Ge4 O3 Ge1 96.6(3) . .
Ge3 O4 Ge4 99.1(3) . .
Ge3 O4 Ge2 98.3(3) . .
Ge4 O4 Ge2 98.6(3) . .
Ge5 O5 Ge1 124.4(3) . .
Ge5 O6 Ge2 124.4(4) . .
Ge6 O7 Ge1 117.4(3) . .
Ge6 O8 Ge3 116.8(4) . .
Ge7 O9 Ge1 117.7(3) . .
Ge7 O10 Ge4 117.1(3) . .
Ge8 O11 Ge4 118.6(3) . .
Ge8 O12 Ge2 117.5(4) . .
Ge9 O13 Ge2 118.5(4) . .
Ge9 O14 Ge3 117.7(4) . .
Ge10 O15 Ge3 117.9(4) . .
Ge10 O15 GA10 47.6(6) . .
Ge3 O15 GA10 110.6(6) . .
GA10 O16 Ge10 52.8(7) . .
GA10 O16 Ge4 116.6(7) . .
Ge10 O16 Ge4 117.0(3) . .
Ge11 O17 Ge7 133.6(4) . .
Ge11 O18 Ge10 131.9(4) . .
Ge11 O19 Ge6 135.6(4) . .
Ge8 O20 Ge6 135.9(4) 6_565 .
Ge7 O21 Ge9 143.2(4) 1_545 .
Ge13 O22 Ge9 135.3(4) . .
Ge12 O23 Ge10 128.7(4) . 4
Ge12 O23 GA10 97.9(6) . 4
Ge10 O23 GA10 46.1(5) 4 4
Ge11 O24 Ge12 137.4(5) . .
Ge12 O25 Ge13 132.5(5) . 6_565
Ge13 O26 Ge8 137.7(4) . .
C2 N1 Ni14 111.7(13) . .
C1 N2 Ni14 109.6(13) . .
C5 N3 Ni14 111.9(12) . .
C4 N4 Ni14 113.0(15) . .
N2 C1 C2 109.9(18) . .
N1 C2 C3 116.9(19) . .
N1 C2 C1 106.2(19) . .
C3 C2 C1 119(2) . .
N4 C4 C5 111.1(19) . .
N3 C5 C6 118.9(16) . .
N3 C5 C4 106.4(16) . .
C6 C5 C4 120.0(17) . .
N5 C7 C8 123(3) . 2
N5 C7 C7 51.8(17) . 2
C8 C7 C7 84(3) 2 2
C7 C8 N6 98(3) 2 .
N7 Ni15 N7 180.000(3) 5_566 .
N7 Ni15 N9 83.3(8) 5_566 .
N7 Ni15 N9 96.7(8) . .
N7 Ni15 N9 96.7(8) 5_566 5_566
N7 Ni15 N9 83.3(8) . 5_566
N9 Ni15 N9 180.000(1) . 5_566
N7 Ni15 N8 29.0(12) 5_566 5_566
N7 Ni15 N8 151.0(12) . 5_566
N9 Ni15 N8 102.0(7) . 5_566
N9 Ni15 N8 78.0(7) 5_566 5_566
N7 Ni15 N8 151.0(12) 5_566 .
N7 Ni15 N8 29.0(12) . .
N9 Ni15 N8 78.0(7) . .
N9 Ni15 N8 102.0(7) 5_566 .
N8 Ni15 N8 180.000(3) 5_566 .
N8 N7 Ni15 90(2) . .
N7 N8 Ni15 61.1(18) . .
AO9 A1 AO5 92.8 . .
AO9 A1 AO7 93.0 . .
AO5 A1 AO7 91.6 . .
AO9 A1 AO2 92.3 . .
AO5 A1 AO2 95.1 . .
AO7 A1 AO2 171.2 . .
AO9 A1 AO1 170.9 . .
AO5 A1 AO1 93.8 . .
AO7 A1 AO1 93.0 . .
AO2 A1 AO1 80.9 . .
