# Supplementary Information (SI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 2489848'
loop_
_audit_author_name
_audit_author_address
'Xin-Rong Jin'
;Fuzhou University
China
;
_audit_update_record             
;
2025-09-19 deposited with the CCDC.	2025-11-18 downloaded from the CCDC.
;
_audit_creation_date             2025-09-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            CCoGeNNaNbO
_chemical_name_systematic        {Co9(Ge4Nb16)2}
_chemical_formula_moiety         
'C4 H20 Co3 Ge8 N4 Na2 Nb32 O122, 4(C6 H24 Co N6), 2(C6 H22 Co N6), 8(O), 4(H2 O), 4(H O)'
_chemical_formula_sum            'C40 H Co9 Ge8 N40 Na2 Nb32 O138'
_chemical_formula_weight         7380.00
_chemical_melting_point          ?
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'
Co Co 0.3494 0.9721 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nb Nb -2.0727 0.6215 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.0280(7)
_cell_length_b                   17.2493(8)
_cell_length_c                   23.3720(12)
_cell_angle_alpha                92.648(2)
_cell_angle_beta                 99.053(2)
_cell_angle_gamma                114.473(2)
_cell_volume                     5403.6(5)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9893
_cell_measurement_temperature    170
_cell_measurement_theta_max      25.07
_cell_measurement_theta_min      2.38
_shelx_estimated_absorpt_T_max   0.845
_shelx_estimated_absorpt_T_min   0.680
_exptl_absorpt_coefficient_mu    3.488
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5737
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0824 before and 0.0646 after correction.
The Ratio of minimum to maximum transmission is 0.7699.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.268
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3458
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_unetI/netI     0.0338
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            93934
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.109
_diffrn_reflns_theta_max         25.109
_diffrn_reflns_theta_min         1.902
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16760
_reflns_number_total             19087
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.972
_refine_diff_density_min         -2.060
_refine_diff_density_rms         0.153
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1226
_refine_ls_number_reflns         19087
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0359
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0399P)²+36.1703P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0940
_refine_ls_wR_factor_ref         0.0984
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All N(H,H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Rigid bond restraints
 Co1
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.04
3. Uiso/Uaniso restraints and constraints
O59 \\sim Co1 \\sim O51: within 2A with sigma of 0.02 and sigma for terminal
atoms of 0.04 within 2A
C16 \\sim C11: within 2A with sigma of 0.02 and sigma for terminal atoms of
0.04 within 2A
C11 \\sim C16: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
C16 \\sim N1: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 2A
C12 \\sim N9: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 2A
Co1 \\sim O32 \\sim O59: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
Uanis(O27) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O59) \\sim Ueq, Uanis(O67) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
4.a Free rotating group:
 O33(H33A,H33B), O35(H35), O61(H61A,H61B), O65(H65)
4.b Rotating group:
 O60(H60A,H60B)
4.c Secondary CH2 refined with riding coordinates:
 N1(H1A,H1B), N2(H2C,H2D), N3(H3A,H3B), N4(H4A,H4B), N5(H5C,H5D), N6(H6C,H6D),
 N7(H7A,H7B), N8(H8A,H8B), N9(H9C,H9D), N10(H10A,H10B), N12(H12A,H12B),
 N13(H13A,H13B), N14(H14A,H14B), N15(H15A,H15B), N16(H16A,H16B), N17(H17A,H17B),
  N18(H18C,H18D), N19(H19A,H19B), N20(H20A,H20B), C1(H1C,H1D), C2(H2A,H2B),
 C3(H3C,H3D), C4(H4C,H4D), C5(H5A,H5B), C6(H6A,H6B), C7(H7C,H7D), C8(H8C,H8D),
 C9(H9A,H9B), C10(H10C,H10D), C11(H11A,H11B), C12(H12C,H12D), C13(H13C,H13D),
 C14(H14C,H14D), C15(H15C,H15D), C16(H16C,H16D), C17(H17C,H17D), C18(H18A,H18B),
  C19(H19C,H19D), C20(H20C,H20D)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
Nb1 Nb 0.17926(3) 0.46263(3) 0.64306(2) 0.01619(11) Uani 1 1 d . . . . .
Nb2 Nb 0.63661(3) 0.57117(3) 0.72318(2) 0.01449(10) Uani 1 1 d . . . . .
Nb3 Nb 0.29887(4) 0.36881(3) 0.75393(2) 0.01646(11) Uani 1 1 d . . . . .
Nb4 Nb 0.73539(4) 0.92369(3) 0.84971(2) 0.01932(11) Uani 1 1 d . . . . .
Nb5 Nb 0.41959(3) 0.45201(3) 0.62825(2) 0.01580(11) Uani 1 1 d . . . . .
Nb6 Nb 0.28796(4) 0.49796(3) 0.86319(2) 0.01667(11) Uani 1 1 d . . . . .
Nb7 Nb 0.74623(3) 0.78698(3) 0.72131(2) 0.01680(11) Uani 1 1 d . . . . .
Nb8 Nb 0.28458(3) 0.67335(3) 0.63914(2) 0.01516(11) Uani 1 1 d . . . . .
Nb9 Nb 0.51677(4) 0.93158(3) 0.86087(2) 0.01948(11) Uani 1 1 d . . . . .
Nb10 Nb 0.62834(4) 1.01303(3) 0.74798(2) 0.02000(11) Uani 1 1 d . . . . .
Nb11 Nb 0.39579(4) 0.88456(3) 0.63651(2) 0.01914(11) Uani 1 1 d . . . . .
Nb12 Nb 0.16490(3) 0.59403(3) 0.75161(2) 0.01543(11) Uani 1 1 d . . . . .
Nb13 Nb 0.27766(4) 0.80879(3) 0.74966(2) 0.01650(11) Uani 1 1 d . . . . .
Nb14 Nb 0.51111(4) 0.49172(3) 0.85162(2) 0.01547(11) Uani 1 1 d . . . . .
Nb15 Nb 0.63456(4) 0.87405(3) 0.62200(2) 0.02036(12) Uani 1 1 d . . . . .
Nb16 Nb 0.52552(3) 0.66216(3) 0.62467(2) 0.01492(11) Uani 1 1 d . . . . .
Ge1 Ge 0.50764(4) 0.78565(3) 0.74166(2) 0.01242(12) Uani 1 1 d . . . . .
Ge2 Ge 0.67500(4) 0.70531(4) 0.85120(2) 0.01655(12) Uani 1 1 d . . . . .
Ge3 Ge 0.35529(4) 0.72067(4) 0.87064(2) 0.01690(13) Uani 1 1 d . . . . .
Ge4 Ge 0.40921(4) 0.59378(3) 0.74378(2) 0.01149(11) Uani 1 1 d . . . . .
Co1 Co 0.500000 1.000000 1.000000 0.0475(4) Uani 1 2 d S U P . .
Co2 Co 0.46316(6) 1.18841(5) 0.75152(4) 0.02508(18) Uani 1 1 d . . . . .
Co3 Co -0.15060(6) 0.67993(5) 0.55273(3) 0.02106(17) Uani 1 1 d . . . . .
Co4 Co 0.96430(6) 1.18992(5) 0.74723(4) 0.0293(2) Uani 1 1 d . . . . .
Co5 Co 0.49920(6) 0.63238(5) 0.94126(3) 0.02091(17) Uani 1 1 d . . . . .
Na1 Na 0.1920(4) 0.9770(3) 0.6781(2) 0.1031(15) Uani 1 1 d . . . . .
O1 O 0.3855(3) 0.5148(2) 0.78951(15) 0.0151(8) Uani 1 1 d . . . . .
O2 O 0.2837(3) 0.7093(2) 0.80082(16) 0.0176(8) Uani 1 1 d . . . . .
O3 O 0.5620(3) 0.4781(2) 0.66307(16) 0.0186(8) Uani 1 1 d . . . . .
O4 O 0.0846(7) 0.8210(7) 0.4354(3) 0.111(3) Uani 1 1 d . . . . .
O5 O 0.0833(3) 0.3855(3) 0.58988(18) 0.0270(9) Uani 1 1 d . . . . .
O6 O 0.3949(3) 0.7826(2) 0.70342(16) 0.0157(8) Uani 1 1 d . . . . .
O7 O 0.3774(3) 0.3894(2) 0.69279(17) 0.0197(8) Uani 1 1 d . . . . .
O8 O 0.6589(3) 0.6663(2) 0.66702(16) 0.0171(8) Uani 1 1 d . . . . .
O9 O 0.6810(3) 0.9333(3) 0.5656(2) 0.0357(11) Uani 1 1 d . . . . .
O10 O 0.2955(3) 0.5889(2) 0.70650(16) 0.0159(8) Uani 1 1 d . . . . .
O11 O 0.2870(3) 0.7603(2) 0.59643(16) 0.0214(8) Uani 1 1 d . . . . .
O12 O 0.5733(3) 0.8806(2) 0.78732(16) 0.0176(8) Uani 1 1 d . . . . .
O13 O 0.1759(3) 0.8185(3) 0.77342(19) 0.0277(9) Uani 1 1 d . . . . .
O14 O 0.6787(3) 0.6910(2) 0.77656(16) 0.0178(8) Uani 1 1 d . . . . .
O15 O 0.2280(3) 0.4807(3) 0.92384(18) 0.0307(10) Uani 1 1 d . . . . .
O16 O 0.4009(3) 0.6656(2) 0.62272(16) 0.0194(8) Uani 1 1 d . . . . .
O17 O 0.1995(3) 0.3953(2) 0.70300(17) 0.0197(8) Uani 1 1 d . . . . .
O18 O 0.0596(5) 0.9371(5) 0.5697(3) 0.078(2) Uani 1 1 d . . . . .
O19 O -0.0701(7) 0.6918(6) 0.8102(3) 0.111(3) Uani 1 1 d . . . . .
O20 O 0.5807(3) 0.7732(2) 0.69313(16) 0.0165(8) Uani 1 1 d . . . . .
O21 O 0.5763(3) 0.6254(2) 0.87418(16) 0.0197(8) Uani 1 1 d . . . . .
O22 O 0.6511(3) 0.9498(2) 0.89677(17) 0.0218(8) Uani 1 1 d . . . . .
O23 O 0.3772(3) 0.6317(2) 0.88460(16) 0.0195(8) Uani 1 1 d . . . . .
O24 O 0.2899(3) 0.8741(2) 0.68520(17) 0.0211(8) Uani 1 1 d . . . . .
O25 O 0.4962(3) 0.9723(2) 0.69471(17) 0.0229(9) Uani 1 1 d . . . . .
O26 O 0.5903(3) 0.4649(3) 0.90296(18) 0.0274(9) Uani 1 1 d . . . . .
O27 O 0.4186(3) 0.3802(2) 0.81276(16) 0.0190(8) Uani 1 1 d . U . . .
O28 O 0.7546(3) 0.5704(3) 0.73088(19) 0.0273(9) Uani 1 1 d . . . . .
O29 O 0.3865(3) 0.8861(2) 0.80502(17) 0.0218(8) Uani 1 1 d . . . . .
O30 O 0.3644(3) 0.9400(3) 0.58145(19) 0.0335(11) Uani 1 1 d . . . . .
O31 O 0.6698(3) 0.9617(2) 0.68601(18) 0.0241(9) Uani 1 1 d . . . . .
O32 O 0.3637(13) 1.0276(9) 0.9823(5) 0.211(7) Uani 1 1 d . . . . .
O33 O 0.2206(5) 0.9760(6) 0.5126(3) 0.081(2) Uani 1 1 d G . . . .
H33A H 0.238787 0.997997 0.481323 0.122 Uiso 1 1 d G U . . .
H33B H 0.241216 0.935823 0.515523 0.122 Uiso 1 1 d G U . . .
O34 O 0.4190(3) 0.5004(2) 0.90174(16) 0.0180(8) Uani 1 1 d . . . . .
O35 O 0.0559(7) 0.5954(6) 0.5160(5) 0.124(4) Uani 1 1 d G . . . .
H35 H 0.052335 0.552146 0.493547 0.186 Uiso 1 1 d G U . . .
O36 O 0.2388(3) 0.3863(2) 0.82257(17) 0.0198(8) Uani 1 1 d . . . . .
O37 O 0.2031(3) 0.5352(2) 0.81037(17) 0.0210(8) Uani 1 1 d . . . . .
O38 O 0.4836(3) 0.5568(2) 0.58229(16) 0.0188(8) Uani 1 1 d . . . . .
O39 O 0.3902(3) 0.3697(3) 0.57054(17) 0.0240(9) Uani 1 1 d . . . . .
O40 O 0.6806(3) 0.8044(2) 0.87138(17) 0.0245(9) Uani 1 1 d . . . . .
O41 O 0.7499(3) 0.8468(2) 0.65487(18) 0.0225(9) Uani 1 1 d . . . . .
O42 O 0.2020(3) 0.6899(2) 0.69570(16) 0.0164(8) Uani 1 1 d . . . . .
O43 O 0.6787(3) 1.1231(2) 0.7364(2) 0.0289(10) Uani 1 1 d . . . . .
O44 O 0.1000(3) 0.5039(2) 0.68876(17) 0.0199(8) Uani 1 1 d . . . . .
O45 O 0.8628(3) 0.7811(3) 0.72634(19) 0.0276(9) Uani 1 1 d . . . . .
O46 O 0.4762(3) 0.6975(2) 0.78192(15) 0.0144(7) Uani 1 1 d . . . . .
O47 O 0.0629(3) 0.6032(3) 0.77368(19) 0.0291(10) Uani 1 1 d . . . . .
O48 O 0.4825(3) 0.5812(2) 0.69575(15) 0.0154(8) Uani 1 1 d . . . . .
O49 O 0.8519(3) 0.9703(3) 0.8980(2) 0.0336(10) Uani 1 1 d . . . . .
O50 O 0.5800(3) 0.7467(2) 0.57851(16) 0.0207(8) Uani 1 1 d . . . . .
O51 O 0.4881(3) 0.9838(3) 0.91951(18) 0.0290(10) Uani 1 1 d . U . . .
O52 O 0.1908(3) 0.5707(2) 0.59870(16) 0.0200(8) Uani 1 1 d . . . . .
O53 O 0.7854(3) 0.7020(3) 0.8893(2) 0.0372(11) Uani 1 1 d . . . . .
O54 O 0.2972(3) 0.4672(2) 0.61635(16) 0.0201(8) Uani 1 1 d . . . . .
O55 O 0.3996(4) 0.6126(3) 1.00479(19) 0.0373(11) Uani 1 1 d . . . . .
O56 O 0.2386(3) 0.2544(2) 0.74363(19) 0.0246(9) Uani 1 1 d . . . . .
O57 O 0.2811(4) 0.7303(3) 0.9202(2) 0.0407(12) Uani 1 1 d . . . . .
O58 O 0.4642(3) 0.8141(2) 0.88534(18) 0.0268(9) Uani 1 1 d . . . . .
O59 O 0.5847(12) 1.1143(6) 0.9975(4) 0.193(6) Uani 1 1 d . U . . .
O60 O 0.0585(4) 0.8980(4) 0.7497(3) 0.0579(16) Uani 1 1 d . . . . .
H60A H -0.000021 0.866169 0.728255 0.087 Uiso 1 1 d R U . . .
H60B H 0.049228 0.936873 0.770067 0.087 Uiso 1 1 d R U . . .
