#------------------------------------------------------------------------------
#$Date: 2020-02-04 22:31:26 +0200 (Tue, 04 Feb 2020) $
#$Revision: 247707 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/30/7703007.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_7703007
loop_
_publ_author_name
'Xu, Hui'
'Liu, Xing-Man'
'Su, Tan'
'Chen, Wei-Chao'
'Su, Zhong-Min'
_publ_section_title
;
 Two Ni/Co-substituted sandwich-type germanomolybdates based on an
 unprecedented trivacant polyanion
 [α-GeMo₁₀O₃₆]⁸.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              977
_journal_page_last               982
_journal_paper_doi               10.1039/c9dt04433g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety
'Ge2 H4 Mo20 Ni4 O74, C12 H36 N24 Ni3 O6, 10(H2 O)'
_chemical_formula_sum            'C12 H60 Ge2 Mo20 N24 Ni7 O90'
_chemical_formula_weight         4455.69
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2019-10-21
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-10-28 deposited with the CCDC.	2019-12-17 downloaded from the CCDC.
;
_cell_angle_alpha                110.716(2)
_cell_angle_beta                 98.574(2)
_cell_angle_gamma                112.773(2)
_cell_formula_units_Z            1
_cell_length_a                   13.9330(19)
_cell_length_b                   14.2147(19)
_cell_length_c                   14.591(2)
_cell_measurement_reflns_used    5368
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.259
_cell_measurement_theta_min      2.510
_cell_volume                     2351.2(6)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD Area Detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_av_unetI/netI     0.0489
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            17517
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.322
_diffrn_reflns_theta_min         1.680
_exptl_absorpt_coefficient_mu    4.692
_exptl_absorpt_correction_T_max  0.472
_exptl_absorpt_correction_T_min  0.319
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'pale green'
_exptl_crystal_colour_primary    'pale green'
_exptl_crystal_density_diffrn    3.147
_exptl_crystal_description       block
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.355
_refine_diff_density_min         -1.125
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     720
_refine_ls_number_reflns         11563
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0380P)²+1.8274P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0893
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9154
_reflns_number_total             11710
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt04433g2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7703007--7703008.cif.'
_cod_database_code               7703007
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.521
_shelx_estimated_absorpt_t_min   0.353
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H1WA,H1WB} of O1W, {H5WA,H5WB} of O5W, All N(H,H) groups
 At 1.5 times of:
  {H2WA,H2WB} of O2W, {H3WA,H3WB} of O3W, {H10A,H10B} of O10W, {H6WA,H6WB} of
  O6W, {H8WA,H8WB} of O8W, {H9WA,H9WB} of O9W, {H4WA,H4WB} of O4W, {H7WA,H7WB}
  of O7W, {H7WC,H7WD} of O7WA
2. Uiso/Uaniso restraints and constraints
Uanis(O7W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O7WA) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O9W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O8W) \\sim Ueq, Uanis(O9W) \\sim Ueq, Uanis(O6W) \\sim Ueq, Uanis(O4W)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Sof(O7WA)=Sof(H7WC)=Sof(H7WD)=1-FVAR(1)
 Sof(O7W)=Sof(H7WA)=Sof(H7WB)=FVAR(1)
 Fixed Sof: O8W(0.5) H8WA(0.5) H8WB(0.5) O9W(0.5) H9WA(0.5) H9WB(0.5)
4.a Riding coordinates:
 O10W(H10A,H10B), O1W(H1WA,H1WB), O2W(H2WA,H2WB), O4W(H4WA,H4WB), O5W(H5WA,
 H5WB), O6W(H6WA,H6WB), O7W(H7WA,H7WB), O7WA(H7WC,H7WD), O8W(H8WA,H8WB),
 O9W(H9WA,H9WB)
4.b Rotating group:
 O3W(H3WA,H3WB)
4.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C6(H6)
4.d X=CH2 refined with riding coordinates:
 N2(H2A,H2B), N3(H3A,H3B), N4(H4A,H4B)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo -0.04186(4) 0.55411(4) 0.19648(3) 0.01507(10) Uani 1 1 d . . . . .
Mo2 Mo 0.00199(3) 0.70901(4) 0.46621(3) 0.01332(9) Uani 1 1 d . . . . .
Mo3 Mo 0.12656(3) 0.91945(4) 0.17514(3) 0.01463(9) Uani 1 1 d . . . . .
Mo4 Mo 0.27636(3) 1.29527(4) 0.60745(3) 0.01369(9) Uani 1 1 d . . . . .
Mo5 Mo -0.09878(4) 0.66706(4) 0.01159(3) 0.01491(9) Uani 1 1 d . . . . .
Mo6 Mo 0.11241(4) 1.08521(4) 0.88796(3) 0.01492(10) Uani 1 1 d . . . . .
Mo7 Mo 0.32308(3) 1.19939(4) 0.77854(3) 0.01473(9) Uani 1 1 d . . . . .
Mo8 Mo -0.31596(3) 0.55084(4) 0.12434(3) 0.01513(10) Uani 1 1 d . . . . .
Mo9 Mo 0.18373(3) 0.80868(4) 0.35685(3) 0.01384(9) Uani 1 1 d . . . . .
Mo10 Mo -0.23078(4) 0.48450(4) 0.30340(4) 0.01793(10) Uani 1 1 d . . . . .
Ge1 Ge 0.06534(4) 1.18678(4) 0.70665(4) 0.01008(10) Uani 1 1 d . . . . .
Ni1 Ni 0.11378(5) 1.00187(5) 0.53074(5) 0.01300(13) Uani 1 1 d . . . . .
Ni2 Ni -0.06346(5) 0.90814(5) 0.62560(5) 0.01461(14) Uani 1 1 d . . . . .
O1 O -0.2509(4) 0.4646(3) 0.4112(3) 0.0313(10) Uani 1 1 d . . . . .
O2 O -0.4097(3) 0.4124(3) 0.0478(3) 0.0251(9) Uani 1 1 d . . . . .
O3 O -0.1368(3) 0.5672(3) -0.1104(3) 0.0239(9) Uani 1 1 d . . . . .
O4 O 0.1600(3) 1.0362(3) 0.9650(3) 0.0243(9) Uani 1 1 d . . . . .
O5 O 0.3134(3) 0.8229(3) 0.3845(3) 0.0247(9) Uani 1 1 d . . . . .
O6 O 0.3430(3) 1.3503(3) 0.5360(3) 0.0264(9) Uani 1 1 d . . . . .
O7 O -0.0707(3) 0.4157(3) 0.1369(3) 0.0234(8) Uani 1 1 d . . . . .