AO9 A1 AO4 90.9 . .
AO5 A1 AO4 175.3 . .
AO7 A1 AO4 91.2 . .
AO2 A1 AO4 81.8 . .
AO1 A1 AO4 82.3 . .
AO9 A1 A2 133.6 . .
AO5 A1 A2 89.5 . .
AO7 A1 A2 133.2 . .
AO2 A1 A2 41.5 . .
AO1 A1 A2 40.3 . .
AO4 A1 A2 85.8 . .
AO13 A2 AO6 92.7 . .
AO13 A2 AO12 94.9 . .
AO6 A2 AO12 91.0 . .
AO13 A2 AO1 92.7 . .
AO6 A2 AO1 94.6 . .
AO12 A2 AO1 170.4 . .
AO13 A2 AO2 170.8 . .
AO6 A2 AO2 93.8 . .
AO12 A2 AO2 91.4 . .
AO1 A2 AO2 80.4 . .
AO13 A2 AO3 91.1 . .
AO6 A2 AO3 173.6 . .
AO12 A2 AO3 93.8 . .
AO1 A2 AO3 80.1 . .
AO2 A2 AO3 81.8 . .
AO13 A2 A1 134.1 . .
AO6 A2 A1 89.2 . .
AO12 A2 A1 131.0 . .
AO1 A2 A1 41.5 . .
AO2 A2 A1 39.7 . .
AO3 A2 A1 84.4 . .
AO8 A3 AO15 91.2 . .
AO8 A3 AO14 94.7 . .
AO15 A3 AO14 93.2 . .
AO8 A3 AO3 171.4 . .
AO15 A3 AO3 95.1 . .
AO14 A3 AO3 90.8 . .
AO8 A3 AO1 91.9 . .
AO15 A3 AO1 171.0 . .
AO14 A3 AO1 94.9 . .
AO3 A3 AO1 81.0 . .
AO8 A3 AO4 92.7 . .
AO15 A3 AO4 89.3 . .
AO14 A3 AO4 172.2 . .
AO3 A3 AO4 81.6 . .
AO1 A3 AO4 82.2 . .
AO16 A4 AO11 92.5 . .
AO16 A4 AO10 93.3 . .
AO11 A4 AO10 93.1 . .
AO16 A4 AO4 90.9 . .
AO11 A4 AO4 173.7 . .
AO10 A4 AO4 92.0 . .
AO16 A4 AO3 93.5 . .
AO11 A4 AO3 92.3 . .
AO10 A4 AO3 171.1 . .
AO4 A4 AO3 82.2 . .
AO16 A4 AO2 170.8 . .
AO11 A4 AO2 95.6 . .
AO10 A4 AO2 90.5 . .
AO4 A4 AO2 80.7 . .
AO3 A4 AO2 82.0 . .
AO7 A6 AO8 111.1 . .
AO7 A6 AO19 112.0 . .
AO8 A6 AO19 113.9 . .
AO7 A6 AO20 106.8 . .
AO8 A6 AO20 105.1 . .
AO19 A6 AO20 107.3 . .
AO10 A7 AO9 112.2 . .
AO10 A7 AO17 113.7 . .
AO9 A7 AO17 110.6 . .
AO10 A7 AO21 112.5(4) . 6_566
AO9 A7 AO21 97.79(13) . 6_566
AO17 A7 AO21 108.8(3) . 6_566
AO20 A8 AO12 105.4 1_545 .
AO20 A8 AO11 110.3 1_545 .
AO12 A8 AO11 111.6 . .
AO20 A8 AO26 103.5 1_545 .
AO12 A8 AO26 112.2 . .
AO11 A8 AO26 113.3 . .
AO14 A9 AO21 107.3 . .
AO14 A9 AO13 112.0 . .
AO21 A9 AO13 104.0 . .
AO14 A9 AO22 114.3 . .
AO21 A9 AO22 106.1 . .
AO13 A9 AO22 112.3 . .