O61 O 0.0922(5) 0.7201(5) 0.8665(3) 0.0702(19) Uani 1 1 d G . . . .
H61A H 0.047867 0.697731 0.888047 0.105 Uiso 1 1 d G U . . .
H61B H 0.119069 0.775682 0.874052 0.105 Uiso 1 1 d G U . . .
O62 O 0.4962(3) 0.8590(3) 0.60735(17) 0.0238(9) Uani 1 1 d . . . . .
O63 O 0.5529(6) 1.2261(6) 0.9271(3) 0.092(2) Uani 1 1 d . . . . .
O64 O 0.7692(3) 0.8705(2) 0.78190(18) 0.0231(9) Uani 1 1 d . . . . .
O65 O -0.0803(7) 0.4750(7) 0.6143(4) 0.109(3) Uani 1 1 d G . . . .
H65 H -0.078074 0.442364 0.585559 0.164 Uiso 1 1 d G U . . .
O66 O 0.5657(3) 1.0269(2) 0.81532(17) 0.0213(8) Uani 1 1 d . . . . .
O67 O 0.0604(8) 1.0277(6) 0.8212(4) 0.132(4) Uani 1 1 d . U . . .
O68 O 0.5870(3) 0.5205(2) 0.78846(16) 0.0195(8) Uani 1 1 d . . . . .
O69 O 0.7445(3) 1.0189(2) 0.80473(18) 0.0240(9) Uani 1 1 d . . . . .
N1 N 0.5881(4) 1.2074(3) 0.8034(2) 0.0323(12) Uani 1 1 d . U . . .
H1A H 0.576853 1.196796 0.839996 0.039 Uiso 1 1 calc R U . . .
H1B H 0.612078 1.170805 0.790281 0.039 Uiso 1 1 calc R U . . .
N2 N -0.0058(4) 0.7325(3) 0.5554(2) 0.0311(12) Uani 1 1 d . . . . .
H2C H 0.010805 0.697715 0.533182 0.037 Uiso 1 1 calc R U . . .
H2D H 0.012833 0.783861 0.540967 0.037 Uiso 1 1 calc R U . . .
N3 N 1.0768(4) 1.1997(4) 0.8072(3) 0.0435(15) Uani 1 1 d . . . . .
H3A H 1.083587 1.149710 0.804869 0.052 Uiso 1 1 calc R U . . .
H3B H 1.133956 1.242325 0.800787 0.052 Uiso 1 1 calc R U . . .
N4 N 0.4025(4) 1.0675(3) 0.7657(2) 0.0317(12) Uani 1 1 d . . . . .
H4A H 0.357100 1.035195 0.733437 0.038 Uiso 1 1 calc R U . . .
H4B H 0.450498 1.047973 0.772372 0.038 Uiso 1 1 calc R U . . .
N5 N 0.8980(4) 1.1888(4) 0.8129(3) 0.0385(14) Uani 1 1 d . . . . .
H5C H 0.891781 1.238783 0.818105 0.046 Uiso 1 1 calc R U . . .
H5D H 0.835851 1.144762 0.805185 0.046 Uiso 1 1 calc R U . . .
N6 N -0.1152(4) 0.6690(3) 0.6359(2) 0.0295(12) Uani 1 1 d . . . . .
H6C H -0.133300 0.702569 0.658206 0.035 Uiso 1 1 calc R U . . .
H6D H -0.148726 0.613590 0.642301 0.035 Uiso 1 1 calc R U . . .
N7 N -0.1501(4) 0.7936(3) 0.5708(2) 0.0298(12) Uani 1 1 d . . . . .
H7A H -0.186642 0.791100 0.598789 0.036 Uiso 1 1 calc R U . . .
H7B H -0.086605 0.833565 0.584572 0.036 Uiso 1 1 calc R U . . .
N8 N 0.5288(4) 1.3122(3) 0.7452(2) 0.0333(13) Uani 1 1 d . . . . .
H8A H 0.534497 1.320046 0.707432 0.040 Uiso 1 1 calc R U . . .
H8B H 0.490807 1.337978 0.755728 0.040 Uiso 1 1 calc R U . . .
N9 N 1.0149(4) 1.3158(4) 0.7538(3) 0.0424(15) Uani 1 1 d . U . . .
H9C H 1.033278 1.338071 0.792164 0.051 Uiso 1 1 calc R U . . .
H9D H 1.069446 1.338220 0.737049 0.051 Uiso 1 1 calc R U . . .
N10 N 0.6053(4) 0.6149(3) 1.0050(2) 0.0304(12) Uani 1 1 d . . . . .
H10A H 0.574102 0.569658 1.024312 0.037 Uiso 1 1 calc R U . . .
H10B H 0.649995 0.604486 0.987655 0.037 Uiso 1 1 calc R U . . .
N11 N -0.2933(4) 0.6199(3) 0.5532(2) 0.0285(12) Uani 1 1 d . . . . .
N12 N 0.3425(4) 1.1710(4) 0.6956(2) 0.0350(13) Uani 1 1 d . . . . .
H12A H 0.293470 1.117857 0.696258 0.042 Uiso 1 1 calc R U . . .
H12B H 0.320424 1.210660 0.705503 0.042 Uiso 1 1 calc R U . . .
N13 N 0.5862(4) 0.7620(3) 0.9745(2) 0.0304(12) Uani 1 1 d . . . . .
H13A H 0.601760 0.794007 0.944545 0.036 Uiso 1 1 calc R U . . .
H13B H 0.551306 0.781651 0.994898 0.036 Uiso 1 1 calc R U . . .
N14 N 0.4070(4) 1.2098(3) 0.8176(2) 0.0302(12) Uani 1 1 d . . . . .
H14A H 0.454203 1.227301 0.850945 0.036 Uiso 1 1 calc R U . . .
H14B H 0.386377 1.251944 0.811289 0.036 Uiso 1 1 calc R U . . .
N15 N 1.0349(4) 1.1861(4) 0.6839(3) 0.0362(13) Uani 1 1 d . . . . .
H15A H 1.006146 1.199236 0.650836 0.043 Uiso 1 1 calc R U . . .
H15B H 1.099500 1.225636 0.693892 0.043 Uiso 1 1 calc R U . . .
N16 N 0.5104(5) 1.1622(4) 0.6828(2) 0.0394(14) Uani 1 1 d . . . . .
H16A H 0.563192 1.209821 0.676853 0.047 Uiso 1 1 calc R U . . .
H16B H 0.531250 1.120239 0.689096 0.047 Uiso 1 1 calc R U . . .
N17 N 0.9089(4) 1.0627(4) 0.7348(3) 0.0409(15) Uani 1 1 d . . . . .
H17A H 0.937659 1.043838 0.764882 0.049 Uiso 1 1 calc R U . . .
H17B H 0.842113 1.039606 0.733852 0.049 Uiso 1 1 calc R U . . .
N18 N 0.8525(4) 1.1875(4) 0.6903(3) 0.0403(14) Uani 1 1 d . . . . .
H18C H 0.846475 1.156757 0.656031 0.048 Uiso 1 1 calc R U . . .
H18D H 0.794872 1.161799 0.703812 0.048 Uiso 1 1 calc R U . . .
N19 N -0.1599(4) 0.5651(3) 0.5284(2) 0.0257(11) Uani 1 1 d . . . . .
H19A H -0.134637 0.566574 0.495335 0.031 Uiso 1 1 calc R U . . .
H19B H -0.122535 0.550874 0.556837 0.031 Uiso 1 1 calc R U . . .
N20 N -0.1743(4) 0.7010(3) 0.4713(2) 0.0251(11) Uani 1 1 d . . . . .
H20A H -0.133470 0.688153 0.451633 0.030 Uiso 1 1 calc R U . . .
H20B H -0.238462 0.666372 0.453964 0.030 Uiso 1 1 calc R U . . .
C1 C 1.0310(6) 1.0988(5) 0.6729(4) 0.054(2) Uani 1 1 d . . . . .
H1C H 1.082961 1.092472 0.701403 0.065 Uiso 1 1 calc R U . . .
H1D H 1.042299 1.089196 0.633054 0.065 Uiso 1 1 calc R U . . .
C2 C 0.9285(6) 1.0349(5) 0.6791(4) 0.055(2) Uani 1 1 d . . . . .
H2A H 0.877605 1.033502 0.646036 0.066 Uiso 1 1 calc R U . . .
H2B H 0.925955 0.976682 0.679493 0.066 Uiso 1 1 calc R U . . .
C3 C 0.9571(6) 1.1783(6) 0.8668(4) 0.060(2) Uani 1 1 d . . . . .
H3C H 0.944966 1.205012 0.901404 0.072 Uiso 1 1 calc R U . . .
H3D H 0.935894 1.116517 0.870284 0.072 Uiso 1 1 calc R U . . .
C4 C 1.0618(6) 1.2183(6) 0.8648(4) 0.059(2) Uani 1 1 d . . . . .
H4C H 1.088198 1.281187 0.874961 0.070 Uiso 1 1 calc R U . . .
H4D H 1.098529 1.196633 0.893796 0.070 Uiso 1 1 calc R U . . .
C5 C 0.6568(6) 0.6953(5) 1.0463(3) 0.0465(19) Uani 1 1 d . . . . .
H5A H 0.720113 0.698146 1.068534 0.056 Uiso 1 1 calc R U . . .
H5B H 0.614333 0.696310 1.074477 0.056 Uiso 1 1 calc R U . . .
C6 C 0.3216(6) 1.1295(5) 0.8239(4) 0.0452(18) Uani 1 1 d . . . . .
H6A H 0.262398 1.119522 0.793759 0.054 Uiso 1 1 calc R U . . .
H6B H 0.304594 1.133026 0.862861 0.054 Uiso 1 1 calc R U . . .
C7 C -0.0092(6) 0.6950(8) 0.6521(4) 0.073(3) Uani 1 1 d . . . . .
H7C H 0.014479 0.726347 0.692022 0.088 Uiso 1 1 calc R U . . .
H7D H 0.002958 0.642830 0.653207 0.088 Uiso 1 1 calc R U . . .
C8 C -0.3205(5) 0.5261(4) 0.5552(3) 0.0354(16) Uani 1 1 d . . . . .
H8C H -0.392975 0.492249 0.540713 0.042 Uiso 1 1 calc R U . . .
H8D H -0.303988 0.515422 0.595875 0.042 Uiso 1 1 calc R U . . .
C9 C 0.3530(6) 1.0581(5) 0.8164(4) 0.0447(19) Uani 1 1 d . . . . .
H9A H 0.399357 1.059789 0.852087 0.054 Uiso 1 1 calc R U . . .
H9B H 0.293863 1.002041 0.810343 0.054 Uiso 1 1 calc R U . . .
C10 C -0.2632(5) 0.4996(4) 0.5175(3) 0.0295(14) Uani 1 1 d . . . . .
H10C H -0.264782 0.443612 0.526741 0.035 Uiso 1 1 calc R U . . .
H10D H -0.293885 0.493161 0.475874 0.035 Uiso 1 1 calc R U . . .
C11 C 0.6275(6) 1.3518(5) 0.7826(5) 0.064(3) Uani 1 1 d . U . . .
H11A H 0.675319 1.388766 0.759807 0.077 Uiso 1 1 calc R U . . .
H11B H 0.625711 1.389436 0.815290 0.077 Uiso 1 1 calc R U . . .
C12 C 0.9385(8) 1.3383(7) 0.7252(7) 0.116(5) Uani 1 1 d . U . . .
H12C H 0.902200 1.348144 0.754560 0.139 Uiso 1 1 calc R U . . .
H12D H 0.970193 1.392685 0.708632 0.139 Uiso 1 1 calc R U . . .
C13 C 0.6774(5) 0.7704(5) 1.0127(3) 0.0448(18) Uani 1 1 d . . . . .
H13C H 0.704986 0.823901 1.040084 0.054 Uiso 1 1 calc R U . . .
H13D H 0.727725 0.773918 0.988895 0.054 Uiso 1 1 calc R U . . .
C14 C 0.3662(6) 1.1797(5) 0.6363(3) 0.0466(19) Uani 1 1 d . . . . .
H14C H 0.402619 1.240999 0.631645 0.056 Uiso 1 1 calc R U . . .
H14D H 0.304113 1.154432 0.606328 0.056 Uiso 1 1 calc R U . . .
C15 C 0.8701(11) 1.2754(8) 0.6806(5) 0.105(5) Uani 1 1 d . . . . .
H15C H 0.894580 1.287234 0.643575 0.126 Uiso 1 1 calc R U . . .
H15D H 0.805867 1.279830 0.675966 0.126 Uiso 1 1 calc R U . . .
C16 C 0.6622(8) 1.2972(6) 0.8051(6) 0.111(5) Uani 1 1 d . U . . .
H16C H 0.695032 1.319919 0.846344 0.133 Uiso 1 1 calc R U . . .
H16D H 0.714084 1.296702 0.783911 0.133 Uiso 1 1 calc R U . . .
C17 C -0.1554(5) 0.7912(5) 0.4684(3) 0.0346(15) Uani 1 1 d . . . . .
H17C H -0.190179 0.797405 0.430467 0.041 Uiso 1 1 calc R U . . .
H17D H -0.083062 0.827287 0.472225 0.041 Uiso 1 1 calc R U . . .
C18 C 0.4292(6) 1.1333(5) 0.6295(3) 0.0447(18) Uani 1 1 d . . . . .
H18A H 0.458164 1.146914 0.594020 0.054 Uiso 1 1 calc R U . . .
H18B H 0.388703 1.070481 0.626009 0.054 Uiso 1 1 calc R U . . .
C19 C -0.1931(5) 0.8185(4) 0.5172(3) 0.0358(16) Uani 1 1 d . . . . .
H19C H -0.171799 0.881304 0.521024 0.043 Uiso 1 1 calc R U . . .
H19D H -0.266801 0.789477 0.510039 0.043 Uiso 1 1 calc R U . . .
C20 C 0.0452(6) 0.7450(8) 0.6162(5) 0.090(4) Uani 1 1 d . . . . .
H20C H 0.105334 0.734575 0.616714 0.108 Uiso 1 1 calc R U . . .
H20D H 0.067965 0.805822 0.631990 0.108 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Nb1 O5 1.757(4) . ?
Nb1 O10 2.394(4) . ?
Nb1 O17 1.928(4) . ?
Nb1 O44 2.025(4) . ?
Nb1 O52 2.133(4) . ?
Nb1 O54 1.942(4) . ?
Nb2 O3 1.901(4) . ?
Nb2 O8 2.100(4) . ?
Nb2 O14 2.158(4) . ?
Nb2 O28 1.760(4) . ?
Nb2 O48 2.384(3) . ?
Nb2 O68 1.895(4) . ?
Nb3 O1 2.340(4) . ?
Nb3 O7 1.947(4) . ?
Nb3 O17 1.977(4) . ?
Nb3 O27 2.018(4) . ?
Nb3 O36 2.029(4) . ?
Nb3 O56 1.784(4) . ?
Nb4 O12 2.427(4) . ?
Nb4 O22 1.970(4) . ?
Nb4 O40 1.998(4) . ?
Nb4 O49 1.765(4) . ?
Nb4 O64 2.029(4) . ?
Nb4 O69 1.959(4) . ?
Nb5 O3 2.016(4) . ?
Nb5 O7 1.931(4) . ?
Nb5 O38 2.100(4) . ?
Nb5 O39 1.773(4) . ?