O8 O -0.0501(3) 0.5961(3) 0.0935(3) 0.0190(8) Uani 1 1 d . . . . .
O9 O 0.2419(3) 0.9728(3) 0.1451(3) 0.0234(8) Uani 1 1 d . . . . .
O10 O 0.1659(3) 0.8303(3) 0.2397(3) 0.0195(8) Uani 1 1 d . . . . .
O11 O -0.1889(3) 0.5394(3) 0.1881(3) 0.0173(8) Uani 1 1 d . . . . .
O12 O 0.1063(3) 0.6311(3) 0.2613(3) 0.0182(8) Uani 1 1 d . . . . .
O13 O 0.3743(3) 1.2700(3) 0.6786(3) 0.0205(8) Uani 1 1 d . . . . .
O14 O 0.1508(3) 1.0270(3) 0.2950(3) 0.0194(8) Uani 1 1 d . . . . .
O15 O -0.0020(3) 1.2601(3) 0.6781(3) 0.0129(7) Uani 1 1 d . . . . .
O10W O -0.1407(3) 0.7617(3) 0.6401(3) 0.0252(9) Uani 1 1 d . . . . .
H10A H -0.208035 0.718720 0.596573 0.038 Uiso 1 1 d R . . . .
H10B H -0.105385 0.721770 0.623603 0.038 Uiso 1 1 d R . . . .
O17 O -0.2867(3) 0.3475(3) 0.2091(3) 0.0296(10) Uani 1 1 d . . . . .
O18 O 0.1386(3) 0.7363(3) 0.4557(3) 0.0184(8) Uani 1 1 d . . . . .
O19 O 0.2523(3) 1.1735(3) 0.8719(3) 0.0172(8) Uani 1 1 d . . . . .
O20 O -0.0040(3) 0.6506(3) 0.5495(3) 0.0231(8) Uani 1 1 d . . . . .
O21 O 0.0581(3) 0.9733(3) 0.7617(3) 0.0200(8) Uani 1 1 d . . . . .
O22 O -0.3366(3) 0.5372(3) 0.2644(3) 0.0201(8) Uani 1 1 d . . . . .
O23 O 0.4387(3) 1.1910(3) 0.8177(3) 0.0259(9) Uani 1 1 d . . . . .
O24 O 0.2076(3) 1.2626(3) 0.7338(3) 0.0130(7) Uani 1 1 d . . . . .
O25 O 0.1974(3) 0.9361(3) 0.4480(3) 0.0169(7) Uani 1 1 d . . . . .
O26 O -0.0699(3) 0.5414(3) 0.3330(3) 0.0167(7) Uani 1 1 d . . . . .
O27 O 0.0447(3) 0.7619(3) 0.0404(3) 0.0180(8) Uani 1 1 d . . . . .
O28 O 0.0324(3) 0.9521(3) 0.0967(3) 0.0174(8) Uani 1 1 d . . . . .
O29 O -0.3974(3) 0.6247(3) 0.1295(3) 0.0198(8) Uani 1 1 d . . . . .
O30 O -0.1549(3) 0.7585(3) -0.0098(3) 0.0166(7) Uani 1 1 d . . . . .
O31 O 0.0300(3) 0.8533(3) 0.5427(3) 0.0173(7) Uani 1 1 d . . . . .
O32 O -0.2411(3) 0.5927(3) 0.0433(3) 0.0184(8) Uani 1 1 d . . . . .
O33 O -0.1536(3) 0.6672(3) 0.4092(3) 0.0156(7) Uani 1 1 d . . . . .
O34 O 0.1803(3) 1.1497(3) 0.5149(3) 0.0165(7) Uani 1 1 d . . . . .
O35 O 0.0113(3) 1.0505(3) 0.6027(3) 0.0120(7) Uani 1 1 d . . . . .
O36 O 0.2377(3) 1.0683(3) 0.6660(3) 0.0188(8) Uani 1 1 d . . . . .
O37 O 0.0465(3) 1.1795(3) 0.8207(3) 0.0126(7) Uani 1 1 d . . . . .
Ni3 Ni 0.500000 1.000000 1.000000 0.01447(19) Uani 1 2 d S T P . .
Ni4 Ni 0.44405(6) 0.89363(6) 0.71470(5) 0.02050(15) Uani 1 1 d . . . . .
O1W O 0.3410(4) 0.7379(4) 0.5865(3) 0.0466(13) Uani 1 1 d . . . . .
H1WA H 0.283469 0.737800 0.557141 0.056 Uiso 1 1 d R . . . .
H1WB H 0.321799 0.683890 0.603871 0.056 Uiso 1 1 d R . . . .
O2W O 0.3821(4) 0.9575(4) 0.6249(3) 0.0367(11) Uani 1 1 d . . . . .
H2WA H 0.363268 0.928277 0.556700 0.055 Uiso 1 1 d R . . . .
H2WB H 0.341258 0.988477 0.647950 0.055 Uiso 1 1 d R . . . .
O3W O 0.5634(4) 0.8984(4) 0.6410(3) 0.0410(12) Uani 1 1 d . . . . .
H3WA H 0.628894 0.958620 0.681002 0.061 Uiso 1 1 d GR . . . .
H3WB H 0.548462 0.910341 0.586151 0.061 Uiso 1 1 d GR . . . .
N1 N 0.5685(4) 0.7322(4) 0.8538(4) 0.0282(11) Uani 1 1 d . . . . .
N2 N 0.0565(4) 0.7648(4) 0.8063(4) 0.0366(13) Uani 1 1 d . . . . .
H2A H 0.008168 0.722026 0.745118 0.044 Uiso 1 1 calc R . . . .
H2B H 0.036040 0.773301 0.860111 0.044 Uiso 1 1 calc R . . . .
N3 N 0.7611(4) 1.3400(4) 0.9104(4) 0.0376(14) Uani 1 1 d . . . . .
H3A H 0.776448 1.349546 0.858316 0.045 Uiso 1 1 calc R . . . .
H3B H 0.795686 1.395613 0.972085 0.045 Uiso 1 1 calc R . . . .
N4 N 0.6022(5) 0.6486(5) 0.8512(5) 0.0460(16) Uani 1 1 d . . . . .
H4A H 0.623276 0.644303 0.907349 0.055 Uiso 1 1 calc R . . . .
H4B H 0.601282 0.602498 0.793420 0.055 Uiso 1 1 calc R . . . .
N5 N 0.1685(3) 0.8207(4) 0.8182(4) 0.0234(10) Uani 1 1 d . . . . .
N6 N 0.5082(4) 0.8288(4) 0.8000(4) 0.0230(10) Uani 1 1 d . . . . .