AO15 A10 AO23 111(3) . .
AO15 A10 AO16 110.5 . .
AO23 A10 AO16 101.1(17) . .
AO15 A10 AO18 116.3 . .
AO23 A10 AO18 105.2(17) . .
AO16 A10 AO18 111.4 . .
AO15 A10 A12 112.8(2) . 7_566
AO23 A10 A12 37.8(7) . 7_566
AO16 A10 A12 128.9(2) . 7_566
AO18 A10 A12 71.2(2) . 7_566
AO19 A11 AO17 118.9 . .
AO19 A11 AO18 113.8 . .
AO17 A11 AO18 113.2 . .
AO19 A11 AO24 105.0 . .
AO17 A11 AO24 96.7 . .
AO18 A11 AO24 106.6 . .
AO26 A13 AO28 111.8 . .
AO26 A13 AO22 117.4 . .
AO28 A13 AO22 111.9 . .
AO26 A13 AO25 97.0(8) . 6_565
AO28 A13 AO25 119.1(8) . 6_565
AO22 A13 AO25 98.6(11) . 6_565
A2 AO1 A1 98.2 . .
A2 AO1 A3 99.9 . .
A1 AO1 A3 99.2 . .
A1 AO2 A2 98.8 . .
A1 AO2 A4 100.1 . .
A2 AO2 A4 97.4 . .
A3 AO3 A4 99.4 . .
A3 AO3 A2 97.8 . .
A4 AO3 A2 96.9 . .
A4 AO4 A3 96.0 . .
A4 AO4 A1 96.8 . .
A3 AO4 A1 95.0 . .
A5 AO5 A1 123.5(7) . .
A2 AO6 A5 123.0(4) . .
A6 AO7 A1 118.4 . .
A6 AO8 A3 117.5 . .
A7 AO9 A1 118.5 . .
A7 AO10 A4 117.5 . .
A8 AO11 A4 118.7 . .
A8 AO12 A2 118.8 . .
A9 AO13 A2 119.4 . .
A9 AO14 A3 118.2 . .
A10 AO15 A3 118.3 . .
A10 AO16 A4 117.3 . .
A11 AO17 A7 133.5 . .
A11 AO18 A10 130.9 . .
A11 AO19 A6 136.5 . .
A8 AO20 A6 150.4 1_565 .
A9 AO21 A7 131.21(19) . 6_565
A13 AO22 A9 135.4 . .
A12 AO24 A11 149.3(3) . .
A13 AO26 A8 138.2 . .
A10 AO23 A12 104.5(12) . 7_566
A13 AO25 A12 119.8(12) 6_566 .
AO5 A5 AO5 82.1(19) . 2
AO5 A5 AO6 108.9(7) . 2
AO5 A5 AO6 106.2(7) 2 2
AO5 A5 AO6 106.2(7) . .
AO5 A5 AO6 108.9(7) 2 .
AO6 A5 AO6 133(3) 2 .
AO24 A12 AO23 126(3) . 7_566
AO24 A12 AO27 107.2(10) . 6_566
AO23 A12 AO27 113(2) 7_566 6_566
AO24 A12 AO25 107.5(11) . .
AO23 A12 AO25 96(2) 7_566 .
AO27 A12 AO25 105.3(11) 6_566 .
AO24 A12 A10 119.4(4) . 7_566
AO23 A12 A10 37.7(7) 7_566 7_566
AO27 A12 A10 82.9(13) 6_566 7_566
AO25 A12 A10 127.6(11) . 7_566
BO9 B1 BO5 92.8 . .
BO9 B1 BO7 93.0 . .
BO5 B1 BO7 91.6 . .
BO9 B1 BO2 92.3 . .
BO5 B1 BO2 95.1 . .
BO7 B1 BO2 171.2 . .
BO9 B1 BO1 170.9 . .
BO5 B1 BO1 93.8 . .
BO7 B1 BO1 93.0 . .
BO2 B1 BO1 80.9 . .