Nb5 O48 2.410(4) . ?
Nb5 O54 1.943(4) . ?
Nb6 O1 2.384(3) . ?
Nb6 O15 1.769(4) . ?
Nb6 O23 2.119(4) . ?
Nb6 O34 2.015(4) . ?
Nb6 O36 1.894(4) . ?
Nb6 O37 1.954(4) . ?
Nb7 O8 2.153(4) . ?
Nb7 O14 2.158(4) . ?
Nb7 O20 2.379(4) . ?
Nb7 O41 1.899(4) . ?
Nb7 O45 1.782(4) . ?
Nb7 O64 1.856(4) . ?
Nb8 O6 2.219(4) . ?
Nb8 O10 2.226(3) . ?
Nb8 O11 1.831(4) . ?
Nb8 O16 1.903(4) . ?
Nb8 O42 2.035(4) . ?
Nb8 O52 1.837(4) . ?
Nb9 O12 2.322(4) . ?
Nb9 O22 1.948(4) . ?
Nb9 O29 1.995(4) . ?
Nb9 O51 1.808(4) . ?
Nb9 O58 1.995(4) . ?
Nb9 O66 1.945(4) . ?
Nb10 O12 2.370(4) . ?
Nb10 O25 1.993(4) . ?
Nb10 O31 1.973(4) . ?
Nb10 O43 1.781(4) . ?
Nb10 O66 2.010(4) . ?
Nb10 O69 1.982(4) . ?
Nb11 O6 2.404(3) . ?
Nb11 O11 2.139(4) . ?
Nb11 O24 2.052(4) . ?
Nb11 O25 1.921(4) . ?
Nb11 O30 1.757(4) . ?
Nb11 O62 1.944(4) . ?
Nb12 O2 2.160(4) . ?
Nb12 O10 2.399(4) . ?
Nb12 O37 1.900(4) . ?
Nb12 O42 2.102(4) . ?
Nb12 O44 1.899(4) . ?
Nb12 O47 1.756(4) . ?
Nb13 O2 2.160(4) . ?
Nb13 O6 2.386(4) . ?
Nb13 O13 1.773(4) . ?
Nb13 O24 1.910(4) . ?
Nb13 O29 1.869(4) . ?
Nb13 O42 2.114(4) . ?
Nb14 O1 2.376(4) . ?
Nb14 O21 2.100(4) . ?
Nb14 O26 1.769(4) . ?
Nb14 O27 1.919(4) . ?
Nb14 O34 1.994(4) . ?
Nb14 O68 1.963(4) . ?
Nb15 O9 1.758(4) . ?
Nb15 O20 2.443(3) . ?
Nb15 O31 1.919(4) . ?
Nb15 O41 2.026(4) . ?
Nb15 O50 2.137(4) . ?
Nb15 O62 1.957(4) . ?
Nb16 O8 2.063(4) . ?
Nb16 O16 1.891(4) . ?
Nb16 O20 2.214(4) . ?
Nb16 O38 1.835(4) . ?
Nb16 O48 2.221(3) . ?
Nb16 O50 1.843(4) . ?
Ge1 O6 1.765(3) . ?
Ge1 O12 1.721(4) . ?
Ge1 O20 1.761(4) . ?
Ge1 O46 1.759(3) . ?
Ge2 O14 1.764(4) . ?
Ge2 O21 1.735(4) . ?
Ge2 O40 1.717(4) . ?
Ge2 O53 1.779(4) . ?
Ge3 O2 1.762(4) . ?
Ge3 O23 1.733(4) . ?
Ge3 O57 1.775(4) . ?
Ge3 O58 1.726(4) . ?
Ge4 O1 1.725(3) . ?
Ge4 O10 1.759(3) . ?
Ge4 O46 1.758(4) . ?
Ge4 O48 1.756(4) . ?
Co1 O32 2.270(18) 2_677 ?
Co1 O32 2.270(18) . ?
Co1 O51 1.858(4) 2_677 ?
Co1 O51 1.858(4) . ?
Co1 O59 1.862(11) 2_677 ?
Co1 O59 1.862(11) . ?
Co2 N1 1.960(5) . ?
Co2 N4 1.968(5) . ?
Co2 N8 1.972(5) . ?
Co2 N12 1.963(5) . ?
Co2 N14 1.963(5) . ?
Co2 N16 1.962(6) . ?
Co3 N2 1.969(5) . ?
Co3 N6 1.971(5) . ?
Co3 N7 1.983(5) . ?
Co3 N11 1.960(5) . ?
Co3 N19 1.977(5) . ?
Co3 N20 1.959(5) . ?
Co4 N3 1.962(6) . ?
Co4 N5 1.953(6) . ?
Co4 N9 1.970(6) . ?
Co4 N15 1.965(6) . ?
Co4 N17 1.986(6) . ?
Co4 N18 1.957(6) . ?
Co5 O21 2.118(4) . ?
Co5 O23 2.081(4) . ?
Co5 O34 2.161(4) . ?
Co5 O55 2.210(5) . ?
Co5 N10 2.132(5) . ?
Co5 N13 2.100(5) . ?
Na1 O18 2.824(9) . ?
Na1 O24 2.730(6) . ?
Na1 O60 2.772(8) . ?
O33 H33A 0.8700 . ?
O33 H33B 0.8696 . ?
O35 H35 0.8702 . ?
O60 H60A 0.8728 . ?
O60 H60B 0.8739 . ?
O61 H61A 0.8702 . ?
O61 H61B 0.8690 . ?
O65 H65 0.8700 . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N1 C16 1.480(11) . ?
N2 H2C 0.9100 . ?
N2 H2D 0.9100 . ?
N2 C20 1.465(10) . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N3 C4 1.442(10) . ?
N4 H4A 0.9100 . ?
N4 H4B 0.9100 . ?
N4 C9 1.477(9) . ?
N5 H5C 0.9100 . ?
N5 H5D 0.9100 . ?
N5 C3 1.487(10) . ?
N6 H6C 0.9100 . ?
N6 H6D 0.9100 . ?
N6 C7 1.445(9) . ?
N7 H7A 0.9100 . ?
N7 H7B 0.9100 . ?
N7 C19 1.481(8) . ?
N8 H8A 0.9100 . ?
N8 H8B 0.9100 . ?
N8 C11 1.460(10) . ?
N9 H9C 0.9100 . ?
N9 H9D 0.9100 . ?
N9 C12 1.438(11) . ?
N10 H10A 0.9100 . ?
N10 H10B 0.9100 . ?
N10 C5 1.485(9) . ?
N11 C8 1.500(8) . ?
N12 H12A 0.9100 . ?
N12 H12B 0.9100 . ?
N12 C14 1.484(9) . ?
N13 H13A 0.9100 . ?
N13 H13B 0.9100 . ?
N13 C13 1.462(9) . ?
N14 H14A 0.9100 . ?
N14 H14B 0.9100 . ?
N14 C6 1.480(9) . ?
N15 H15A 0.9100 . ?
N15 H15B 0.9100 . ?
N15 C1 1.492(9) . ?
N16 H16A 0.9100 . ?
N16 H16B 0.9100 . ?
N16 C18 1.498(9) . ?
N17 H17A 0.9100 . ?
N17 H17B 0.9100 . ?
N17 C2 1.479(10) . ?
N18 H18C 0.9100 . ?
N18 H18D 0.9100 . ?
N18 C15 1.461(12) . ?
N19 H19A 0.9100 . ?
N19 H19B 0.9100 . ?
N19 C10 1.466(8) . ?
N20 H20A 0.9100 . ?
N20 H20B 0.9100 . ?
N20 C17 1.469(8) . ?
C1 H1C 0.9900 . ?
C1 H1D 0.9900 . ?
C1 C2 1.513(10) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3C 0.9900 . ?
C3 H3D 0.9900 . ?
C3 C4 1.443(11) . ?
C4 H4C 0.9900 . ?
C4 H4D 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C13 1.493(10) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C9 1.503(10) . ?
C7 H7C 0.9900 . ?
C7 H7D 0.9900 . ?
C7 C20 1.348(13) . ?
C8 H8C 0.9900 . ?
C8 H8D 0.9900 . ?
C8 C10 1.501(9) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10C 0.9900 . ?
C10 H10D 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C16 1.343(12) . ?
C12 H12C 0.9900 . ?
C12 H12D 0.9900 . ?
C12 C15 1.398(16) . ?
C13 H13C 0.9900 . ?
C13 H13D 0.9900 . ?
C14 H14C 0.9900 . ?
C14 H14D 0.9900 . ?
C14 C18 1.492(10) . ?
C15 H15C 0.9900 . ?
C15 H15D 0.9900 . ?
C16 H16C 0.9900 . ?
C16 H16D 0.9900 . ?
C17 H17C 0.9900 . ?
C17 H17D 0.9900 . ?
C17 C19 1.489(9) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19C 0.9900 . ?
C19 H19D 0.9900 . ?
C20 H20C 0.9900 . ?
C20 H20D 0.9900 . ?

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
O5 Nb1 O10 167.19(16) . . ?
O5 Nb1 O17 103.04(18) . . ?
O5 Nb1 O44 100.88(17) . . ?
O5 Nb1 O52 95.97(17) . . ?
O5 Nb1 O54 101.68(18) . . ?
O17 Nb1 O10 88.44(14) . . ?
O17 Nb1 O44 91.97(16) . . ?
O17 Nb1 O52 160.84(16) . . ?
O17 Nb1 O54 89.75(16) . . ?
O44 Nb1 O10 72.67(13) . . ?
O44 Nb1 O52 81.98(15) . . ?
O52 Nb1 O10 72.41(13) . . ?
O54 Nb1 O10 83.81(14) . . ?
O54 Nb1 O44 156.35(16) . . ?
O54 Nb1 O52 88.75(15) . . ?
O3 Nb2 O8 94.71(15) . . ?
O3 Nb2 O14 158.33(15) . . ?
O3 Nb2 O48 75.96(14) . . ?
O8 Nb2 O14 72.75(14) . . ?
O8 Nb2 O48 72.39(13) . . ?
O14 Nb2 O48 83.31(13) . . ?
O28 Nb2 O3 100.51(18) . . ?
O28 Nb2 O8 98.18(17) . . ?
O28 Nb2 O14 98.77(17) . . ?
O28 Nb2 O48 169.38(16) . . ?
O28 Nb2 O68 103.80(18) . . ?
O68 Nb2 O3 100.34(16) . . ?
O68 Nb2 O8 150.46(15) . . ?
O68 Nb2 O14 84.49(15) . . ?
O68 Nb2 O48 86.74(14) . . ?
O7 Nb3 O1 88.61(14) . . ?
O7 Nb3 O17 89.51(15) . . ?
O7 Nb3 O27 89.90(15) . . ?
O7 Nb3 O36 162.73(15) . . ?
O17 Nb3 O1 88.91(14) . . ?
O17 Nb3 O27 162.78(15) . . ?
O17 Nb3 O36 88.22(15) . . ?
O27 Nb3 O1 73.87(14) . . ?
O27 Nb3 O36 87.25(15) . . ?
O36 Nb3 O1 74.23(13) . . ?
O56 Nb3 O1 167.12(16) . . ?
O56 Nb3 O7 100.17(17) . . ?
O56 Nb3 O17 100.48(17) . . ?
O56 Nb3 O27 96.56(17) . . ?
O56 Nb3 O36 97.08(17) . . ?
O22 Nb4 O12 72.87(14) . . ?
O22 Nb4 O40 88.76(17) . . ?
O22 Nb4 O64 157.77(16) . . ?
O40 Nb4 O12 85.84(15) . . ?
O40 Nb4 O64 84.17(16) . . ?
O49 Nb4 O12 170.93(17) . . ?
O49 Nb4 O22 100.95(19) . . ?
O49 Nb4 O40 100.84(19) . . ?
O49 Nb4 O64 101.08(19) . . ?
O49 Nb4 O69 100.74(19) . . ?
O64 Nb4 O12 85.59(14) . . ?
O69 Nb4 O12 73.12(14) . . ?
O69 Nb4 O22 90.72(17) . . ?
O69 Nb4 O40 158.11(17) . . ?
O69 Nb4 O64 88.16(16) . . ?
O3 Nb5 O38 84.46(15) . . ?
O3 Nb5 O48 73.38(13) . . ?
O7 Nb5 O3 89.40(15) . . ?
O7 Nb5 O38 159.26(15) . . ?
O7 Nb5 O48 87.06(14) . . ?
O7 Nb5 O54 88.67(16) . . ?
O38 Nb5 O48 72.20(13) . . ?
O39 Nb5 O3 102.09(17) . . ?
O39 Nb5 O7 103.36(17) . . ?
O39 Nb5 O38 97.30(17) . . ?
O39 Nb5 O48 168.74(16) . . ?
O39 Nb5 O54 100.54(17) . . ?
O54 Nb5 O3 157.12(16) . . ?
O54 Nb5 O38 89.36(15) . . ?
O54 Nb5 O48 83.75(14) . . ?
O15 Nb6 O1 171.65(17) . . ?
O15 Nb6 O23 98.15(18) . . ?
O15 Nb6 O34 98.93(18) . . ?
O15 Nb6 O36 103.37(19) . . ?
O15 Nb6 O37 100.99(18) . . ?
O23 Nb6 O1 82.75(14) . . ?
O34 Nb6 O1 73.05(13) . . ?
O34 Nb6 O23 78.63(14) . . ?
O36 Nb6 O1 75.52(14) . . ?
O36 Nb6 O23 158.27(15) . . ?
O36 Nb6 O34 94.90(16) . . ?
O36 Nb6 O37 95.57(16) . . ?
O37 Nb6 O1 87.36(14) . . ?
O37 Nb6 O23 83.16(15) . . ?
O37 Nb6 O34 154.65(15) . . ?
O8 Nb7 O14 71.72(14) . . ?
O8 Nb7 O20 71.69(13) . . ?
O14 Nb7 O20 83.03(13) . . ?
O41 Nb7 O8 90.57(16) . . ?
O41 Nb7 O14 155.80(15) . . ?
O41 Nb7 O20 75.64(14) . . ?
O45 Nb7 O8 96.03(17) . . ?
O45 Nb7 O14 99.29(17) . . ?
O45 Nb7 O20 166.24(17) . . ?
O45 Nb7 O41 98.86(18) . . ?
O45 Nb7 O64 104.03(19) . . ?
O64 Nb7 O8 153.83(15) . . ?
O64 Nb7 O14 88.38(16) . . ?
O64 Nb7 O20 89.56(15) . . ?
O64 Nb7 O41 102.56(17) . . ?
O6 Nb8 O10 86.76(13) . . ?
O11 Nb8 O6 82.03(15) . . ?
O11 Nb8 O10 168.21(16) . . ?
O11 Nb8 O16 98.92(17) . . ?
O11 Nb8 O42 96.96(16) . . ?
O11 Nb8 O52 108.95(17) . . ?
O16 Nb8 O6 82.82(15) . . ?
O16 Nb8 O10 83.21(14) . . ?
O16 Nb8 O42 151.85(15) . . ?
O42 Nb8 O6 76.53(14) . . ?
O42 Nb8 O10 76.78(13) . . ?
O52 Nb8 O6 168.43(15) . . ?
O52 Nb8 O10 82.03(15) . . ?
O52 Nb8 O16 98.62(17) . . ?
O52 Nb8 O42 97.99(16) . . ?
O22 Nb9 O12 75.73(14) . . ?