N7 N 0.5724(3) 1.1011(4) 0.9285(3) 0.0165(9) Uani 1 1 d . . . . .
N8 N 0.5287(3) 0.8700(4) 0.9059(3) 0.0186(9) Uani 1 1 d . . . . .
N9 N 0.5528(3) 1.0567(4) 0.8235(3) 0.0153(9) Uani 1 1 d . . . . .
N10 N 0.6793(3) 1.2332(4) 0.8946(3) 0.0182(9) Uani 1 1 d . . . . .
N11 N 0.3470(3) 0.9259(4) 0.8899(3) 0.0179(9) Uani 1 1 d . . . . .
N12 N 0.3220(4) 0.8794(4) 0.7838(3) 0.0223(10) Uani 1 1 d . . . . .
C1 C 0.2149(5) 0.8174(5) 0.7441(5) 0.0286(13) Uani 1 1 d . . . . .
H1 H 0.175896 0.776234 0.673278 0.034 Uiso 1 1 calc R . . . .
C2 C 0.5649(5) 0.8099(5) 0.9363(5) 0.0251(12) Uani 1 1 d . . . . .
H2 H 0.584722 0.819635 1.004003 0.030 Uiso 1 1 calc R . . . .
C3 C 0.5345(5) 0.7468(5) 0.7712(5) 0.0271(13) Uani 1 1 d . . . . .
H3 H 0.530287 0.704906 0.703927 0.033 Uiso 1 1 calc R . . . .
C4 C 0.2539(4) 0.8908(5) 0.9092(4) 0.0224(12) Uani 1 1 d . . . . .
H4 H 0.247217 0.910778 0.975033 0.027 Uiso 1 1 calc R . . . .
C5 C 0.6171(4) 1.1373(4) 0.8050(4) 0.0196(11) Uani 1 1 d . . . . .
H5 H 0.619786 1.129823 0.739589 0.023 Uiso 1 1 calc R . . . .
C6 C 0.6478(4) 1.2083(4) 0.9699(4) 0.0179(11) Uani 1 1 d . . . . .
H6 H 0.675376 1.259354 1.040115 0.021 Uiso 1 1 calc R . . . .
O4W O -0.1469(6) 0.8107(4) 0.8280(4) 0.075(2) Uani 1 1 d . U . . .
H4WA H -0.158748 0.771336 0.763994 0.112 Uiso 1 1 d R . . . .
H4WB H -0.162438 0.769216 0.859234 0.112 Uiso 1 1 d R . . . .
O5W O 0.1336(5) 0.4831(6) 0.3611(5) 0.083(2) Uani 1 1 d . . . . .
H5WA H 0.111823 0.519847 0.336081 0.099 Uiso 1 1 d R . . . .
H5WB H 0.085113 0.449127 0.383591 0.099 Uiso 1 1 d R . . . .
O6W O -0.6129(5) 0.5832(6) 0.1884(7) 0.114(3) Uani 1 1 d . U . . .
H6WA H -0.682685 0.551559 0.176886 0.171 Uiso 1 1 d R . . . .
H6WB H -0.575035 0.580719 0.145766 0.171 Uiso 1 1 d R . . . .
O7W O 0.5349(7) 0.8637(10) 0.4444(6) 0.058(4) Uani 0.650(16) 1 d . U . A 1
H7WA H 0.555093 0.825163 0.402831 0.087 Uiso 0.650(16) 1 d R . . A 1
H7WB H 0.467413 0.841493 0.419541 0.087 Uiso 0.650(16) 1 d R . . A 1
O7WA O 0.4799(14) 0.7639(18) 0.4339(13) 0.063(7) Uani 0.350(16) 1 d . U . A 2
H7WC H 0.511766 0.756572 0.388317 0.095 Uiso 0.350(16) 1 d R . . A 2
H7WD H 0.428246 0.779362 0.419517 0.095 Uiso 0.350(16) 1 d R . . A 2
O8W O -0.3255(9) 0.5237(11) 0.6751(9) 0.077(4) Uani 0.5 1 d . U . . .
H8WA H -0.276610 0.505934 0.676215 0.116 Uiso 0.5 1 d R . . . .
H8WB H -0.351420 0.509014 0.612275 0.116 Uiso 0.5 1 d R . . . .
O9W O -0.4715(12) 0.4187(13) 0.4715(11) 0.134(7) Uani 0.5 1 d . U . B -1
H9WA H -0.465852 0.483277 0.480510 0.201 Uiso 0.5 1 d R . . B -1
H9WB H -0.517912 0.403087 0.505390 0.201 Uiso 0.5 1 d R . . B -1
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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'
Ni Ni 0.3393 1.1124 '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'
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
O7 Mo1 O8 104.85(18) . .
O7 Mo1 O11 101.72(16) . .
O7 Mo1 O12 104.04(17) . .
O7 Mo1 O15 164.05(16) . 2_576
O7 Mo1 O26 92.29(16) . .
O8 Mo1 O11 86.58(16) . .
O8 Mo1 O12 100.06(16) . .
O8 Mo1 O15 91.10(14) . 2_576
O8 Mo1 O26 156.39(15) . .
O11 Mo1 O15 78.45(13) . 2_576
O11 Mo1 O26 73.93(14) . .
O12 Mo1 O11 150.66(15) . .
O12 Mo1 O15 72.92(13) . 2_576
O12 Mo1 O26 91.16(15) . .
O26 Mo1 O15 72.31(12) . 2_576
O18 Mo2 O15 75.15(14) . 2_576
O18 Mo2 O26 89.42(14) . .
O18 Mo2 O33 152.70(16) . .
O20 Mo2 O15 164.27(15) . 2_576
O20 Mo2 O18 101.17(17) . .
O20 Mo2 O26 91.39(16) . .
O20 Mo2 O31 105.19(17) . .
O20 Mo2 O33 101.44(16) . .
O26 Mo2 O15 73.43(12) . 2_576
O31 Mo2 O15 90.53(14) . 2_576
O31 Mo2 O18 99.67(16) . .
O31 Mo2 O26 159.00(15) . .
O31 Mo2 O33 88.95(15) . .
O33 Mo2 O15 78.94(13) . 2_576
O33 Mo2 O26 74.95(13) . .
O9 Mo3 O10 98.57(17) . .
O9 Mo3 O14 104.66(18) . .
O9 Mo3 O27 95.85(16) . .
O9 Mo3 O28 100.55(17) . .
O9 Mo3 O37 167.87(15) . 2_576
O10 Mo3 O27 83.74(14) . .
O10 Mo3 O37 84.21(13) . 2_576
O14 Mo3 O10 92.93(16) . .