BO9 B1 BO4 90.9 . .
BO5 B1 BO4 175.3 . .
BO7 B1 BO4 91.2 . .
BO2 B1 BO4 81.8 . .
BO1 B1 BO4 82.3 . .
BO9 B1 B2 133.6 . .
BO5 B1 B2 89.5 . .
BO7 B1 B2 133.2 . .
BO2 B1 B2 41.5 . .
BO1 B1 B2 40.3 . .
BO4 B1 B2 85.8 . .
BO13 B2 BO6 92.7 . .
BO13 B2 BO12 94.9 . .
BO6 B2 BO12 91.0 . .
BO13 B2 BO1 92.7 . .
BO6 B2 BO1 94.6 . .
BO12 B2 BO1 170.4 . .
BO13 B2 BO2 170.8 . .
BO6 B2 BO2 93.8 . .
BO12 B2 BO2 91.4 . .
BO1 B2 BO2 80.4 . .
BO13 B2 BO3 91.1 . .
BO6 B2 BO3 173.6 . .
BO12 B2 BO3 93.8 . .
BO1 B2 BO3 80.1 . .
BO2 B2 BO3 81.8 . .
BO13 B2 B1 134.1 . .
BO6 B2 B1 89.2 . .
BO12 B2 B1 131.0 . .
BO1 B2 B1 41.5 . .
BO2 B2 B1 39.7 . .
BO3 B2 B1 84.4 . .
BO8 B3 BO15 91.2 . .
BO8 B3 BO14 94.7 . .
BO15 B3 BO14 93.2 . .
BO8 B3 BO3 171.4 . .
BO15 B3 BO3 95.1 . .
BO14 B3 BO3 90.8 . .
BO8 B3 BO1 91.9 . .
BO15 B3 BO1 171.0 . .
BO14 B3 BO1 94.9 . .
BO3 B3 BO1 81.0 . .
BO8 B3 BO4 92.7 . .
BO15 B3 BO4 89.3 . .
BO14 B3 BO4 172.2 . .
BO3 B3 BO4 81.6 . .
BO1 B3 BO4 82.2 . .
BO16 B4 BO11 92.5 . .
BO16 B4 BO10 93.3 . .
BO11 B4 BO10 93.1 . .
BO16 B4 BO4 90.8 . .
BO11 B4 BO4 173.7 . .
BO10 B4 BO4 92.0 . .
BO16 B4 BO3 93.5 . .
BO11 B4 BO3 92.3 . .
BO10 B4 BO3 171.1 . .
BO4 B4 BO3 82.2 . .
BO16 B4 BO2 170.8 . .
BO11 B4 BO2 95.6 . .
BO10 B4 BO2 90.5 . .
BO4 B4 BO2 80.7 . .
BO3 B4 BO2 82.0 . .
BO7 B6 BO8 111.1 . .
BO7 B6 BO19 112.0 . .
BO8 B6 BO19 113.9 . .
BO7 B6 BO20 106.8 . .
BO8 B6 BO20 105.1 . .
BO19 B6 BO20 107.3 . .
BO21 B7 BO10 106.8(5) 6_565 .
BO21 B7 BO9 110.74(15) 6_565 .
BO10 B7 BO9 112.2 . .
BO21 B7 BO17 102.1(3) 6_565 .
BO10 B7 BO17 113.8 . .
BO9 B7 BO17 110.6 . .
BO20 B8 BO12 111.7 1_565 .
BO20 B8 BO11 106.1 1_565 .
BO12 B8 BO11 111.6 . .
BO20 B8 BO26 101.2 1_565 .
BO12 B8 BO26 112.5 . .
BO11 B8 BO26 113.2 . .
BO14 B9 BO21 107.3 . .
BO14 B9 BO13 112.0 . .
BO21 B9 BO13 104.1 . .
BO14 B9 BO22 114.3 . .
BO21 B9 BO22 106.1 . .
BO13 B9 BO22 112.3 . .
BO15 B10 BO16 110.5 . .