O22 Nb9 O29 160.35(16) . . ?
O22 Nb9 O58 89.44(16) . . ?
O29 Nb9 O12 85.51(15) . . ?
O29 Nb9 O58 84.20(16) . . ?
O51 Nb9 O12 172.46(17) . . ?
O51 Nb9 O22 99.28(18) . . ?
O51 Nb9 O29 99.95(18) . . ?
O51 Nb9 O58 97.23(19) . . ?
O51 Nb9 O66 99.27(18) . . ?
O58 Nb9 O12 88.44(16) . . ?
O66 Nb9 O12 75.57(14) . . ?
O66 Nb9 O22 92.58(17) . . ?
O66 Nb9 O29 88.27(16) . . ?
O66 Nb9 O58 162.83(17) . . ?
O25 Nb10 O12 89.94(14) . . ?
O25 Nb10 O66 89.46(16) . . ?
O31 Nb10 O12 89.16(14) . . ?
O31 Nb10 O25 86.91(17) . . ?
O31 Nb10 O66 162.14(15) . . ?
O31 Nb10 O69 89.71(17) . . ?
O43 Nb10 O12 166.24(17) . . ?
O43 Nb10 O25 98.94(18) . . ?
O43 Nb10 O31 101.72(18) . . ?
O43 Nb10 O66 96.12(18) . . ?
O43 Nb10 O69 97.33(18) . . ?
O66 Nb10 O12 73.34(14) . . ?
O69 Nb10 O12 74.09(14) . . ?
O69 Nb10 O25 163.73(16) . . ?
O69 Nb10 O66 88.89(17) . . ?
O11 Nb11 O6 71.85(13) . . ?
O24 Nb11 O6 72.84(13) . . ?
O24 Nb11 O11 82.81(16) . . ?
O25 Nb11 O6 87.70(14) . . ?
O25 Nb11 O11 159.51(15) . . ?
O25 Nb11 O24 90.18(16) . . ?
O25 Nb11 O62 91.15(17) . . ?
O30 Nb11 O6 165.28(18) . . ?
O30 Nb11 O11 95.05(18) . . ?
O30 Nb11 O24 99.42(19) . . ?
O30 Nb11 O25 105.10(19) . . ?
O30 Nb11 O62 101.48(19) . . ?
O62 Nb11 O6 85.20(14) . . ?
O62 Nb11 O11 88.37(16) . . ?
O62 Nb11 O24 157.93(15) . . ?
O2 Nb12 O10 83.27(13) . . ?
O37 Nb12 O2 85.78(15) . . ?
O37 Nb12 O10 86.96(14) . . ?
O37 Nb12 O42 150.63(15) . . ?
O42 Nb12 O2 72.08(14) . . ?
O42 Nb12 O10 71.80(13) . . ?
O44 Nb12 O2 156.47(15) . . ?
O44 Nb12 O10 74.59(14) . . ?
O44 Nb12 O37 100.66(17) . . ?
O44 Nb12 O42 93.15(15) . . ?
O47 Nb12 O2 99.21(18) . . ?
O47 Nb12 O10 170.46(17) . . ?
O47 Nb12 O37 102.38(18) . . ?
O47 Nb12 O42 100.08(17) . . ?
O47 Nb12 O44 101.40(18) . . ?
O2 Nb13 O6 84.05(13) . . ?
O13 Nb13 O2 98.10(17) . . ?
O13 Nb13 O6 170.49(17) . . ?
O13 Nb13 O24 100.64(18) . . ?
O13 Nb13 O29 102.26(18) . . ?
O13 Nb13 O42 100.25(17) . . ?
O24 Nb13 O2 158.01(15) . . ?
O24 Nb13 O6 75.63(14) . . ?
O24 Nb13 O42 93.47(16) . . ?
O29 Nb13 O2 86.85(15) . . ?
O29 Nb13 O6 87.08(15) . . ?
O29 Nb13 O24 100.23(17) . . ?
O29 Nb13 O42 150.88(15) . . ?
O42 Nb13 O2 71.84(14) . . ?
O42 Nb13 O6 71.53(13) . . ?
O21 Nb14 O1 84.59(14) . . ?
O26 Nb14 O1 171.51(16) . . ?
O26 Nb14 O21 99.59(18) . . ?
O26 Nb14 O27 101.05(18) . . ?
O26 Nb14 O34 99.67(17) . . ?
O26 Nb14 O68 101.10(17) . . ?
O27 Nb14 O1 74.73(14) . . ?
O27 Nb14 O21 159.29(15) . . ?
O27 Nb14 O34 94.14(16) . . ?
O27 Nb14 O68 94.18(16) . . ?
O34 Nb14 O1 73.59(13) . . ?
O34 Nb14 O21 80.75(15) . . ?
O68 Nb14 O1 86.67(14) . . ?
O68 Nb14 O21 83.43(15) . . ?
O68 Nb14 O34 155.68(15) . . ?
O9 Nb15 O20 169.44(18) . . ?
O9 Nb15 O31 102.9(2) . . ?
O9 Nb15 O41 100.83(19) . . ?
O9 Nb15 O50 99.79(19) . . ?
O9 Nb15 O62 101.82(19) . . ?
O31 Nb15 O20 85.43(15) . . ?
O31 Nb15 O41 91.75(17) . . ?
O31 Nb15 O50 157.15(15) . . ?
O31 Nb15 O62 91.32(17) . . ?
O41 Nb15 O20 72.06(13) . . ?
O41 Nb15 O50 80.98(15) . . ?
O50 Nb15 O20 71.73(13) . . ?
O62 Nb15 O20 84.32(14) . . ?
O62 Nb15 O41 155.84(15) . . ?
O62 Nb15 O50 86.98(16) . . ?
O8 Nb16 O20 76.83(14) . . ?
O8 Nb16 O48 76.59(13) . . ?
O16 Nb16 O8 153.31(15) . . ?
O16 Nb16 O20 84.09(15) . . ?
O16 Nb16 O48 83.70(14) . . ?
O20 Nb16 O48 86.02(13) . . ?
O38 Nb16 O8 95.29(16) . . ?
O38 Nb16 O16 99.52(17) . . ?
O38 Nb16 O20 166.72(15) . . ?
O38 Nb16 O48 81.71(15) . . ?
O38 Nb16 O50 109.06(17) . . ?
O50 Nb16 O8 96.18(16) . . ?
O50 Nb16 O16 99.75(16) . . ?
O50 Nb16 O20 82.69(15) . . ?
O50 Nb16 O48 167.76(16) . . ?
O12 Ge1 O6 110.17(17) . . ?
O12 Ge1 O20 110.18(18) . . ?
O12 Ge1 O46 110.73(17) . . ?
O20 Ge1 O6 111.13(17) . . ?
O46 Ge1 O6 107.14(17) . . ?
O46 Ge1 O20 107.43(17) . . ?
O14 Ge2 O53 105.2(2) . . ?
O21 Ge2 O14 115.46(18) . . ?
O21 Ge2 O53 106.3(2) . . ?
O40 Ge2 O14 111.51(18) . . ?
O40 Ge2 O21 110.40(19) . . ?
O40 Ge2 O53 107.4(2) . . ?
O2 Ge3 O57 104.9(2) . . ?
O23 Ge3 O2 113.50(18) . . ?
O23 Ge3 O57 107.0(2) . . ?
O58 Ge3 O2 112.89(18) . . ?
O58 Ge3 O23 111.64(19) . . ?
O58 Ge3 O57 106.2(2) . . ?
O1 Ge4 O10 109.18(17) . . ?
O1 Ge4 O46 112.56(17) . . ?
O1 Ge4 O48 109.59(17) . . ?
O46 Ge4 O10 106.77(17) . . ?
O48 Ge4 O10 112.16(17) . . ?
O48 Ge4 O46 106.58(17) . . ?
O32 Co1 O32 180.0 2_677 . ?
O51 Co1 O32 86.9(3) 2_677 2_677 ?
O51 Co1 O32 86.9(3) . . ?
O51 Co1 O32 93.1(3) 2_677 . ?
O51 Co1 O32 93.1(3) . 2_677 ?
O51 Co1 O51 180.0(3) . 2_677 ?
O51 Co1 O59 92.8(3) . 2_677 ?
O51 Co1 O59 87.2(3) . . ?
O51 Co1 O59 87.2(3) 2_677 2_677 ?
O51 Co1 O59 92.8(3) 2_677 . ?
O59 Co1 O32 88.3(6) 2_677 . ?
O59 Co1 O32 88.3(6) . 2_677 ?
O59 Co1 O32 91.7(6) . . ?
O59 Co1 O32 91.7(6) 2_677 2_677 ?
O59 Co1 O59 180.0 2_677 . ?
N1 Co2 N4 90.9(2) . . ?
N1 Co2 N8 85.3(2) . . ?
N1 Co2 N12 176.5(2) . . ?
N1 Co2 N14 91.5(2) . . ?
N1 Co2 N16 91.8(2) . . ?
N4 Co2 N8 174.7(2) . . ?
N12 Co2 N4 90.7(2) . . ?
N12 Co2 N8 93.3(2) . . ?
N14 Co2 N4 85.1(2) . . ?
N14 Co2 N8 91.3(2) . . ?
N14 Co2 N12 91.7(2) . . ?
N16 Co2 N4 93.1(2) . . ?
N16 Co2 N8 90.7(2) . . ?
N16 Co2 N12 85.0(2) . . ?
N16 Co2 N14 176.2(3) . . ?
N2 Co3 N6 85.2(2) . . ?
N2 Co3 N7 91.7(2) . . ?
N2 Co3 N19 91.1(2) . . ?
N6 Co3 N7 92.8(2) . . ?
N6 Co3 N19 91.7(2) . . ?
N11 Co3 N2 175.3(2) . . ?
N11 Co3 N6 91.7(2) . . ?
N11 Co3 N7 92.0(2) . . ?
N11 Co3 N19 85.4(2) . . ?
N19 Co3 N7 174.9(2) . . ?
N20 Co3 N2 90.3(2) . . ?
N20 Co3 N6 174.6(2) . . ?
N20 Co3 N7 84.3(2) . . ?
N20 Co3 N11 92.9(2) . . ?
N20 Co3 N19 91.4(2) . . ?
N3 Co4 N9 90.8(3) . . ?
N3 Co4 N15 92.2(2) . . ?
N3 Co4 N17 92.7(3) . . ?
N5 Co4 N3 84.8(3) . . ?
N5 Co4 N9 89.6(3) . . ?
N5 Co4 N15 176.1(3) . . ?
N5 Co4 N17 92.6(2) . . ?
N5 Co4 N18 93.0(3) . . ?
N9 Co4 N17 176.0(3) . . ?
N15 Co4 N9 93.0(3) . . ?
N15 Co4 N17 85.0(2) . . ?
N18 Co4 N3 175.9(3) . . ?
N18 Co4 N9 85.8(3) . . ?
N18 Co4 N15 90.2(2) . . ?
N18 Co4 N17 90.8(3) . . ?
O21 Co5 O34 76.63(14) . . ?
O21 Co5 O55 168.62(17) . . ?
O21 Co5 N10 91.54(18) . . ?
O23 Co5 O21 94.57(15) . . ?
O23 Co5 O34 76.27(14) . . ?
O23 Co5 O55 82.37(16) . . ?
O23 Co5 N10 169.98(18) . . ?
O23 Co5 N13 104.74(18) . . ?
O34 Co5 O55 91.99(17) . . ?
N10 Co5 O34 97.50(18) . . ?
N10 Co5 O55 90.10(19) . . ?
N13 Co5 O21 98.16(18) . . ?
N13 Co5 O34 174.78(18) . . ?
N13 Co5 O55 93.2(2) . . ?
N13 Co5 N10 82.2(2) . . ?
O24 Na1 O18 110.8(3) . . ?
O24 Na1 O60 98.3(2) . . ?
O60 Na1 O18 100.2(2) . . ?
Nb3 O1 Nb6 91.32(12) . . ?
Nb3 O1 Nb14 92.15(12) . . ?
Nb14 O1 Nb6 92.95(12) . . ?
Ge4 O1 Nb3 122.06(18) . . ?
Ge4 O1 Nb6 124.92(18) . . ?
Ge4 O1 Nb14 124.16(18) . . ?
Nb12 O2 Nb13 103.04(15) . . ?
Ge3 O2 Nb12 128.00(19) . . ?
Ge3 O2 Nb13 128.39(19) . . ?
Nb2 O3 Nb5 120.21(19) . . ?
Nb8 O6 Nb11 92.01(13) . . ?
Nb8 O6 Nb13 96.80(13) . . ?
Nb13 O6 Nb11 91.29(12) . . ?
Ge1 O6 Nb8 123.75(18) . . ?
Ge1 O6 Nb11 120.80(17) . . ?
Ge1 O6 Nb13 123.68(18) . . ?
Nb5 O7 Nb3 147.9(2) . . ?
Nb2 O8 Nb7 105.97(16) . . ?
Nb16 O8 Nb2 111.57(16) . . ?
Nb16 O8 Nb7 110.61(16) . . ?
Nb1 O10 Nb12 90.90(12) . . ?
Nb8 O10 Nb1 91.88(13) . . ?
Nb8 O10 Nb12 95.84(13) . . ?
Ge4 O10 Nb1 120.31(18) . . ?
Ge4 O10 Nb8 123.54(18) . . ?
Ge4 O10 Nb12 125.40(18) . . ?
Nb8 O11 Nb11 113.74(18) . . ?
Nb9 O12 Nb4 91.18(13) . . ?
Nb9 O12 Nb10 92.71(13) . . ?
Nb10 O12 Nb4 91.47(12) . . ?
Ge1 O12 Nb4 125.73(18) . . ?
Ge1 O12 Nb9 126.10(19) . . ?
Ge1 O12 Nb10 120.04(18) . . ?
Nb2 O14 Nb7 103.77(15) . . ?
Ge2 O14 Nb2 127.03(19) . . ?
Ge2 O14 Nb7 128.59(19) . . ?
Nb16 O16 Nb8 167.2(2) . . ?
Nb1 O17 Nb3 145.4(2) . . ?
Nb7 O20 Nb15 90.09(12) . . ?
Nb16 O20 Nb7 97.93(14) . . ?
Nb16 O20 Nb15 91.43(13) . . ?
Ge1 O20 Nb7 124.88(18) . . ?
Ge1 O20 Nb15 120.59(18) . . ?
Ge1 O20 Nb16 123.00(18) . . ?
Nb14 O21 Co5 99.19(15) . . ?
Ge2 O21 Nb14 130.3(2) . . ?
Ge2 O21 Co5 130.1(2) . . ?
Nb9 O22 Nb4 120.01(19) . . ?
Ge3 O23 Nb6 132.7(2) . . ?
Ge3 O23 Co5 125.9(2) . . ?
Co5 O23 Nb6 100.79(15) . . ?
Nb11 O24 Na1 122.6(2) . . ?
Nb13 O24 Nb11 119.61(18) . . ?
Nb13 O24 Na1 116.4(2) . . ?
Nb11 O25 Nb10 147.1(2) . . ?
Nb14 O27 Nb3 119.24(18) . . ?
Nb13 O29 Nb9 158.2(2) . . ?
Nb15 O31 Nb10 148.7(2) . . ?
H33A O33 H33B 104.5 . . ?
Nb6 O34 Co5 101.51(16) . . ?