O14 Mo3 O27 159.49(15) . .
O14 Mo3 O28 94.97(16) . .
O14 Mo3 O37 86.91(14) . 2_576
O27 Mo3 O37 72.63(13) . 2_576
O28 Mo3 O10 156.71(15) . .
O28 Mo3 O27 81.21(14) . .
O28 Mo3 O37 74.40(13) . 2_576
O6 Mo4 O13 103.83(18) . .
O6 Mo4 O22 92.88(16) . 2_576
O6 Mo4 O24 166.98(16) . .
O6 Mo4 O33 99.56(17) . 2_576
O6 Mo4 O34 103.59(17) . .
O13 Mo4 O22 90.86(15) . 2_576
O13 Mo4 O24 75.25(14) . .
O13 Mo4 O33 153.02(15) . 2_576
O22 Mo4 O24 74.21(13) 2_576 .
O33 Mo4 O22 74.60(14) 2_576 2_576
O33 Mo4 O24 78.92(13) 2_576 .
O34 Mo4 O13 98.93(16) . .
O34 Mo4 O22 158.12(15) . 2_576
O34 Mo4 O24 89.33(14) . .
O34 Mo4 O33 88.35(15) . 2_576
O3 Mo5 O8 101.08(17) . .
O3 Mo5 O27 103.81(17) . .
O3 Mo5 O30 101.35(17) . .
O3 Mo5 O32 98.34(16) . .
O3 Mo5 O37 174.88(16) . 2_576
O8 Mo5 O32 80.34(14) . .
O8 Mo5 O37 83.98(13) . 2_576
O27 Mo5 O8 88.33(15) . .
O27 Mo5 O30 97.61(16) . .
O27 Mo5 O32 156.71(15) . .
O27 Mo5 O37 75.39(13) . 2_576
O30 Mo5 O8 154.65(15) . .
O30 Mo5 O32 84.87(15) . .
O30 Mo5 O37 73.85(13) . 2_576
O32 Mo5 O37 83.18(12) . 2_576
O4 Mo6 O19 98.65(17) . .
O4 Mo6 O21 105.05(18) . .
O4 Mo6 O28 99.45(17) . 2_576
O4 Mo6 O30 94.66(16) . 2_576
O4 Mo6 O37 166.08(15) . .
O19 Mo6 O30 83.55(14) . 2_576
O19 Mo6 O37 85.44(13) . .
O21 Mo6 O19 94.61(16) . .
O21 Mo6 O28 93.18(16) . 2_576
O21 Mo6 O30 160.25(15) . 2_576
O21 Mo6 O37 87.78(15) . .
O28 Mo6 O19 157.69(15) 2_576 .
O28 Mo6 O30 82.09(14) 2_576 2_576
O28 Mo6 O37 74.00(13) 2_576 .
O30 Mo6 O37 72.48(13) 2_576 .
O13 Mo7 O24 71.56(13) . .
O19 Mo7 O13 157.53(15) . .
O19 Mo7 O24 87.34(14) . .
O19 Mo7 O29 90.79(15) . 2_576
O23 Mo7 O13 95.99(18) . .
O23 Mo7 O19 102.75(18) . .
O23 Mo7 O24 162.56(17) . .
O23 Mo7 O29 93.82(17) . 2_576
O23 Mo7 O36 104.03(18) . .
O29 Mo7 O13 75.56(15) 2_576 .
O29 Mo7 O24 71.60(13) 2_576 .
O36 Mo7 O13 87.03(16) . .
O36 Mo7 O19 100.14(16) . .
O36 Mo7 O24 87.85(14) . .
O36 Mo7 O29 156.31(16) . 2_576
O2 Mo8 O11 102.31(17) . .
O2 Mo8 O22 92.31(17) . .
O2 Mo8 O24 164.17(16) . 2_576
O2 Mo8 O29 103.37(17) . .
O2 Mo8 O32 104.56(18) . .
O11 Mo8 O22 73.35(14) . .
O11 Mo8 O24 78.51(13) . 2_576
O22 Mo8 O24 72.64(13) . 2_576
O29 Mo8 O11 150.57(15) . .
O29 Mo8 O22 91.44(16) . .
O29 Mo8 O24 72.86(13) . 2_576
O32 Mo8 O11 86.57(16) . .
O32 Mo8 O22 156.22(14) . .
O32 Mo8 O24 91.27(14) . 2_576
O32 Mo8 O29 100.59(17) . .
O5 Mo9 O10 103.23(18) . .
O5 Mo9 O12 94.35(16) . .
O5 Mo9 O15 162.64(16) . 2_576
O5 Mo9 O18 94.84(17) . .
O5 Mo9 O25 104.75(17) . .
O10 Mo9 O12 89.12(15) . .
O10 Mo9 O15 87.10(14) . 2_576
O10 Mo9 O18 157.12(15) . .
O12 Mo9 O15 71.60(12) . 2_576
O18 Mo9 O12 75.48(14) . .
O18 Mo9 O15 72.16(13) . 2_576
O25 Mo9 O10 100.15(17) . .
O25 Mo9 O12 156.07(15) . .
O25 Mo9 O15 86.77(14) . 2_576
O25 Mo9 O18 88.48(15) . .
O1 Mo10 O11 170.29(16) . .
O1 Mo10 O22 105.53(18) . .
O1 Mo10 O26 102.74(18) . .
O1 Mo10 O33 85.29(16) . .
O11 Mo10 O33 85.13(13) . .
O17 Mo10 O1 102.08(19) . .
O17 Mo10 O11 87.50(17) . .
O17 Mo10 O22 103.79(18) . .
O17 Mo10 O26 103.37(17) . .
O17 Mo10 O33 172.62(17) . .
O22 Mo10 O11 73.20(14) . .
O22 Mo10 O33 74.08(13) . .
O26 Mo10 O11 73.14(14) . .
O26 Mo10 O22 135.21(15) . .
O26 Mo10 O33 74.42(13) . .
O24 Ge1 O15 111.38(16) . .
O24 Ge1 O35 109.77(15) . .
O24 Ge1 O37 106.65(16) . .
O35 Ge1 O15 110.23(15) . .
O35 Ge1 O37 111.80(16) . .
O37 Ge1 O15 106.94(16) . .
O25 Ni1 O31 92.05(14) . .
O25 Ni1 O34 92.61(14) . .
O25 Ni1 O35 92.95(14) . 2_576
O25 Ni1 O35 173.03(14) . .
O25 Ni1 O36 90.40(14) . .
O31 Ni1 O35 92.60(14) . 2_576
O31 Ni1 O35 83.34(13) . .