BO15 B10 BO18 116.3 . .
BO16 B10 BO18 111.4 . .
BO15 B10 BO23 137.2(9) . .
BO16 B10 BO23 96.3(8) . .
BO18 B10 BO23 81.2(8) . .
BO19 B11 BO17 118.9 . .
BO19 B11 BO24 104.2 . .
BO17 B11 BO24 96.3 . .
BO19 B11 BO18 113.8 . .
BO17 B11 BO18 113.2 . .
BO24 B11 BO18 107.8 . .
BO26 B13 BO28 110.2 . .
BO26 B13 BO22 117.6 . .
BO28 B13 BO22 113.6 . .
BO26 B13 BO25 103.4(11) . .
BO28 B13 BO25 104(2) . .
BO22 B13 BO25 106.8(17) . .
B2 BO1 B1 98.2 . .
B2 BO1 B3 99.9 . .
B1 BO1 B3 99.2 . .
B1 BO2 B2 98.8 . .
B1 BO2 B4 100.1 . .
B2 BO2 B4 97.4 . .
B3 BO3 B4 99.4 . .
B3 BO3 B2 97.8 . .
B4 BO3 B2 96.9 . .
B4 BO4 B3 96.0 . .
B4 BO4 B1 96.8 . .
B3 BO4 B1 95.0 . .
B5 BO5 B1 121.0(3) . .
B2 BO6 B5 121.1(2) . .
B6 BO7 B1 118.4 . .
B6 BO8 B3 117.5 . .
B7 BO9 B1 118.5 . .
B7 BO10 B4 117.5 . .
B8 BO11 B4 118.7 . .
B8 BO12 B2 118.8 . .
B9 BO13 B2 119.4 . .
B9 BO14 B3 118.2 . .
B10 BO15 B3 118.3 . .
B10 BO16 B4 117.3 . .
B11 BO17 B7 133.5 . .
B11 BO18 B10 130.9 . .
B11 BO19 B6 136.5 . .
B8 BO20 B6 156.5 1_545 .
B7 BO21 B9 139.1(3) 6_566 .
B13 BO22 B9 135.3 . .
B11 BO24 B12 152.0(7) . 6_565
B13 BO26 B8 138.2 . .
B12 BO23 B10 125.4(15) 7_566 .
B12 BO25 B13 132(2) . .
BO5 B5 BO5 75.5(8) 2 .
BO5 B5 BO6 106.7(3) 2 .
BO5 B5 BO6 105.1(4) . .
BO5 B5 BO6 105.1(4) 2 2
BO5 B5 BO6 106.7(3) . 2
BO6 B5 BO6 139.4(9) . 2
BO24 B12 BO23 107.6(12) 6_566 7_566
BO24 B12 BO25 107(2) 6_566 .
BO23 B12 BO25 106.0(13) 7_566 .
BO24 B12 BO27 105.2(14) 6_566 6_566
BO23 B12 BO27 80(3) 7_566 6_566
BO25 B12 BO27 144(3) . 6_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 O5 1.825(6) .
Ge1 O9 1.834(6) .
Ge1 O7 1.844(7) .
Ge1 O2 1.945(6) .
Ge1 O1 1.952(6) .
Ge1 O3 2.019(6) .
Ge1 Ge2 2.9357(12) .
Ge2 O6 1.823(6) .
Ge2 O13 1.837(6) .
Ge2 O12 1.844(6) .
Ge2 O1 1.929(7) .
Ge2 O2 1.931(6) .
Ge2 O4 1.996(6) .
Ge3 O14 1.823(7) .
Ge3 O15 1.825(6) .
Ge3 O8 1.847(6) .
Ge3 O4 1.952(6) .
Ge3 O1 1.957(6) .
Ge3 O3 1.981(6) .
Ge4 O11 1.823(6) .
Ge4 O10 1.836(6) .
Ge4 O16 1.852(7) .
Ge4 O4 1.963(6) .
Ge4 O2 1.976(6) .