Nb14 O34 Nb6 118.83(18) . . ?
Nb14 O34 Co5 101.16(15) . . ?
Nb6 O36 Nb3 118.92(18) . . ?
Nb12 O37 Nb6 159.6(2) . . ?
Nb16 O38 Nb5 114.45(18) . . ?
Ge2 O40 Nb4 140.2(2) . . ?
Nb7 O41 Nb15 120.70(19) . . ?
Nb8 O42 Nb12 112.24(16) . . ?
Nb8 O42 Nb13 112.26(16) . . ?
Nb12 O42 Nb13 106.68(16) . . ?
Nb12 O44 Nb1 121.02(18) . . ?
Ge4 O46 Ge1 118.40(19) . . ?
Nb2 O48 Nb5 90.20(12) . . ?
Nb16 O48 Nb2 96.69(13) . . ?
Nb16 O48 Nb5 91.23(13) . . ?
Ge4 O48 Nb2 125.84(18) . . ?
Ge4 O48 Nb5 120.06(17) . . ?
Ge4 O48 Nb16 123.51(18) . . ?
Nb16 O50 Nb15 113.76(18) . . ?
Nb9 O51 Co1 144.3(3) . . ?
Nb8 O52 Nb1 113.41(17) . . ?
Nb1 O54 Nb5 150.7(2) . . ?
Ge3 O58 Nb9 138.4(2) . . ?
Na1 O60 H60A 109.5 . . ?
Na1 O60 H60B 109.5 . . ?
H60A O60 H60B 104.4 . . ?
H61A O61 H61B 109.6 . . ?
Nb11 O62 Nb15 146.2(2) . . ?
Nb7 O64 Nb4 155.4(2) . . ?
Nb9 O66 Nb10 118.29(18) . . ?
Nb2 O68 Nb14 160.8(2) . . ?
Nb4 O69 Nb10 121.32(19) . . ?
Co2 N1 H1A 109.7 . . ?
Co2 N1 H1B 109.7 . . ?
H1A N1 H1B 108.2 . . ?
C16 N1 Co2 109.8(5) . . ?
C16 N1 H1A 109.7 . . ?
C16 N1 H1B 109.7 . . ?
Co3 N2 H2C 110.0 . . ?
Co3 N2 H2D 110.0 . . ?
H2C N2 H2D 108.4 . . ?
C20 N2 Co3 108.5(5) . . ?
C20 N2 H2C 110.0 . . ?
C20 N2 H2D 110.0 . . ?
Co4 N3 H3A 109.4 . . ?
Co4 N3 H3B 109.4 . . ?
H3A N3 H3B 108.0 . . ?
C4 N3 Co4 111.0(5) . . ?
C4 N3 H3A 109.4 . . ?
C4 N3 H3B 109.4 . . ?
Co2 N4 H4A 109.5 . . ?
Co2 N4 H4B 109.5 . . ?
H4A N4 H4B 108.1 . . ?
C9 N4 Co2 110.7(4) . . ?
C9 N4 H4A 109.5 . . ?
C9 N4 H4B 109.5 . . ?
Co4 N5 H5C 109.7 . . ?
Co4 N5 H5D 109.7 . . ?
H5C N5 H5D 108.2 . . ?
C3 N5 Co4 109.8(5) . . ?
C3 N5 H5C 109.7 . . ?
C3 N5 H5D 109.7 . . ?
Co3 N6 H6C 109.7 . . ?
Co3 N6 H6D 109.7 . . ?
H6C N6 H6D 108.2 . . ?
C7 N6 Co3 109.9(5) . . ?
C7 N6 H6C 109.7 . . ?
C7 N6 H6D 109.7 . . ?
Co3 N7 H7A 109.8 . . ?
Co3 N7 H7B 109.8 . . ?
H7A N7 H7B 108.2 . . ?
C19 N7 Co3 109.5(4) . . ?
C19 N7 H7A 109.8 . . ?
C19 N7 H7B 109.8 . . ?
Co2 N8 H8A 109.5 . . ?
Co2 N8 H8B 109.5 . . ?
H8A N8 H8B 108.1 . . ?
C11 N8 Co2 110.7(4) . . ?
C11 N8 H8A 109.5 . . ?
C11 N8 H8B 109.5 . . ?
Co4 N9 H9C 109.8 . . ?
Co4 N9 H9D 109.8 . . ?
H9C N9 H9D 108.2 . . ?
C12 N9 Co4 109.5(5) . . ?
C12 N9 H9C 109.8 . . ?
C12 N9 H9D 109.8 . . ?
Co5 N10 H10A 110.3 . . ?
Co5 N10 H10B 110.3 . . ?
H10A N10 H10B 108.6 . . ?
C5 N10 Co5 107.1(4) . . ?
C5 N10 H10A 110.3 . . ?
C5 N10 H10B 110.3 . . ?
C8 N11 Co3 109.0(4) . . ?
Co2 N12 H12A 109.9 . . ?
Co2 N12 H12B 109.9 . . ?
H12A N12 H12B 108.3 . . ?
C14 N12 Co2 108.9(4) . . ?
C14 N12 H12A 109.9 . . ?
C14 N12 H12B 109.9 . . ?
Co5 N13 H13A 109.8 . . ?
Co5 N13 H13B 109.8 . . ?
H13A N13 H13B 108.3 . . ?
C13 N13 Co5 109.2(4) . . ?
C13 N13 H13A 109.8 . . ?
C13 N13 H13B 109.8 . . ?
Co2 N14 H14A 109.9 . . ?
Co2 N14 H14B 109.9 . . ?
H14A N14 H14B 108.3 . . ?
C6 N14 Co2 108.8(4) . . ?
C6 N14 H14A 109.9 . . ?
C6 N14 H14B 109.9 . . ?
Co4 N15 H15A 109.6 . . ?
Co4 N15 H15B 109.6 . . ?
H15A N15 H15B 108.2 . . ?
C1 N15 Co4 110.1(4) . . ?
C1 N15 H15A 109.6 . . ?
C1 N15 H15B 109.6 . . ?
Co2 N16 H16A 109.5 . . ?
Co2 N16 H16B 109.5 . . ?
H16A N16 H16B 108.1 . . ?
C18 N16 Co2 110.8(4) . . ?
C18 N16 H16A 109.5 . . ?
C18 N16 H16B 109.5 . . ?
Co4 N17 H17A 109.7 . . ?
Co4 N17 H17B 109.7 . . ?
H17A N17 H17B 108.2 . . ?
C2 N17 Co4 109.7(4) . . ?
C2 N17 H17A 109.7 . . ?
C2 N17 H17B 109.7 . . ?
Co4 N18 H18C 109.8 . . ?
Co4 N18 H18D 109.8 . . ?
H18C N18 H18D 108.3 . . ?
C15 N18 Co4 109.2(6) . . ?
C15 N18 H18C 109.8 . . ?
C15 N18 H18D 109.8 . . ?
Co3 N19 H19A 109.3 . . ?
Co3 N19 H19B 109.3 . . ?
H19A N19 H19B 108.0 . . ?
C10 N19 Co3 111.5(4) . . ?
C10 N19 H19A 109.3 . . ?
C10 N19 H19B 109.3 . . ?
Co3 N20 H20A 109.6 . . ?
Co3 N20 H20B 109.6 . . ?
H20A N20 H20B 108.1 . . ?
C17 N20 Co3 110.3(4) . . ?
C17 N20 H20A 109.6 . . ?
C17 N20 H20B 109.6 . . ?
N15 C1 H1C 110.3 . . ?
N15 C1 H1D 110.3 . . ?
N15 C1 C2 107.0(6) . . ?
H1C C1 H1D 108.6 . . ?
C2 C1 H1C 110.3 . . ?
C2 C1 H1D 110.3 . . ?
N17 C2 C1 107.5(6) . . ?
N17 C2 H2A 110.2 . . ?
N17 C2 H2B 110.2 . . ?
C1 C2 H2A 110.2 . . ?
C1 C2 H2B 110.2 . . ?
H2A C2 H2B 108.5 . . ?
N5 C3 H3C 109.7 . . ?
N5 C3 H3D 109.7 . . ?
H3C C3 H3D 108.2 . . ?
C4 C3 N5 110.0(7) . . ?
C4 C3 H3C 109.7 . . ?
C4 C3 H3D 109.7 . . ?
N3 C4 C3 110.2(7) . . ?
N3 C4 H4C 109.6 . . ?
N3 C4 H4D 109.6 . . ?
C3 C4 H4C 109.6 . . ?
C3 C4 H4D 109.6 . . ?
H4C C4 H4D 108.1 . . ?
N10 C5 H5A 109.9 . . ?
N10 C5 H5B 109.9 . . ?
N10 C5 C13 109.0(5) . . ?
H5A C5 H5B 108.3 . . ?
C13 C5 H5A 109.9 . . ?
C13 C5 H5B 109.9 . . ?
N14 C6 H6A 110.4 . . ?
N14 C6 H6B 110.4 . . ?
N14 C6 C9 106.8(6) . . ?
H6A C6 H6B 108.6 . . ?
C9 C6 H6A 110.4 . . ?
C9 C6 H6B 110.4 . . ?
N6 C7 H7C 108.6 . . ?
N6 C7 H7D 108.6 . . ?
H7C C7 H7D 107.6 . . ?
C20 C7 N6 114.7(7) . . ?
C20 C7 H7C 108.6 . . ?
C20 C7 H7D 108.6 . . ?
N11 C8 H8C 110.0 . . ?
N11 C8 H8D 110.0 . . ?
N11 C8 C10 108.6(5) . . ?
H8C C8 H8D 108.3 . . ?
C10 C8 H8C 110.0 . . ?
C10 C8 H8D 110.0 . . ?
N4 C9 C6 109.7(6) . . ?
N4 C9 H9A 109.7 . . ?
N4 C9 H9B 109.7 . . ?
C6 C9 H9A 109.7 . . ?
C6 C9 H9B 109.7 . . ?
H9A C9 H9B 108.2 . . ?
N19 C10 C8 109.1(5) . . ?
N19 C10 H10C 109.9 . . ?
N19 C10 H10D 109.9 . . ?
C8 C10 H10C 109.9 . . ?
C8 C10 H10D 109.9 . . ?
H10C C10 H10D 108.3 . . ?
N8 C11 H11A 108.4 . . ?
N8 C11 H11B 108.4 . . ?
H11A C11 H11B 107.4 . . ?
C16 C11 N8 115.7(7) . . ?
C16 C11 H11A 108.4 . . ?
C16 C11 H11B 108.4 . . ?
N9 C12 H12C 108.9 . . ?
N9 C12 H12D 108.9 . . ?
H12C C12 H12D 107.7 . . ?
C15 C12 N9 113.3(10) . . ?
C15 C12 H12C 108.9 . . ?
C15 C12 H12D 108.9 . . ?
N13 C13 C5 110.6(6) . . ?
N13 C13 H13C 109.5 . . ?
N13 C13 H13D 109.5 . . ?
C5 C13 H13C 109.5 . . ?
C5 C13 H13D 109.5 . . ?
H13C C13 H13D 108.1 . . ?
N12 C14 H14C 110.2 . . ?
N12 C14 H14D 110.2 . . ?
N12 C14 C18 107.4(6) . . ?
H14C C14 H14D 108.5 . . ?
C18 C14 H14C 110.2 . . ?
C18 C14 H14D 110.2 . . ?
N18 C15 H15C 108.6 . . ?
N18 C15 H15D 108.6 . . ?
C12 C15 N18 114.5(8) . . ?
C12 C15 H15C 108.6 . . ?
C12 C15 H15D 108.6 . . ?
H15C C15 H15D 107.6 . . ?
N1 C16 H16C 108.2 . . ?
N1 C16 H16D 108.2 . . ?
C11 C16 N1 116.5(8) . . ?
C11 C16 H16C 108.2 . . ?
C11 C16 H16D 108.2 . . ?
H16C C16 H16D 107.3 . . ?
N20 C17 H17C 110.2 . . ?
N20 C17 H17D 110.2 . . ?
N20 C17 C19 107.7(5) . . ?
H17C C17 H17D 108.5 . . ?
C19 C17 H17C 110.2 . . ?
C19 C17 H17D 110.2 . . ?
N16 C18 H18A 110.3 . . ?
N16 C18 H18B 110.3 . . ?
C14 C18 N16 107.2(6) . . ?
C14 C18 H18A 110.3 . . ?
C14 C18 H18B 110.3 . . ?
H18A C18 H18B 108.5 . . ?
N7 C19 C17 106.5(5) . . ?
N7 C19 H19C 110.4 . . ?
N7 C19 H19D 110.4 . . ?
C17 C19 H19C 110.4 . . ?
C17 C19 H19D 110.4 . . ?
H19C C19 H19D 108.6 . . ?
N2 C20 H20C 108.4 . . ?
N2 C20 H20D 108.4 . . ?
C7 C20 N2 115.7(7) . . ?
C7 C20 H20C 108.4 . . ?
C7 C20 H20D 108.4 . . ?
H20C C20 H20D 107.4 . . ?

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
O33 H33A O9 0.87 1.85 2.679(7) 159.3 2_676 yes
O33 H33B O30 0.87 2.19 2.785(7) 125.5 . yes
O60 H60A O45 0.87 1.97 2.737(7) 146.7 1_455 yes
O60 H60B O67 0.87 1.86 2.717(11) 166.7 . yes
N3 H3B O56 0.91 2.17 2.895(7) 135.8 1_665 yes
N5 H5D O69 0.91 2.03 2.856(7) 150.1 . yes
N12 H12B O56 0.91 1.98 2.833(7) 155.1 1_565 yes
N14 H14B O27 0.91 2.06 2.880(6) 149.8 1_565 yes
N15 H15B O56 0.91 2.07 2.868(7) 145.5 1_665 yes
N18 H18D O43 0.91 1.89 2.795(7) 172.4 . yes
N20 H20A O5 0.91 2.01 2.872(6) 157.8 2_566 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co2 N1 C16 C11 13.2(15) . . . . ?
Co2 N4 C9 C6 26.5(8) . . . . ?
Co2 N8 C11 C16 11.7(13) . . . . ?
Co2 N12 C14 C18 42.8(7) . . . . ?
Co2 N14 C6 C9 43.3(7) . . . . ?
Co2 N16 C18 C14 32.5(7) . . . . ?
Co3 N2 C20 C7 22.0(13) . . . . ?
Co3 N6 C7 C20 20.3(12) . . . . ?
Co3 N7 C19 C17 -39.5(6) . . . . ?
Co3 N11 C8 C10 -38.4(6) . . . . ?
Co3 N19 C10 C8 -28.7(6) . . . . ?
Co3 N20 C17 C19 -38.7(6) . . . . ?
Co4 N3 C4 C3 32.6(9) . . . . ?
Co4 N5 C3 C4 31.8(9) . . . . ?
Co4 N9 C12 C15 -26.5(15) . . . . ?
Co4 N15 C1 C2 38.4(8) . . . . ?
Co4 N17 C2 C1 37.9(8) . . . . ?
Co4 N18 C15 C12 -20.6(15) . . . . ?
Co5 N10 C5 C13 -41.2(7) . . . . ?
Co5 N13 C13 C5 -36.7(7) . . . . ?
O1 Nb6 O36 Nb3 -0.89(18) . . . . ?
O1 Ge4 O10 Nb1 -61.5(2) . . . . ?
O1 Ge4 O10 Nb8 -177.1(2) . . . . ?