O34 Ni1 O31 173.50(14) . .
O34 Ni1 O35 91.59(14) . .
O34 Ni1 O35 82.63(13) . 2_576
O35 Ni1 O35 82.08(14) . 2_576
O36 Ni1 O31 91.56(15) . .
O36 Ni1 O34 92.93(14) . .
O36 Ni1 O35 174.55(14) . 2_576
O36 Ni1 O35 94.93(14) . .
O14 Ni2 O31 175.54(15) 2_576 .
O14 Ni2 O34 90.58(14) 2_576 2_576
O14 Ni2 O35 92.30(14) 2_576 .
O10W Ni2 O14 89.33(15) . 2_576
O10W Ni2 O31 95.10(15) . .
O10W Ni2 O34 94.72(15) . 2_576
O10W Ni2 O35 176.99(14) . .
O21 Ni2 O14 90.48(14) . 2_576
O21 Ni2 O10W 88.92(16) . .
O21 Ni2 O31 90.14(14) . .
O21 Ni2 O34 176.22(15) . 2_576
O21 Ni2 O35 93.59(14) . .
O34 Ni2 O31 88.53(14) 2_576 .
O35 Ni2 O31 83.25(14) . .
O35 Ni2 O34 82.74(14) . 2_576
Mo1 O8 Mo5 155.0(2) . .
Mo9 O10 Mo3 144.9(2) . .
Mo1 O11 Mo8 149.4(2) . .
Mo1 O11 Mo10 104.86(15) . .
Mo8 O11 Mo10 105.72(16) . .
Mo1 O12 Mo9 119.30(17) . .
Mo4 O13 Mo7 116.40(17) . .
Mo3 O14 Ni2 138.7(2) . 2_576
Mo2 O15 Mo1 99.68(12) 2_576 2_576
Mo9 O15 Mo1 94.26(12) 2_576 2_576
Mo9 O15 Mo2 94.13(12) 2_576 2_576
Ge1 O15 Mo1 120.64(16) . 2_576
Ge1 O15 Mo2 120.37(16) . 2_576
Ge1 O15 Mo9 121.57(17) . 2_576
Ni2 O10W H10A 111.1 . .
Ni2 O10W H10B 108.5 . .
H10A O10W H10B 106.5 . .
Mo2 O18 Mo9 115.42(17) . .
Mo7 O19 Mo6 145.55(19) . .
Mo6 O21 Ni2 138.8(2) . .
Mo4 O22 Mo8 110.87(16) 2_576 .
Mo10 O22 Mo4 104.27(15) . 2_576
Mo10 O22 Mo8 104.32(16) . .
Mo4 O24 Mo8 99.25(13) . 2_576
Mo7 O24 Mo4 94.23(12) . .
Mo7 O24 Mo8 93.52(12) . 2_576
Ge1 O24 Mo4 120.35(16) . .
Ge1 O24 Mo7 122.13(17) . .
Ge1 O24 Mo8 120.93(16) . 2_576
Mo9 O25 Ni1 142.2(2) . .
Mo1 O26 Mo2 111.90(15) . .
Mo10 O26 Mo1 104.53(16) . .
Mo10 O26 Mo2 103.32(15) . .
Mo5 O27 Mo3 119.51(17) . .
Mo3 O28 Mo6 116.95(18) . 2_576
Mo8 O29 Mo7 119.88(17) . 2_576
Mo5 O30 Mo6 119.82(17) . 2_576
Mo2 O31 Ni1 131.35(19) . .
Mo2 O31 Ni2 128.14(19) . .
Ni1 O31 Ni2 96.31(14) . .
Mo8 O32 Mo5 153.7(2) . .
Mo2 O33 Mo4 152.55(18) . 2_576
Mo2 O33 Mo10 103.62(15) . .
Mo4 O33 Mo10 103.74(14) 2_576 .
Mo4 O34 Ni1 131.92(19) . .
Mo4 O34 Ni2 127.80(19) . 2_576
Ni1 O34 Ni2 97.26(14) . 2_576
Ge1 O35 Ni1 120.37(17) . .
Ge1 O35 Ni1 120.21(17) . 2_576
Ge1 O35 Ni2 119.37(18) . .
Ni1 O35 Ni1 97.93(14) . 2_576
Ni2 O35 Ni1 96.77(13) . .
Ni2 O35 Ni1 96.90(14) . 2_576
Mo7 O36 Ni1 139.8(2) . .
Mo3 O37 Mo5 92.07(12) 2_576 2_576
Mo6 O37 Mo3 91.71(12) . 2_576
Mo6 O37 Mo5 93.01(12) . 2_576
Ge1 O37 Mo3 120.92(16) . 2_576
Ge1 O37 Mo5 128.70(17) . 2_576
Ge1 O37 Mo6 121.03(16) . .
N7 Ni3 N7 180.0(2) 2_677 .
N8 Ni3 N7 90.48(17) 2_677 2_677
N8 Ni3 N7 90.48(17) . .
N8 Ni3 N7 89.52(17) 2_677 .
N8 Ni3 N7 89.52(17) . 2_677
N8 Ni3 N8 180.0 2_677 .
N11 Ni3 N7 90.73(17) . .
N11 Ni3 N7 90.73(17) 2_677 2_677
N11 Ni3 N7 89.27(17) . 2_677
N11 Ni3 N7 89.27(17) 2_677 .
N11 Ni3 N8 89.55(17) . .
N11 Ni3 N8 90.45(17) . 2_677
N11 Ni3 N8 89.55(17) 2_677 2_677
N11 Ni3 N8 90.45(17) 2_677 .
N11 Ni3 N11 180.0(3) . 2_677
O1W Ni4 O2W 83.38(18) . .
O1W Ni4 O3W 85.09(19) . .
O1W Ni4 N6 95.86(19) . .
O1W Ni4 N12 92.24(19) . .
O2W Ni4 O3W 89.5(2) . .
N6 Ni4 O2W 178.00(19) . .
N6 Ni4 O3W 88.60(19) . .
N6 Ni4 N12 90.19(19) . .
N9 Ni4 O1W 170.44(18) . .
N9 Ni4 O2W 89.70(17) . .
N9 Ni4 O3W 88.26(18) . .
N9 Ni4 N6 90.84(17) . .
N9 Ni4 N12 94.56(17) . .
N12 Ni4 O2W 91.69(19) . .
N12 Ni4 O3W 176.95(18) . .
Ni4 O1W H1WA 110.5 . .
Ni4 O1W H1WB 110.8 . .
H1WA O1W H1WB 109.0 . .
Ni4 O2W H2WA 124.8 . .