Ge4 O3 2.011(7) .
Ge5 O5 1.742(7) 2
Ge5 O5 1.742(7) .
Ge5 O6 1.744(6) 2
Ge5 O6 1.744(6) .
Ge6 O7 1.720(7) .
Ge6 O8 1.721(7) .
Ge6 O19 1.744(7) .
Ge6 O20 1.759(6) .
Ge7 O21 1.733(6) 1_565
Ge7 O10 1.737(6) .
Ge7 O9 1.739(6) .
Ge7 O17 1.753(7) .
Ge8 O20 1.729(7) 6_566
Ge8 O12 1.730(6) .
Ge8 O11 1.731(7) .
Ge8 O26 1.748(7) .
Ge9 O13 1.734(6) .
Ge9 O21 1.739(6) .
Ge9 O14 1.750(7) .
Ge9 O22 1.754(7) .
Ge10 GA10 1.507(19) .
Ge10 O15 1.740(6) .
Ge10 O16 1.741(7) .
Ge10 O23 1.759(6) 4_545
Ge10 O18 1.764(7) .
GA10 O16 1.64(2) .
GA10 O15 1.962(19) .
GA10 O23 2.03(2) 4_545
GA10 Ge12 2.859(19) 4_545
Ge11 O19 1.737(7) .
Ge11 O17 1.744(7) .
Ge11 O24 1.745(7) .
Ge11 O18 1.751(7) .
Ge12 O27 1.727(8) .
Ge12 O25 1.743(7) .
Ge12 O23 1.748(7) .
Ge12 O24 1.756(8) .
Ge12 GA10 2.859(19) 4
Ge13 O26 1.706(8) .
Ge13 O28 1.727(9) .
Ge13 O22 1.741(7) .
Ge13 O25 1.755(7) 6_566
Ni14 N1 1.882(17) .
Ni14 N3 1.886(17) .
Ni14 N4 1.90(2) .
Ni14 N2 1.913(17) .
O20 Ge8 1.729(7) 6_565
O21 Ge7 1.733(6) 1_545
O23 Ge10 1.759(6) 4
O23 GA10 2.03(2) 4
O25 Ge13 1.755(7) 6_565
N1 C2 1.46(3) .
N2 C1 1.42(3) .
N3 C5 1.491(16) .
N4 C4 1.44(3) .
C1 C2 1.51(3) .
C2 C3 1.47(3) .
C4 C5 1.501(17) .
C5 C6 1.492(16) .
N5 C7 1.486(19) .
N6 C8 1.487(19) .
C7 C8 1.49(2) 2
C7 C7 1.84(8) 2
C8 C7 1.49(2) 2
Ni15 N7 1.75(3) 5_566
Ni15 N7 1.75(3) .
Ni15 N9 1.967(6) .
Ni15 N9 1.967(6) 5_566
Ni15 N8 1.998(18) 5_566
Ni15 N8 1.998(18) .
N7 N8 0.97(4) .
A1 AO9 1.8133 .
A1 AO5 1.8207 .
A1 AO7 1.8419 .
A1 AO2 1.8988 .
A1 AO1 1.9678 .
A1 AO4 2.0500 .
A1 A2 2.9381 .
A2 AO13 1.8170 .
A2 AO6 1.8196 .
A2 AO12 1.8274 .
A2 AO1 1.9184 .
A2 AO2 1.9692 .
A2 AO3 2.0348 .
A3 AO8 1.8271 .
A3 AO15 1.8329 .
A3 AO14 1.8586 .
A3 AO3 1.9309 .
A3 AO1 1.9862 .
A3 AO4 2.0352 .
A4 AO16 1.8173 .
A4 AO11 1.8340 .
A4 AO10 1.8465 .
A4 AO4 1.9715 .
A4 AO3 1.9735 .
A4 AO2 2.0254 .
A6 AO7 1.7072 .
A6 AO8 1.7292 .
A6 AO19 1.7414 .
A6 AO20 1.7544 .