O1 Ge4 O10 Nb12 54.5(3) . . . . ?
O1 Ge4 O46 Ge1 179.44(19) . . . . ?
O1 Ge4 O48 Nb2 -53.3(3) . . . . ?
O1 Ge4 O48 Nb5 61.8(2) . . . . ?
O1 Ge4 O48 Nb16 176.15(19) . . . . ?
O2 Nb12 O37 Nb6 -52.4(7) . . . . ?
O2 Nb12 O44 Nb1 28.7(5) . . . . ?
O2 Nb13 O29 Nb9 41.1(6) . . . . ?
O2 Ge3 O23 Nb6 -38.2(3) . . . . ?
O2 Ge3 O23 Co5 152.6(2) . . . . ?
O2 Ge3 O58 Nb9 26.1(4) . . . . ?
O3 Nb2 O68 Nb14 -102.9(7) . . . . ?
O6 Nb8 O11 Nb11 5.39(18) . . . . ?
O6 Nb8 O52 Nb1 -19.0(9) . . . . ?
O6 Nb13 O29 Nb9 -43.1(6) . . . . ?
O6 Ge1 O12 Nb4 -178.65(19) . . . . ?
O6 Ge1 O12 Nb9 57.6(3) . . . . ?
O6 Ge1 O12 Nb10 -61.7(2) . . . . ?
O6 Ge1 O20 Nb7 173.30(18) . . . . ?
O6 Ge1 O20 Nb15 58.8(2) . . . . ?
O6 Ge1 O20 Nb16 -55.9(2) . . . . ?
O6 Ge1 O46 Ge4 60.2(2) . . . . ?
O8 Nb2 O68 Nb14 16.5(9) . . . . ?
O8 Nb7 O41 Nb15 82.3(2) . . . . ?
O8 Nb7 O64 Nb4 -0.6(8) . . . . ?
O8 Nb16 O16 Nb8 1.9(13) . . . . ?
O8 Nb16 O38 Nb5 81.32(19) . . . . ?
O8 Nb16 O50 Nb15 -81.4(2) . . . . ?
O10 Nb8 O11 Nb11 23.6(9) . . . . ?
O10 Nb8 O52 Nb1 -4.51(17) . . . . ?
O10 Nb12 O37 Nb6 31.1(7) . . . . ?
O10 Nb12 O44 Nb1 8.31(19) . . . . ?
O10 Ge4 O1 Nb3 62.1(2) . . . . ?
O10 Ge4 O1 Nb6 -56.0(3) . . . . ?
O10 Ge4 O1 Nb14 -179.31(19) . . . . ?
O10 Ge4 O46 Ge1 -60.8(2) . . . . ?
O10 Ge4 O48 Nb2 -174.69(19) . . . . ?
O10 Ge4 O48 Nb5 -59.7(2) . . . . ?
O10 Ge4 O48 Nb16 54.7(3) . . . . ?
O11 Nb8 O52 Nb1 179.91(18) . . . . ?
O12 Ge1 O6 Nb8 179.90(19) . . . . ?
O12 Ge1 O6 Nb11 63.3(2) . . . . ?
O12 Ge1 O6 Nb13 -52.1(2) . . . . ?
O12 Ge1 O20 Nb7 50.9(2) . . . . ?
O12 Ge1 O20 Nb15 -63.6(2) . . . . ?
O12 Ge1 O20 Nb16 -178.30(19) . . . . ?
O12 Ge1 O46 Ge4 -179.7(2) . . . . ?
O13 Nb13 O29 Nb9 138.7(6) . . . . ?
O14 Nb2 O68 Nb14 55.8(7) . . . . ?
O14 Nb7 O41 Nb15 40.3(5) . . . . ?
O14 Nb7 O64 Nb4 -40.4(5) . . . . ?
O14 Ge2 O21 Nb14 39.8(3) . . . . ?
O14 Ge2 O21 Co5 -149.5(2) . . . . ?
O14 Ge2 O40 Nb4 -28.8(4) . . . . ?
O15 Nb6 O36 Nb3 -172.4(2) . . . . ?
O16 Nb8 O11 Nb11 -76.0(2) . . . . ?
O16 Nb8 O52 Nb1 77.3(2) . . . . ?
O16 Nb16 O38 Nb5 -76.4(2) . . . . ?
O16 Nb16 O50 Nb15 77.1(2) . . . . ?
O20 Nb7 O41 Nb15 11.4(2) . . . . ?
O20 Nb7 O64 Nb4 42.7(5) . . . . ?
O20 Nb16 O16 Nb8 -42.4(10) . . . . ?
O20 Nb16 O38 Nb5 28.4(8) . . . . ?
O20 Nb16 O50 Nb15 -5.61(18) . . . . ?
O20 Ge1 O6 Nb8 57.5(2) . . . . ?
O20 Ge1 O6 Nb11 -59.1(2) . . . . ?
O20 Ge1 O6 Nb13 -174.46(18) . . . . ?
O20 Ge1 O12 Nb4 -55.7(3) . . . . ?
O20 Ge1 O12 Nb9 -179.48(19) . . . . ?
O20 Ge1 O12 Nb10 61.2(2) . . . . ?
O20 Ge1 O46 Ge4 -59.3(2) . . . . ?
O21 Ge2 O14 Nb2 -35.8(3) . . . . ?
O21 Ge2 O14 Nb7 154.7(2) . . . . ?
O21 Ge2 O40 Nb4 -158.5(3) . . . . ?
O22 Nb9 O51 Co1 -40.5(4) . . . . ?
O23 Nb6 O36 Nb3 -0.6(5) . . . . ?
O23 Ge3 O2 Nb12 34.0(3) . . . . ?
O23 Ge3 O2 Nb13 -156.2(2) . . . . ?
O23 Ge3 O58 Nb9 155.4(3) . . . . ?
O24 Nb13 O29 Nb9 -118.0(6) . . . . ?
O28 Nb2 O68 Nb14 153.5(7) . . . . ?
O29 Nb9 O51 Co1 135.5(4) . . . . ?
O32 Co1 O51 Nb9 24.5(6) 2_677 . . . ?
O32 Co1 O51 Nb9 -155.5(6) . . . . ?
O34 Nb6 O36 Nb3 -72.0(2) . . . . ?
O37 Nb6 O36 Nb3 84.9(2) . . . . ?
O37 Nb12 O44 Nb1 -75.5(2) . . . . ?
O38 Nb16 O16 Nb8 124.7(10) . . . . ?
O38 Nb16 O50 Nb15 -179.22(17) . . . . ?
O40 Ge2 O14 Nb2 -162.9(2) . . . . ?
O40 Ge2 O14 Nb7 27.6(3) . . . . ?
O40 Ge2 O21 Nb14 167.4(2) . . . . ?
O40 Ge2 O21 Co5 -21.8(3) . . . . ?
O41 Nb7 O64 Nb4 117.8(5) . . . . ?
O42 Nb8 O11 Nb11 80.7(2) . . . . ?
O42 Nb8 O52 Nb1 -79.86(19) . . . . ?
O42 Nb12 O37 Nb6 -11.9(9) . . . . ?
O42 Nb12 O44 Nb1 78.5(2) . . . . ?
O42 Nb13 O29 Nb9 -1.2(9) . . . . ?
O44 Nb12 O37 Nb6 104.8(7) . . . . ?
O45 Nb7 O41 Nb15 178.5(2) . . . . ?
O45 Nb7 O64 Nb4 -139.6(5) . . . . ?
O46 Ge1 O6 Nb8 -59.6(2) . . . . ?
O46 Ge1 O6 Nb11 -176.15(18) . . . . ?
O46 Ge1 O6 Nb13 68.5(2) . . . . ?
O46 Ge1 O12 Nb4 63.0(3) . . . . ?
O46 Ge1 O12 Nb9 -60.8(3) . . . . ?
O46 Ge1 O12 Nb10 179.91(18) . . . . ?
O46 Ge1 O20 Nb7 -69.8(2) . . . . ?
O46 Ge1 O20 Nb15 175.73(18) . . . . ?
O46 Ge1 O20 Nb16 61.0(2) . . . . ?
O46 Ge4 O1 Nb3 -179.53(18) . . . . ?
O46 Ge4 O1 Nb6 62.4(3) . . . . ?
O46 Ge4 O1 Nb14 -60.9(2) . . . . ?
O46 Ge4 O10 Nb1 176.58(17) . . . . ?
O46 Ge4 O10 Nb8 60.9(2) . . . . ?
O46 Ge4 O10 Nb12 -67.5(2) . . . . ?
O46 Ge4 O48 Nb2 68.8(2) . . . . ?
O46 Ge4 O48 Nb5 -176.16(17) . . . . ?
O46 Ge4 O48 Nb16 -61.8(2) . . . . ?
O47 Nb12 O37 Nb6 -150.9(6) . . . . ?
O47 Nb12 O44 Nb1 179.4(2) . . . . ?
O48 Nb2 O68 Nb14 -27.8(7) . . . . ?
O48 Nb16 O16 Nb8 44.2(10) . . . . ?
O48 Nb16 O38 Nb5 5.73(17) . . . . ?
O48 Nb16 O50 Nb15 -28.4(8) . . . . ?
O48 Ge4 O1 Nb3 -61.1(2) . . . . ?
O48 Ge4 O1 Nb6 -179.18(19) . . . . ?
O48 Ge4 O1 Nb14 57.5(2) . . . . ?
O48 Ge4 O10 Nb1 60.2(2) . . . . ?
O48 Ge4 O10 Nb8 -55.5(3) . . . . ?
O48 Ge4 O10 Nb12 176.14(19) . . . . ?
O48 Ge4 O46 Ge1 59.3(2) . . . . ?
O50 Nb16 O16 Nb8 -123.9(10) . . . . ?
O50 Nb16 O38 Nb5 179.74(17) . . . . ?
O52 Nb8 O11 Nb11 -178.38(18) . . . . ?
O53 Ge2 O14 Nb2 81.0(3) . . . . ?
O53 Ge2 O14 Nb7 -88.5(3) . . . . ?
O53 Ge2 O21 Nb14 -76.4(3) . . . . ?
O53 Ge2 O21 Co5 94.4(3) . . . . ?
O53 Ge2 O40 Nb4 86.0(4) . . . . ?
O57 Ge3 O2 Nb12 -82.5(3) . . . . ?
O57 Ge3 O2 Nb13 87.3(3) . . . . ?
O57 Ge3 O23 Nb6 77.1(3) . . . . ?
O57 Ge3 O23 Co5 -92.2(3) . . . . ?
O57 Ge3 O58 Nb9 -88.3(4) . . . . ?
O58 Nb9 O51 Co1 50.2(4) . . . . ?
O58 Ge3 O2 Nb12 162.3(2) . . . . ?
O58 Ge3 O2 Nb13 -27.9(3) . . . . ?
O58 Ge3 O23 Nb6 -167.1(3) . . . . ?
O58 Ge3 O23 Co5 23.6(3) . . . . ?
O59 Co1 O51 Nb9 112.7(7) . . . . ?
O59 Co1 O51 Nb9 -67.3(7) 2_677 . . . ?
O64 Nb7 O41 Nb15 -74.9(2) . . . . ?
O66 Nb9 O51 Co1 -134.6(4) . . . . ?
N5 C3 C4 N3 -42.0(11) . . . . ?
N6 C7 C20 N2 -28.6(16) . . . . ?
N8 C11 C16 N1 -16.6(18) . . . . ?
N9 C12 C15 N18 31.7(19) . . . . ?
N10 C5 C13 N13 53.0(9) . . . . ?
N11 C8 C10 N19 43.6(7) . . . . ?
N12 C14 C18 N16 -48.5(8) . . . . ?
N14 C6 C9 N4 -45.3(8) . . . . ?
N15 C1 C2 N17 -49.4(9) . . . . ?
N20 C17 C19 N7 50.5(7) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.822 -0.004 -0.822 1063.1 307.2 '30 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 2489858'
loop_
_audit_author_name
_audit_author_address
'Xin-Rong Jin'
;Fuzhou University
China
;
_audit_update_record             
;
2025-09-19 deposited with the CCDC.	2025-11-18 downloaded from the CCDC.
;
_audit_creation_date             2025-09-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            CGeNNaNbO
_chemical_name_systematic        {Ge4Nb16}
_chemical_formula_moiety         
'Ge4 Na3 Nb16 O60, Na O6, 5(O), 4(C2 H10 N2), C2 H9 N2'
_chemical_formula_sum            'C10 H49 Ge4 N10 Na4 Nb16 O71'
_chemical_formula_weight         3314.47
_chemical_melting_point          ?
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nb Nb -2.0727 0.6215 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.8461(9)
_cell_length_b                   14.2158(10)
_cell_length_c                   21.6549(15)
_cell_angle_alpha                90.428(2)
_cell_angle_beta                 99.138(2)
_cell_angle_gamma                98.546(2)
_cell_volume                     4159.5(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9945
_cell_measurement_temperature    170
_cell_measurement_theta_max      25.045
_cell_measurement_theta_min      2.431
_shelx_estimated_absorpt_T_max   0.758
_shelx_estimated_absorpt_T_min   0.710
_exptl_absorpt_coefficient_mu    3.669
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5268
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1041 before and 0.0507 after correction.
The Ratio of minimum to maximum transmission is 0.7069.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    2.646
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3150
_exptl_crystal_preparation       1
_exptl_crystal_recrystallization_method 1
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            119674
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.045
_diffrn_reflns_theta_max         25.045
_diffrn_reflns_theta_min         1.906
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13239
_reflns_number_total             14711
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         4.135
_refine_diff_density_min         -1.908
_refine_diff_density_rms         0.166
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1059
_refine_ls_number_reflns         14711
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0330
_refine_ls_restrained_S_all      1.027
_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)+(0.0292P)²+49.1009P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0815
_refine_ls_wR_factor_ref         0.0838
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O63) \\sim Ueq, Uanis(O62) \\sim Ueq, Uanis(O61) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.001
Uanis(O56) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.001
Uanis(C7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.001
Uanis(C4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.001
Uanis(N2) \\sim Ueq, Uanis(O62A) \\sim Ueq, Uanis(N3) \\sim Ueq, Uanis(N1)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.001
Uanis(O57) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.001
3. Others
 Fixed Sof: O60(0.5) O62(0.5) O60A(0.5) O62A(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C1(H1D,H1E), C2(H2D,H2E), C3(H3D,H3E), C4(H4D,H4E), C6(H6D,H6E), C7(H7A,H7B),
 C8(H8A,H8B), C9(H9A,H9B), C10(H10D,H10E)
4.b Aromatic/amide H refined with riding coordinates:
 C5(H5)
4.c Idealised Me refined as rotating group:
 N1(H1A,H1B,H1C), N2(H2A,H2B,H2C), N3(H3A,H3B,H3C), N4(H4A,H4B,H4C), N5(H5A,
 H5B,H5C), N6(H6A,H6B,H6C), N7(H7C,H7D,H7E), N8(H8C,H8D,H8E), N9(H9C,H9D,H9E),
 N10(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Nb1 Nb -0.07847(3) 0.97253(3) 0.14420(2) 0.00792(10) Uani 1 1 d . . . . .
Nb2 Nb 0.02769(4) 1.18760(3) 0.25015(2) 0.00787(10) Uani 1 1 d . . . . .
Nb3 Nb 0.32485(4) 0.57511(3) 0.32829(2) 0.00890(11) Uani 1 1 d . . . . .