Ni4 O2W H2WB 116.5 . .
H2WA O2W H2WB 111.2 . .
Ni4 O3W H3WA 111.5 . .
Ni4 O3W H3WB 111.1 . .
H3WA O3W H3WB 102.4 . .
C2 N1 N4 127.7(6) . .
C2 N1 C3 107.2(5) . .
C3 N1 N4 125.1(5) . .
H2A N2 H2B 120.0 . .
N5 N2 H2A 120.0 . .
N5 N2 H2B 120.0 . .
H3A N3 H3B 120.0 . .
N10 N3 H3A 120.0 . .
N10 N3 H3B 120.0 . .
N1 N4 H4A 120.0 . .
N1 N4 H4B 120.0 . .
H4A N4 H4B 120.0 . .
C1 N5 N2 128.2(5) . .
C1 N5 C4 105.2(5) . .
C4 N5 N2 126.7(5) . .
N8 N6 Ni4 122.2(3) . .
C3 N6 Ni4 131.0(4) . .
C3 N6 N8 106.8(5) . .
N9 N7 Ni3 122.5(3) . .
C6 N7 Ni3 130.0(4) . .
C6 N7 N9 107.2(4) . .
N6 N8 Ni3 126.2(3) . .
C2 N8 Ni3 126.0(4) . .
C2 N8 N6 107.7(5) . .
N7 N9 Ni4 126.8(3) . .
C5 N9 Ni4 125.5(4) . .
C5 N9 N7 107.7(4) . .
C5 N10 N3 128.6(5) . .
C5 N10 C6 106.1(4) . .
C6 N10 N3 125.4(5) . .
N12 N11 Ni3 127.0(3) . .
C4 N11 Ni3 123.6(4) . .
C4 N11 N12 107.6(4) . .
N11 N12 Ni4 121.9(3) . .
C1 N12 Ni4 131.0(4) . .
C1 N12 N11 106.4(5) . .
N5 C1 H1 124.3 . .
N12 C1 N5 111.3(5) . .
N12 C1 H1 124.3 . .
N1 C2 H2 125.6 . .
N8 C2 N1 108.8(5) . .
N8 C2 H2 125.6 . .
N1 C3 H3 125.3 . .
N6 C3 N1 109.5(5) . .
N6 C3 H3 125.3 . .
N5 C4 H4 125.3 . .
N11 C4 N5 109.4(5) . .
N11 C4 H4 125.3 . .
N9 C5 N10 109.7(5) . .
N9 C5 H5 125.1 . .
N10 C5 H5 125.1 . .
N7 C6 N10 109.3(5) . .
N7 C6 H6 125.4 . .
N10 C6 H6 125.4 . .
H4WA O4W H4WB 111.7 . .
H5WA O5W H5WB 108.8 . .
H6WA O6W H6WB 131.1 . .
H7WA O7W H7WB 110.7 . .
H7WC O7WA H7WD 113.1 . .
H8WA O8W H8WB 104.6 . .
H9WA O9W H9WB 97.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O7 1.692(4) .
Mo1 O8 1.807(4) .
Mo1 O11 1.957(3) .
Mo1 O12 1.813(3) .
Mo1 O15 2.387(3) 2_576
Mo1 O26 2.141(4) .
Mo2 O15 2.298(3) 2_576
Mo2 O18 1.832(4) .
Mo2 O20 1.693(4) .
Mo2 O26 2.180(3) .
Mo2 O31 1.799(3) .
Mo2 O33 1.964(3) .
Mo3 O9 1.689(4) .
Mo3 O10 2.006(4) .
Mo3 O14 1.745(4) .
Mo3 O27 2.103(3) .
Mo3 O28 1.909(3) .
Mo3 O37 2.297(3) 2_576
Mo4 O6 1.692(4) .
Mo4 O13 1.815(4) .
Mo4 O22 2.170(4) 2_576
Mo4 O24 2.306(3) .
Mo4 O33 1.986(3) 2_576
Mo4 O34 1.799(3) .
Mo5 O3 1.678(4) .
Mo5 O8 2.011(4) .
Mo5 O27 1.804(4) .
Mo5 O30 1.844(3) .
Mo5 O32 2.064(4) .
Mo5 O37 2.396(3) 2_576
Mo6 O4 1.697(4) .
Mo6 O19 1.970(4) .
Mo6 O21 1.754(4) .
Mo6 O28 1.948(3) 2_576
Mo6 O30 2.079(3) 2_576
Mo6 O37 2.285(3) .
Mo7 O13 2.105(4) .
Mo7 O19 1.854(4) .
Mo7 O23 1.690(4) .
Mo7 O24 2.245(3) .
Mo7 O29 2.082(3) 2_576
Mo7 O36 1.767(4) .
Mo8 O2 1.687(4) .
Mo8 O11 1.966(3) .
Mo8 O22 2.170(4) .
Mo8 O24 2.384(3) 2_576
Mo8 O29 1.812(4) .
Mo8 O32 1.796(4) .
Mo9 O5 1.706(4) .
Mo9 O10 1.839(4) .
Mo9 O12 2.106(3) .
Mo9 O15 2.230(3) 2_576
Mo9 O18 2.087(4) .
Mo9 O25 1.743(3) .
Mo10 O1 1.737(4) .
Mo10 O11 2.156(4) .
Mo10 O17 1.704(4) .
Mo10 O22 1.991(4) .
Mo10 O26 1.982(4) .
Mo10 O33 2.189(3) .
Ge1 O15 1.757(3) .
Ge1 O24 1.749(3) .
Ge1 O35 1.753(3) .
Ge1 O37 1.755(3) .
Ni1 O25 2.038(3) .
Ni1 O31 2.065(4) .
Ni1 O34 2.056(4) .
Ni1 O35 2.077(3) .
Ni1 O35 2.083(3) 2_576
Ni1 O36 2.042(3) .
Ni2 O14 2.050(4) 2_576
Ni2 O10W 2.045(4) .
Ni2 O21 2.037(4) .
Ni2 O31 2.086(4) .
Ni2 O34 2.075(3) 2_576
Ni2 O35 2.060(3) .
O10W H10A 0.8720 .
O10W H10B 0.8822 .
Ni3 N7 2.103(4) .
Ni3 N7 2.103(4) 2_677
Ni3 N8 2.098(4) 2_677
Ni3 N8 2.098(4) .
Ni3 N11 2.068(4) 2_677
Ni3 N11 2.068(4) .
Ni4 O1W 2.067(4) .
Ni4 O2W 2.097(4) .
Ni4 O3W 2.103(4) .
Ni4 N6 2.077(5) .