A7 AO10 1.7137 .
A7 AO9 1.7445 .
A7 AO17 1.7660 .
A7 AO21 1.787(2) 6_566
A8 AO20 1.6902 1_545
A8 AO12 1.7191 .
A8 AO11 1.7216 .
A8 AO26 1.7510 .
A9 AO14 1.7015 .
A9 AO21 1.7321 .
A9 AO13 1.7384 .
A9 AO22 1.7489 .
A10 AO15 1.7253 .
A10 AO23 1.740(18) .
A10 AO16 1.7665 .
A10 AO18 1.7833 .
A10 A12 2.752(8) 7_566
A11 AO19 1.7293 .
A11 AO17 1.7395 .
A11 AO18 1.7418 .
A11 AO24 1.7453 .
A13 AO26 1.6974 .
A13 AO28 1.7407 .
A13 AO22 1.7474 .
A13 AO25 1.764(18) 6_565
AO5 A5 1.78(3) .
AO6 A5 1.840(19) .
AO20 A8 1.6902 1_565
AO21 A7 1.787(2) 6_565
AO24 A12 1.723(9) .
AO23 A12 1.740(19) 7_566
AO25 A13 1.764(18) 6_566
AO25 A12 1.764(17) .
AO27 A12 1.762(16) 6_565
A5 AO5 1.78(3) 2
A5 AO6 1.840(19) 2
A12 AO23 1.740(19) 7_566
A12 AO27 1.762(16) 6_566
A12 A10 2.752(8) 7_566
B1 BO9 1.8134 .
B1 BO5 1.8207 .
B1 BO7 1.8420 .
B1 BO2 1.8988 .
B1 BO1 1.9677 .
B1 BO4 2.0500 .
B1 B2 2.9380 .
B2 BO13 1.8170 .
B2 BO6 1.8195 .
B2 BO12 1.8274 .
B2 BO1 1.9184 .
B2 BO2 1.9692 .
B2 BO3 2.0347 .
B3 BO8 1.8272 .
B3 BO15 1.8329 .
B3 BO14 1.8585 .
B3 BO3 1.9309 .
B3 BO1 1.9862 .
B3 BO4 2.0352 .
B4 BO16 1.8173 .
B4 BO11 1.8340 .
B4 BO10 1.8464 .
B4 BO4 1.9715 .
B4 BO3 1.9735 .
B4 BO2 2.0253 .
B6 BO7 1.7072 .
B6 BO8 1.7292 .
B6 BO19 1.7414 .
B6 BO20 1.7545 .
B7 BO21 1.684(3) 6_565
B7 BO10 1.7136 .
B7 BO9 1.7445 .
B7 BO17 1.7659 .
B8 BO20 1.6665 1_565
B8 BO12 1.7191 .
B8 BO11 1.7215 .
B8 BO26 1.7348 .
B9 BO14 1.7015 .
B9 BO21 1.7321 .
B9 BO13 1.7384 .
B9 BO22 1.7551 .
B10 BO15 1.7252 .
B10 BO16 1.7665 .
B10 BO18 1.7833 .
B10 BO23 1.789(15) .
B11 BO19 1.7294 .
B11 BO17 1.7395 .
B11 BO24 1.7413 .
B11 BO18 1.7418 .
B13 BO26 1.7132 .
B13 BO28 1.7343 .
B13 BO22 1.7428 .
B13 BO25 1.779(17) .
BO5 B5 1.803(12) .
BO6 B5 1.843(7) .
BO20 B8 1.6665 1_545
BO21 B7 1.684(3) 6_566
BO24 B12 1.751(16) 6_565
BO23 B12 1.751(17) 7_566
BO25 B12 1.768(19) .
BO27 B12 1.773(19) 6_565
B5 BO5 1.803(12) 2
B5 BO6 1.843(7) 2
B12 BO24 1.751(16) 6_566
B12 BO23 1.751(18) 7_566
B12 BO27 1.77(2) 6_566