Nb4 Nb 0.35783(4) 0.70215(3) 0.17851(2) 0.00926(11) Uani 1 1 d . . . . .
Nb5 Nb 0.16833(3) 1.10229(3) 0.12937(2) 0.00741(10) Uani 1 1 d . . . . .
Nb6 Nb 0.22579(3) 1.18031(3) 0.36519(2) 0.00765(10) Uani 1 1 d . . . . .
Nb7 Nb 0.11194(4) 0.57188(3) 0.19460(2) 0.00874(10) Uani 1 1 d . . . . .
Nb8 Nb 0.00015(4) 1.06197(3) 0.38112(2) 0.00779(10) Uani 1 1 d . . . . .
Nb9 Nb 0.26575(3) 0.90296(3) 0.15297(2) 0.00714(10) Uani 1 1 d . . . . .
Nb10 Nb 0.41968(3) 0.77668(3) 0.41887(2) 0.00817(10) Uani 1 1 d . . . . .
Nb11 Nb 0.01226(3) 0.76955(3) 0.16828(2) 0.00719(10) Uani 1 1 d . . . . .
Nb12 Nb 0.19089(4) 0.65865(3) 0.43286(2) 0.00879(10) Uani 1 1 d . . . . .
Nb13 Nb 0.46687(3) 0.90091(3) 0.26921(2) 0.00767(10) Uani 1 1 d . . . . .
Nb14 Nb 0.36977(3) 1.10439(3) 0.24244(2) 0.00729(10) Uani 1 1 d . . . . .
Nb15 Nb -0.02649(4) 0.64570(3) 0.29918(2) 0.00827(10) Uani 1 1 d . . . . .
Nb16 Nb -0.12367(3) 0.84958(3) 0.27356(2) 0.00758(10) Uani 1 1 d . . . . .
Ge1 Ge 0.03668(4) 0.83164(4) 0.41271(3) 0.00818(12) Uani 1 1 d . . . . .
Ge2 Ge 0.21683(4) 0.78608(4) 0.28932(2) 0.00646(12) Uani 1 1 d . . . . .
Ge3 Ge 0.12961(4) 0.96815(4) 0.26626(2) 0.00603(11) Uani 1 1 d . . . . .
Ge4 Ge 0.38002(4) 1.00978(4) 0.39167(3) 0.00803(12) Uani 1 1 d . . . . .
Na1 Na 0.4717(3) 1.3184(3) 0.36840(19) 0.0623(10) Uiso 1 1 d . . . . .
Na2 Na 0.0769(4) 1.4223(4) 0.3383(2) 0.0845(14) Uani 1 1 d . . . . .
Na3 Na -0.2615(4) 0.6483(3) 0.4046(2) 0.0780(13) Uani 1 1 d . . . . .
Na4 Na -0.40632(19) 0.8232(2) 0.02868(12) 0.0273(6) Uani 1 1 d . . . . .
O1 O -0.0247(3) 1.2864(3) 0.22005(18) 0.0146(8) Uani 1 1 d . . . . .
O2 O 0.4736(3) 0.8335(3) 0.34335(17) 0.0108(8) Uani 1 1 d . . . . .
O3 O 0.4356(3) 0.6501(3) 0.38487(18) 0.0107(8) Uani 1 1 d . . . . .
O4 O 0.1851(3) 0.8907(2) 0.31862(16) 0.0078(7) Uani 1 1 d . . . . .
O5 O -0.1588(3) 1.0042(3) 0.07798(17) 0.0133(8) Uani 1 1 d . . . . .
O6 O 0.1356(3) 0.8342(3) 0.14939(17) 0.0104(8) Uani 1 1 d . . . . .
O7 O -0.0442(3) 1.1554(3) 0.31962(17) 0.0105(8) Uani 1 1 d . . . . .
O8 O 0.3234(3) 0.8129(3) 0.11651(17) 0.0110(8) Uani 1 1 d . . . . .
O9 O -0.0591(3) 1.0824(3) 0.19648(17) 0.0105(8) Uani 1 1 d . . . . .
O10 O 0.3135(3) 1.1694(3) 0.30013(17) 0.0101(8) Uani 1 1 d . . . . .
O11 O -0.0853(3) 0.7302(3) 0.22665(17) 0.0092(8) Uani 1 1 d . . . . .
O12 O 0.0692(3) 0.6256(3) 0.36694(17) 0.0113(8) Uani 1 1 d . . . . .
O13 O 0.3695(3) 0.8995(3) 0.42543(17) 0.0125(8) Uani 1 1 d . . . . .
O14 O 0.5846(3) 0.9692(3) 0.27347(19) 0.0156(9) Uani 1 1 d . . . . .
O15 O -0.1391(3) 0.5924(3) 0.32161(19) 0.0163(9) Uani 1 1 d . . . . .
O16 O 0.1215(3) 1.1482(3) 0.41690(17) 0.0098(8) Uani 1 1 d . . . . .
O17 O 0.2201(3) 0.6446(3) 0.15890(17) 0.0121(8) Uani 1 1 d . . . . .
O18 O 0.1485(3) 1.1709(3) 0.06037(17) 0.0126(8) Uani 1 1 d . . . . .
O19 O -0.0048(3) 0.5503(3) 0.24198(17) 0.0104(8) Uani 1 1 d . . . . .
O20 O 0.2812(3) 1.0657(3) 0.40241(17) 0.0105(8) Uani 1 1 d . . . . .
O21 O 0.1400(3) 0.7806(3) 0.44114(18) 0.0129(8) Uani 1 1 d . . . . .
O22 O 0.1055(3) 1.0673(3) 0.30388(17) 0.0078(7) Uani 1 1 d . . . . .
O23 O 0.1437(3) 1.2553(3) 0.30878(17) 0.0103(8) Uani 1 1 d . . . . .
O24 O 0.3756(3) 0.6381(3) 0.25449(18) 0.0119(8) Uani 1 1 d . . . . .
O25 O -0.0936(3) 0.9592(3) 0.32518(17) 0.0109(8) Uani 1 1 d . . . . .
O26 O 0.3010(3) 0.8206(3) 0.23738(17) 0.0081(7) Uani 1 1 d . . . . .
O27 O 0.3952(3) 1.0011(3) 0.31249(17) 0.0090(8) Uani 1 1 d . . . . .
O28 O 0.3939(3) 0.9793(3) 0.19741(17) 0.0090(8) Uani 1 1 d . . . . .
O29 O 0.3100(3) 1.1536(3) 0.16524(17) 0.0098(8) Uani 1 1 d . . . . .
O30 O -0.2340(3) 0.7894(3) 0.29355(18) 0.0131(8) Uani 1 1 d . . . . .
O31 O 0.1992(3) 0.5451(3) 0.26603(17) 0.0109(8) Uani 1 1 d . . . . .
O32 O 0.0190(3) 0.9028(3) 0.22597(17) 0.0083(7) Uani 1 1 d . . . . .
O33 O 0.2132(3) 1.0041(2) 0.21447(16) 0.0077(7) Uani 1 1 d . . . . .
O34 O -0.0730(3) 1.0833(3) 0.43799(18) 0.0152(8) Uani 1 1 d . . . . .
O35 O 0.4789(3) 0.8007(3) 0.21153(17) 0.0108(8) Uani 1 1 d . . . . .
O36 O 0.0649(3) 0.9534(3) 0.41445(17) 0.0114(8) Uani 1 1 d . . . . .
O37 O -0.0208(3) 0.7853(3) 0.33804(17) 0.0097(8) Uani 1 1 d . . . . .
O38 O 0.5277(3) 0.7959(3) 0.47592(17) 0.0116(8) Uani 1 1 d . . . . .
O39 O 0.1208(3) 1.1764(3) 0.18675(17) 0.0103(8) Uani 1 1 d . . . . .
O40 O 0.4911(3) 1.1655(3) 0.24807(18) 0.0143(8) Uani 1 1 d . . . . .
O41 O 0.0147(3) 0.6501(3) 0.13495(17) 0.0113(8) Uani 1 1 d . . . . .
O42 O -0.1749(3) 0.9036(3) 0.19529(17) 0.0104(8) Uani 1 1 d . . . . .
O43 O 0.3013(3) 1.2713(3) 0.41411(18) 0.0131(8) Uani 1 1 d . . . . .
O44 O 0.2702(3) 0.7225(2) 0.34921(16) 0.0080(7) Uani 1 1 d . . . . .
O45 O 0.2443(3) 0.5524(3) 0.39609(18) 0.0114(8) Uani 1 1 d . . . . .
O46 O 0.1463(3) 0.5926(3) 0.49455(18) 0.0162(9) Uani 1 1 d . . . . .
O47 O -0.0694(3) 0.8316(3) 0.11255(17) 0.0100(8) Uani 1 1 d . . . . .
O48 O 0.3237(3) 0.7169(3) 0.47090(17) 0.0115(8) Uani 1 1 d . . . . .
O49 O 0.0471(3) 1.0107(3) 0.11384(17) 0.0097(8) Uani 1 1 d . . . . .
O50 O 0.3674(3) 0.4646(3) 0.32477(19) 0.0144(8) Uani 1 1 d . . . . .
O51 O 0.1069(3) 0.7201(2) 0.24898(17) 0.0081(7) Uani 1 1 d . . . . .
O52 O 0.0957(3) 0.4625(3) 0.15231(19) 0.0166(9) Uani 1 1 d . . . . .
O53 O 0.4121(3) 0.6341(3) 0.12794(19) 0.0161(9) Uani 1 1 d . . . . .
O54 O 0.2362(3) 0.9917(3) 0.09389(17) 0.0098(8) Uani 1 1 d . . . . .
O55 O -0.0558(3) 0.7976(3) 0.46045(18) 0.0143(8) Uani 1 1 d . . . . .
O56 O 0.4892(3) 1.0829(3) 0.42801(19) 0.0174(9) Uani 1 1 d . U . . .
O69 O -0.0139(5) 1.3932(5) 0.3679(3) 0.0632(19) Uani 1 1 d . . . . .
O57 O -0.3365(3) 0.9806(3) 0.0073(2) 0.0257(10) Uani 1 1 d . U . . .
O58 O -0.2477(3) 0.7693(3) 0.0337(2) 0.0260(10) Uani 1 1 d . . . . .
O59 O -0.4463(3) 0.8143(4) -0.0861(2) 0.0311(11) Uani 1 1 d . . . . .
O60 O -0.3633(8) 0.8124(7) 0.1449(5) 0.019(2) Uani 0.5 1 d . . P A 1
O61 O -0.4897(6) 0.6644(5) 0.0304(4) 0.072(2) Uani 1 1 d . U . . .
O62 O -0.5357(6) 0.9036(6) 0.0505(4) 0.0202(18) Uani 0.5 1 d . U P A 1
O63 O 0.5655(7) 1.3500(6) 0.2501(4) 0.088(2) Uani 1 1 d . U . B 1
O64 O 0.6271(9) 1.2076(7) 0.3922(8) 0.187(8) Uani 1 1 d . . . C 1
O65 O 0.2468(4) 1.4116(3) 0.4760(2) 0.0381(13) Uani 1 1 d . . . D 1
O66 O -0.0577(5) 0.5705(4) 0.0147(3) 0.0510(16) Uani 1 1 d . . . E 1
O67 O -0.1936(6) 0.4074(5) -0.0271(3) 0.069(2) Uani 1 1 d . . . F 1
O68 O 0.5468(6) 1.3641(5) 0.1228(4) 0.084(3) Uani 1 1 d . . . G 1
O70 O -0.0399(5) 0.6179(4) 0.5148(3) 0.0499(15) Uani 1 1 d . . . H 1
O71 O -0.0067(6) 0.6719(5) 0.5768(3) 0.069(2) Uani 1 1 d . . . I 1
O60A O -0.3736(9) 0.8658(11) 0.1412(5) 0.039(3) Uani 0.5 1 d . . P A 2
O62A O -0.5719(9) 0.8531(9) 0.0207(6) 0.048(3) Uani 0.5 1 d . U P A 2
N1 N -0.7566(4) 0.9270(4) -0.2530(2) 0.0223(12) Uani 1 1 d . U . . .
H1A H -0.798677 0.898465 -0.286695 0.027 Uiso 1 1 calc R U . . .
H1B H -0.702079 0.959747 -0.265792 0.027 Uiso 1 1 calc R U . . .
H1C H -0.787628 0.967981 -0.233516 0.027 Uiso 1 1 calc R U . . .
N2 N -0.5717(5) 0.9426(5) -0.1441(3) 0.0461(17) Uani 1 1 d . U . . .
H2A H -0.566799 0.970334 -0.181479 0.055 Uiso 1 1 calc R U . . .
H2B H -0.530234 0.898304 -0.138002 0.055 Uiso 1 1 calc R U . . .
H2C H -0.554640 0.987801 -0.112739 0.055 Uiso 1 1 calc R U . . .
N3 N 0.3733(6) 1.4463(6) 0.0804(4) 0.0540(19) Uani 1 1 d . U . . .
H3A H 0.355035 1.436275 0.038341 0.065 Uiso 1 1 calc R U . . .
H3B H 0.433116 1.427246 0.092655 0.065 Uiso 1 1 calc R U . . .
H3C H 0.377757 1.509405 0.090075 0.065 Uiso 1 1 calc R U . . .
N4 N 0.2518(4) 1.3604(3) 0.2173(2) 0.0162(11) Uani 1 1 d . . . . .
H4A H 0.197829 1.389017 0.204319 0.019 Uiso 1 1 calc R U . . .
H4B H 0.272097 1.372194 0.259022 0.019 Uiso 1 1 calc R U . . .
H4C H 0.235748 1.296465 0.209601 0.019 Uiso 1 1 calc R U . . .
N5 N -0.2361(4) 1.0402(3) 0.4930(2) 0.0148(10) Uani 1 1 d . . . . .
H5A H -0.177775 1.057252 0.478826 0.018 Uiso 1 1 calc R U . . .
H5B H -0.226626 1.002342 0.526474 0.018 Uiso 1 1 calc R U . . .
H5C H -0.258906 1.093341 0.504773 0.018 Uiso 1 1 calc R U . . .
N6 N -0.2692(4) 0.8242(4) 0.4636(2) 0.0167(11) Uani 1 1 d . . . . .
H6A H -0.259291 0.770249 0.444185 0.020 Uiso 1 1 calc R U . . .
H6B H -0.326759 0.812861 0.479388 0.020 Uiso 1 1 calc R U . . .
H6C H -0.217968 0.842240 0.495309 0.020 Uiso 1 1 calc R U . . .
N7 N -0.2910(7) 0.6253(8) 0.2079(5) 0.089(3) Uani 1 1 d . . . . .
H7C H -0.271837 0.604386 0.172594 0.106 Uiso 1 1 calc R U . . .
H7D H -0.248431 0.611519 0.242012 0.106 Uiso 1 1 calc R U . . .
H7E H -0.290425 0.689305 0.206695 0.106 Uiso 1 1 calc R U . . .
N8 N -0.4156(3) 0.6821(3) 0.3007(2) 0.0079(9) Uani 1 1 d . . . . .
H8C H -0.451529 0.713807 0.271152 0.009 Uiso 1 1 calc R U . . .
H8D H -0.353390 0.714971 0.310866 0.009 Uiso 1 1 calc R U . . .
H8E H -0.445203 0.676534 0.335368 0.009 Uiso 1 1 calc R U . . .