Ni4 N9 2.037(4) .
Ni4 N12 2.084(5) .
O1W H1WA 0.8498 .
O1W H1WB 0.8505 .
O2W H2WA 0.8809 .
O2W H2WB 0.8824 .
O3W H3WA 0.8883 .
O3W H3WB 0.8864 .
N1 N4 1.427(7) .
N1 C2 1.340(7) .
N1 C3 1.342(8) .
N2 H2A 0.8600 .
N2 H2B 0.8600 .
N2 N5 1.400(6) .
N3 H3A 0.8600 .
N3 H3B 0.8600 .
N3 N10 1.412(6) .
N4 H4A 0.8600 .
N4 H4B 0.8600 .
N5 C1 1.336(8) .
N5 C4 1.359(7) .
N6 N8 1.382(6) .
N6 C3 1.304(7) .
N7 N9 1.370(6) .
N7 C6 1.308(6) .
N8 C2 1.308(7) .
N9 C5 1.299(7) .
N10 C5 1.343(6) .
N10 C6 1.351(7) .
N11 N12 1.375(6) .
N11 C4 1.311(7) .
N12 C1 1.304(7) .
C1 H1 0.9300 .
C2 H2 0.9300 .
C3 H3 0.9300 .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 H6 0.9300 .
O4W H4WA 0.8514 .
O4W H4WB 0.8506 .
O5W H5WA 0.8497 .
O5W H5WB 0.8499 .
O6W H6WA 0.8579 .
O6W H6WB 0.8729 .
O7W H7WA 0.8262 .
O7W H7WB 0.8383 .
O7WA H7WC 0.8518 .
O7WA H7WD 0.8483 .
O8W H8WA 0.8129 .
O8W H8WB 0.8501 .
O9W H9WA 0.8500 .
O9W H9WB 0.8798 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O1W H1WB O1 0.85 1.86 2.673(6) 158.5 2_566 yes
O3W H3WB O7W 0.89 1.89 2.672(9) 146.1 . yes
O4W H4WA O10W 0.85 1.83 2.603(6) 150.7 . yes
O4W H4WB O30 0.85 1.96 2.724(6) 148.9 1_556 yes
O5W H5WB O20 0.85 2.08 2.893(8) 161.3 2_566 yes
O7W H7WB O5 0.84 2.02 2.841(9) 167.1 . yes
O7WA H7WC O13 0.85 2.07 2.871(15) 156.9 2_676 yes
O7WA H7WD O5 0.85 1.99 2.835(15) 176.6 . yes
O8W H8WA O5W 0.81 2.11 2.833(12) 148.8 2_566 yes
O8W H8WB O9W 0.85 2.03 2.81(2) 152.8 . yes
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_4
O2 Mo8 O29 Mo7 176.9(2) . 2_576
O2 Mo8 O32 Mo5 -131.4(4) . .
O3 Mo5 O27 Mo3 169.2(2) . .
O3 Mo5 O30 Mo6 -170.1(2) . 2_576
O4 Mo6 O21 Ni2 149.5(3) . .
O5 Mo9 O10 Mo3 -126.7(3) . .
O5 Mo9 O25 Ni1 -149.1(3) . .
O6 Mo4 O13 Mo7 -179.70(19) . .
O6 Mo4 O34 Ni1 150.0(2) . .
O6 Mo4 O34 Ni2 -54.3(3) . 2_576
O7 Mo1 O8 Mo5 131.6(5) . .
O7 Mo1 O12 Mo9 -175.7(2) . .
O8 Mo1 O12 Mo9 76.0(2) . .
O8 Mo5 O27 Mo3 -89.8(2) . .
O8 Mo5 O30 Mo6 38.0(5) . 2_576
O9 Mo3 O14 Ni2 146.7(3) . 2_576
O10 Mo3 O14 Ni2 -113.7(3) . 2_576
O10 Mo9 O25 Ni1 104.1(3) . .
O11 Mo1 O8 Mo5 30.4(5) . .
O11 Mo1 O12 Mo9 -25.0(4) . .
O11 Mo8 O29 Mo7 26.7(5) . 2_576
O11 Mo8 O32 Mo5 -29.6(5) . .
O12 Mo1 O8 Mo5 -120.9(5) . .
O12 Mo9 O10 Mo3 139.1(3) . .
O12 Mo9 O25 Ni1 -7.3(6) . .
O13 Mo4 O34 Ni1 43.3(3) . .
O13 Mo4 O34 Ni2 -161.0(2) . 2_576
O13 Mo7 O19 Mo6 84.1(5) . .
O13 Mo7 O36 Ni1 -57.1(3) . .
O15 Mo1 O8 Mo5 -48.0(5) 2_576 .
O15 Mo1 O12 Mo9 -12.00(17) 2_576 .
O15 Mo2 O18 Mo9 15.05(15) 2_576 .
O15 Mo2 O31 Ni1 -29.8(2) 2_576 .
O15 Mo2 O31 Ni2 121.5(2) 2_576 .
O15 Mo9 O10 Mo3 67.5(3) 2_576 .
O15 Mo9 O25 Ni1 17.7(3) 2_576 .
O15 Ge1 O24 Mo4 -63.9(2) . .
O15 Ge1 O24 Mo7 178.17(17) . .
O15 Ge1 O24 Mo8 60.7(2) . 2_576
O15 Ge1 O35 Ni1 0.7(2) . 2_576
O15 Ge1 O35 Ni1 122.42(19) . .
O15 Ge1 O35 Ni2 -118.47(19) . .
O15 Ge1 O37 Mo3 63.7(2) . 2_576
O15 Ge1 O37 Mo5 -58.5(2) . 2_576
O15 Ge1 O37 Mo6 177.37(16) . .
O18 Mo2 O31 Ni1 45.3(3) . .
O18 Mo2 O31 Ni2 -163.5(2) . .
O18 Mo9 O10 Mo3 92.1(5) . .
O18 Mo9 O25 Ni1 -54.5(3) . .
O19 Mo6 O21 Ni2 -110.2(3) . .
O19 Mo7 O36 Ni1 101.4(3) . .
O20 Mo2 O18 Mo9 179.35(18) . .
O20 Mo2 O31 Ni1 149.7(2) . .
O20 Mo2 O31 Ni2 -59.0(3) . .
O22 Mo4 O13 Mo7 87.13(19) 2_576 .
O22 Mo4 O34 Ni1 -72.3(5) 2_576 .
O22 Mo4 O34 Ni2 83.4(5) 2_576 2_576
O22 Mo8 O29 Mo7 84.1(2) . 2_576
O22 Mo8 O32 Mo5 2.5(7) . .
O23 Mo7 O19 Mo6 -130.1(4) . .
O23 Mo7 O36 Ni1 -152.6(3) . .
O24 Mo4 O13 Mo7 13.71(16) . .
O24 Mo4 O34 Ni1 -31.6(2) . .
O24 Mo4 O34 Ni2 124.0(2) . 2_576
O24 Mo7 O19 Mo6 64.3(3) . .
O24 Mo7 O36 Ni1 14.5(3) . .
O24 Mo8 O29 Mo7 12.81(18) 2_576 2_576
O24 Mo8 O32 Mo5 48.9(5) 2_576 .
O24 Ge1 O15 Mo1 -60.8(2) . 2_576
O24 Ge1 O15 Mo2 64.2(2) . 2_576
O24 Ge1 O15 Mo9 -178.55(17) . 2_576
O24 Ge1 O35 Ni1 -122.36(19) . 2_576
O24 Ge1 O35 Ni1 -0.6(2) . .
O24 Ge1 O35 Ni2 118.49(19) . .
O24 Ge1 O37 Mo3 -177.00(16) . 2_576
O24 Ge1 O37 Mo5 60.7(2) . 2_576
O24 Ge1 O37 Mo6 -63.4(2) . .
O25 Mo9 O10 Mo3 -18.7(4) . .
O26 Mo1 O8 Mo5 -3.6(8) . .
O26 Mo1 O12 Mo9 -83.1(2) . .
O26 Mo2 O18 Mo9 88.05(18) . .
O26 Mo2 O31 Ni1 -69.3(5) . .
O26 Mo2 O31 Ni2 82.0(5) . .
O27 Mo3 O14 Ni2 -33.8(7) . 2_576
O27 Mo5 O30 Mo6 -64.3(2) . 2_576
O28 Mo3 O14 Ni2 44.4(3) . 2_576
O28 Mo6 O21 Ni2 48.8(3) 2_576 .
O29 Mo7 O19 Mo6 135.8(3) 2_576 .
O29 Mo7 O36 Ni1 -14.8(6) 2_576 .
O29 Mo8 O32 Mo5 121.7(4) . .
O30 Mo5 O27 Mo3 65.5(2) . .
O30 Mo6 O21 Ni2 -26.5(7) 2_576 .
O31 Mo2 O18 Mo9 -72.9(2) . .
O32 Mo5 O27 Mo3 -29.2(5) . .
O32 Mo5 O30 Mo6 92.4(2) . 2_576
O32 Mo8 O29 Mo7 -75.2(2) . 2_576
O33 Mo2 O18 Mo9 33.9(4) . .
O33 Mo2 O31 Ni1 -108.7(3) . .
O33 Mo2 O31 Ni2 42.6(2) . .
O33 Mo4 O13 Mo7 30.9(4) 2_576 .
O33 Mo4 O34 Ni1 -110.6(3) 2_576 .
O33 Mo4 O34 Ni2 45.1(2) 2_576 2_576
O34 Mo4 O13 Mo7 -73.2(2) . .
O35 Ge1 O15 Mo1 177.08(16) . 2_576
O35 Ge1 O15 Mo2 -57.9(2) . 2_576
O35 Ge1 O15 Mo9 59.4(2) . 2_576
O35 Ge1 O24 Mo4 58.5(2) . .
O35 Ge1 O24 Mo7 -59.5(2) . .
O35 Ge1 O24 Mo8 -176.90(17) . 2_576
O35 Ge1 O37 Mo3 -57.0(2) . 2_576
O35 Ge1 O37 Mo5 -179.27(18) . 2_576
O35 Ge1 O37 Mo6 56.6(2) . .
O36 Mo7 O19 Mo6 -23.1(4) . .
O37 Mo3 O14 Ni2 -29.6(3) 2_576 2_576
O37 Mo5 O27 Mo3 -5.56(17) 2_576 .
O37 Mo5 O30 Mo6 8.04(17) 2_576 2_576
O37 Mo6 O21 Ni2 -25.0(3) . .
O37 Ge1 O15 Mo1 55.3(2) . 2_576
O37 Ge1 O15 Mo2 -179.65(16) . 2_576
O37 Ge1 O15 Mo9 -62.4(2) . 2_576
O37 Ge1 O24 Mo4 179.78(16) . .
O37 Ge1 O24 Mo7 61.8(2) . .
O37 Ge1 O24 Mo8 -55.6(2) . 2_576
O37 Ge1 O35 Ni1 119.49(19) . 2_576
O37 Ge1 O35 Ni1 -118.77(19) . .
O37 Ge1 O35 Ni2 0.3(2) . .
Ni3 N7 N9 Ni4 5.6(5) . .
Ni3 N7 N9 C5 -173.8(3) . .
Ni3 N7 C6 N10 172.3(3) . .
Ni3 N8 C2 N1 177.5(3) . .
Ni3 N11 N12 Ni4 -7.4(6) . .
Ni3 N11 N12 C1 164.0(4) . .
Ni3 N11 C4 N5 -164.2(3) . .
Ni4 N6 N8 Ni3 0.6(6) . .
Ni4 N6 N8 C2 177.9(4) . .
Ni4 N6 C3 N1 -177.3(4) . .
Ni4 N9 C5 N10 -178.9(3) . .
Ni4 N12 C1 N5 170.3(4) . .
N2 N5 C1 N12 -179.5(5) . .
N2 N5 C4 N11 179.0(5) . .
N3 N10 C5 N9 178.8(5) . .
N3 N10 C6 N7 -178.4(5) . .
N4 N1 C2 N8 -179.6(5) . .
N4 N1 C3 N6 178.9(5) . .
N6 N8 C2 N1 0.2(6) . .
N7 N9 C5 N10 0.6(6) . .
N8 N6 C3 N1 1.4(6) . .
N9 N7 C6 N10 -1.6(6) . .
N11 N12 C1 N5 0.0(7) . .
N12 N11 C4 N5 1.1(6) . .
C1 N5 C4 N11 -1.1(6) . .
C2 N1 C3 N6 -1.3(7) . .
C3 N1 C2 N8 0.6(6) . .
C3 N6 N8 Ni3 -178.3(4) . .
C3 N6 N8 C2 -1.0(6) . .
C4 N5 C1 N12 0.7(7) . .
C4 N11 N12 Ni4 -172.1(4) . .
C4 N11 N12 C1 -0.7(6) . .
C5 N10 C6 N7 1.9(6) . .
C6 N7 N9 Ni4 -179.9(3) . .
C6 N7 N9 C5 0.7(5) . .
C6 N10 C5 N9 -1.5(6) . .