N9 N 0.0183(4) 0.3011(4) 0.0792(3) 0.0261(13) Uani 1 1 d . . . . .
H9C H 0.025370 0.345042 0.049225 0.031 Uiso 1 1 calc R U . . .
H9D H 0.064820 0.262088 0.079508 0.031 Uiso 1 1 calc R U . . .
H9E H 0.026081 0.331317 0.117249 0.031 Uiso 1 1 calc R U . . .
N10 N -0.0525(4) 0.1141(3) -0.0040(2) 0.0138(10) Uani 1 1 d . . . . .
H10A H -0.061676 0.093258 -0.044698 0.017 Uiso 1 1 calc R U . . .
H10B H -0.078921 0.067102 0.019396 0.017 Uiso 1 1 calc R U . . .
H10C H 0.013375 0.129759 0.010375 0.017 Uiso 1 1 calc R U . . .
C1 C -0.0814(5) 0.2442(5) 0.0655(3) 0.0212(14) Uani 1 1 d . . . . .
H1D H -0.131596 0.285641 0.069870 0.025 Uiso 1 1 calc R U . . .
H1E H -0.087119 0.193506 0.096360 0.025 Uiso 1 1 calc R U . . .
C2 C 0.3327(5) 1.3985(5) 0.1828(3) 0.0290(16) Uani 1 1 d . . . . .
H2D H 0.388666 1.362498 0.193681 0.035 Uiso 1 1 calc R U . . .
H2E H 0.356511 1.465929 0.195932 0.035 Uiso 1 1 calc R U . . .
C3 C 0.2994(6) 1.3919(5) 0.1127(3) 0.0358(18) Uani 1 1 d . . . . .
H3D H 0.288586 1.324384 0.098206 0.043 Uiso 1 1 calc R U . . .
H3E H 0.235848 1.416691 0.102406 0.043 Uiso 1 1 calc R U . . .
C4 C -0.4102(6) 0.5835(5) 0.2748(4) 0.0356(18) Uani 1 1 d . U . . .
H4D H -0.360586 0.554881 0.303744 0.043 Uiso 1 1 calc R U . . .
H4E H -0.475185 0.543238 0.274347 0.043 Uiso 1 1 calc R U . . .
C5 C -0.3844(8) 0.5810(7) 0.2117(5) 0.059(3) Uani 1 1 d . . . . .
H5 H -0.428756 0.551388 0.176551 0.070 Uiso 1 1 calc R U . . .
C6 C -0.2748(4) 0.9017(4) 0.4176(3) 0.0158(12) Uani 1 1 d . . . . .
H6D H -0.320264 0.876665 0.379069 0.019 Uiso 1 1 calc R U . . .
H6E H -0.208430 0.921342 0.406162 0.019 Uiso 1 1 calc R U . . .
C7 C -0.3101(4) 0.9872(4) 0.4422(3) 0.0166(12) Uani 1 1 d . U . . .
H7A H -0.324464 1.030401 0.407413 0.020 Uiso 1 1 calc R U . . .
H7B H -0.372533 0.966422 0.458456 0.020 Uiso 1 1 calc R U . . .
C8 C -0.7258(7) 0.8521(6) -0.2078(6) 0.065(3) Uani 1 1 d . . . . .
H8A H -0.784890 0.805952 -0.202833 0.078 Uiso 1 1 calc R U . . .
H8B H -0.679249 0.817061 -0.225402 0.078 Uiso 1 1 calc R U . . .
C9 C -0.6770(7) 0.8950(10) -0.1444(5) 0.076(4) Uani 1 1 d . . . . .
H9A H -0.677184 0.844365 -0.113327 0.091 Uiso 1 1 calc R U . . .
H9B H -0.716157 0.942535 -0.131622 0.091 Uiso 1 1 calc R U . . .
C10 C -0.1025(5) 0.1996(4) 0.0006(3) 0.0180(13) Uani 1 1 d . . . . .
H10D H -0.174806 0.180788 -0.011698 0.022 Uiso 1 1 calc R U . . .
H10E H -0.079773 0.247205 -0.029198 0.022 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Nb1 Nb11 3.3268(7) . ?
Nb1 O5 1.775(4) . ?
Nb1 O9 1.883(4) . ?
Nb1 O32 2.367(4) . ?
Nb1 O42 2.016(4) . ?
Nb1 O47 2.140(4) . ?
Nb1 O49 1.959(4) . ?
Nb2 O1 1.757(4) . ?
Nb2 O7 1.953(4) . ?
Nb2 O9 2.007(4) . ?
Nb2 O22 2.370(4) . ?
Nb2 O23 1.998(4) . ?
Nb2 O39 2.047(4) . ?
Nb3 O3 1.972(4) . ?
Nb3 O24 2.010(4) . ?
Nb3 O31 2.013(4) . ?
Nb3 O44 2.395(4) . ?
Nb3 O45 1.981(4) . ?
Nb3 O50 1.763(4) . ?
Nb4 Nb9 3.3109(7) . ?
Nb4 O8 2.136(4) . ?
Nb4 O17 1.939(4) . ?
Nb4 O24 1.886(4) . ?
Nb4 O26 2.400(4) . ?
Nb4 O35 2.047(4) . ?
Nb4 O53 1.778(4) . ?
Nb5 O18 1.797(4) . ?
Nb5 O29 2.016(4) . ?
Nb5 O33 2.380(4) . ?
Nb5 O39 1.880(4) . ?
Nb5 O49 1.947(4) . ?
Nb5 O54 2.144(4) . ?
Nb6 O10 2.020(4) . ?
Nb6 O16 1.968(4) . ?
Nb6 O20 2.022(4) . ?
Nb6 O22 2.364(4) . ?
Nb6 O23 1.964(4) . ?
Nb6 O43 1.765(4) . ?
Nb7 Nb11 3.3247(7) . ?
Nb7 O17 1.957(4) . ?
Nb7 O19 2.036(4) . ?
Nb7 O31 1.884(4) . ?
Nb7 O41 2.153(4) . ?
Nb7 O51 2.421(4) . ?
Nb7 O52 1.766(4) . ?
Nb8 O7 1.981(4) . ?
Nb8 O16 1.971(4) . ?
Nb8 O22 2.382(4) . ?
Nb8 O25 2.049(4) . ?
Nb8 O34 1.765(4) . ?
Nb8 O36 1.982(4) . ?
Nb9 O6 1.909(4) . ?
Nb9 O8 1.840(4) . ?
Nb9 O26 2.206(4) . ?
Nb9 O28 2.030(4) . ?
Nb9 O33 2.227(4) . ?
Nb9 O54 1.846(4) . ?
Nb10 O2 2.028(4) . ?
Nb10 O3 1.995(4) . ?
Nb10 O13 1.985(4) . ?
Nb10 O38 1.768(4) . ?
Nb10 O44 2.381(4) . ?
Nb10 O48 1.978(4) . ?
Nb11 O6 1.920(4) . ?
Nb11 O11 2.016(4) . ?
Nb11 O32 2.244(4) . ?
Nb11 O41 1.846(4) . ?
Nb11 O47 1.842(4) . ?
Nb11 O51 2.198(4) . ?
Nb12 O12 2.022(4) . ?
Nb12 O21 1.983(4) . ?
Nb12 O44 2.382(4) . ?
Nb12 O45 1.991(4) . ?
Nb12 O46 1.777(4) . ?
Nb12 O48 1.950(4) . ?
Nb13 O2 1.872(4) . ?
Nb13 O14 1.758(4) . ?
Nb13 O26 2.400(4) . ?
Nb13 O27 2.141(4) . ?
Nb13 O28 2.131(4) . ?
Nb13 O35 1.930(4) . ?
Nb14 O10 1.878(4) . ?
Nb14 O27 2.145(4) . ?
Nb14 O28 2.117(4) . ?
Nb14 O29 1.928(4) . ?
Nb14 O33 2.398(4) . ?
Nb14 O40 1.758(4) . ?
Nb15 Na2 3.723(5) 1_545 ?
Nb15 O11 2.117(4) . ?
Nb15 O12 1.868(4) . ?
Nb15 O15 1.771(4) . ?
Nb15 O19 1.917(4) . ?
Nb15 O37 2.135(4) . ?
Nb15 O51 2.406(4) . ?
Nb16 O11 2.147(4) . ?
Nb16 O25 1.867(4) . ?
Nb16 O30 1.755(4) . ?
Nb16 O32 2.398(4) . ?
Nb16 O37 2.142(4) . ?
Nb16 O42 1.941(4) . ?
Ge1 O21 1.728(4) . ?
Ge1 O36 1.716(4) . ?
Ge1 O37 1.761(4) . ?
Ge1 O55 1.785(4) . ?
Ge2 O4 1.754(4) . ?
Ge2 O26 1.766(4) . ?
Ge2 O44 1.719(4) . ?
Ge2 O51 1.761(4) . ?
Ge3 O4 1.755(4) . ?
Ge3 O22 1.724(4) . ?
Ge3 O32 1.764(4) . ?
Ge3 O33 1.762(4) . ?
Ge4 O13 1.731(4) . ?
Ge4 O20 1.726(4) . ?
Ge4 O27 1.766(4) . ?
Ge4 O56 1.769(4) . ?
Na1 O43 2.698(6) . ?
Na1 O50 2.790(6) 1_565 ?
Na1 O64 2.837(12) . ?
Na2 O12 2.973(6) 1_565 ?
Na2 O19 2.977(6) 1_565 ?
Na2 O23 2.778(6) . ?
Na2 O31 2.894(6) 1_565 ?
Na2 O45 2.851(6) 1_565 ?
Na2 O69 1.505(8) . ?
Na2 O71 2.516(9) 2_576 ?
Na3 O15 2.843(6) . ?
Na3 O65 2.713(7) 2_576 ?
Na4 O57 2.381(5) . ?
Na4 O58 2.418(5) . ?
Na4 O59 2.458(5) . ?
Na4 O60 2.504(11) . ?
Na4 O61 2.382(8) . ?
Na4 O62 2.368(9) . ?
Na4 O60A 2.461(12) . ?
Na4 O62A 2.373(12) . ?
O69 O71 1.535(9) 2_576 ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N1 H1C 0.9100 . ?
N1 C8 1.513(11) . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
N2 H2C 0.9100 . ?
N2 C9 1.513(12) . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N3 H3C 0.9100 . ?
N3 C3 1.461(10) . ?
N4 H4A 0.9100 . ?
N4 H4B 0.9100 . ?
N4 H4C 0.9100 . ?
N4 C2 1.483(8) . ?
N5 H5A 0.9100 . ?
N5 H5B 0.9100 . ?
N5 H5C 0.9100 . ?
N5 C7 1.493(7) . ?
N6 H6A 0.9100 . ?
N6 H6B 0.9100 . ?
N6 H6C 0.9100 . ?
N6 C6 1.494(7) . ?
N7 H7C 0.9100 . ?
N7 H7D 0.9100 . ?
N7 H7E 0.9100 . ?
N7 C5 1.367(13) . ?
N8 H8C 0.9100 . ?
N8 H8D 0.9100 . ?
N8 H8E 0.9100 . ?
N8 C4 1.522(8) . ?
N9 H9C 0.9100 . ?
N9 H9D 0.9100 . ?
N9 H9E 0.9100 . ?
N9 C1 1.478(8) . ?
N10 H10A 0.9100 . ?
N10 H10B 0.9100 . ?
N10 H10C 0.9100 . ?
N10 C10 1.495(7) . ?
C1 H1D 0.9900 . ?
C1 H1E 0.9900 . ?
C1 C10 1.505(8) . ?
C2 H2D 0.9900 . ?
C2 H2E 0.9900 . ?
C2 C3 1.512(10) . ?
C3 H3D 0.9900 . ?
C3 H3E 0.9900 . ?
C4 H4D 0.9900 . ?
C4 H4E 0.9900 . ?
C4 C5 1.469(12) . ?
C5 H5 0.9500 . ?
C6 H6D 0.9900 . ?
C6 H6E 0.9900 . ?
C6 C7 1.500(8) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.511(16) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10D 0.9900 . ?
C10 H10E 0.9900 . ?

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
O5 Nb1 Nb11 128.33(13) . . ?
O5 Nb1 O9 102.16(17) . . ?
O5 Nb1 O32 170.08(15) . . ?
O5 Nb1 O42 101.91(17) . . ?
O5 Nb1 O47 97.72(16) . . ?
O5 Nb1 O49 98.03(17) . . ?
O9 Nb1 Nb11 129.51(11) . . ?
O9 Nb1 O32 87.22(14) . . ?
O9 Nb1 O42 91.49(15) . . ?
O9 Nb1 O47 160.08(15) . . ?
O9 Nb1 O49 92.13(16) . . ?
O32 Nb1 Nb11 42.37(9) . . ?
O42 Nb1 Nb11 79.22(11) . . ?
O42 Nb1 O32 74.35(13) . . ?
O42 Nb1 O47 83.32(15) . . ?
O47 Nb1 Nb11 30.61(10) . . ?
O47 Nb1 O32 72.86(13) . . ?
O49 Nb1 Nb11 82.14(11) . . ?
O49 Nb1 O32 84.66(14) . . ?
O49 Nb1 O42 158.49(15) . . ?
O49 Nb1 O47 86.11(14) . . ?
O1 Nb2 O7 101.62(17) . . ?
O1 Nb2 O9 100.38(17) . . ?
O1 Nb2 O22 172.01(16) . . ?
O1 Nb2 O23 99.32(17) . . ?
O1 Nb2 O39 98.94(17) . . ?
O7 Nb2 O9 90.79(15) . . ?
O7 Nb2 O22 74.59(14) . . ?
O7 Nb2 O23 91.00(15) . . ?
O7 Nb2 O39 159.28(15) . . ?
O9 Nb2 O22 86.81(14) . . ?
O9 Nb2 O39 82.98(15) . . ?
O23 Nb2 O9 159.43(15) . . ?
O23 Nb2 O22 73.94(14) . . ?
O23 Nb2 O39 88.17(15) . . ?
O39 Nb2 O22 85.31(13) . . ?
O3 Nb3 O24 89.78(15) . . ?
O3 Nb3 O31 159.62(15) . . ?
O3 Nb3 O44 74.23(14) . . ?
O3 Nb3 O45 92.28(15) . . ?
O24 Nb3 O31 82.32(15) . . ?
O24 Nb3 O44 86.64(14) . . ?
O31 Nb3 O44 86.53(14) . . ?
O45 Nb3 O24 158.23(15) . . ?
O45 Nb3 O31 88.40(15) . . ?
O45 Nb3 O44 73.12(14) . . ?
O50 Nb3 O3 101.28(17) . . ?
O50 Nb3 O24 100.48(17) . . ?
O50 Nb3 O31 98.63(17) . . ?
O50 Nb3 O44 171.67(16) . . ?
O50 Nb3 O45 100.35(17) . . ?
O8 Nb4 Nb9 30.88(10) . . ?
O8 Nb4 O26 72.39(13) . . ?
O17 Nb4 Nb9 83.42(11) . . ?
O17 Nb4 O8 88.09(15) . . ?
O17 Nb4 O26 86.21(14) . . ?
O17 Nb4 O35 159.06(15) . . ?
O24 Nb4 Nb9 127.30(12) . . ?
O24 Nb4 O8 157.96(15) . . ?
O24 Nb4 O17 92.01(16) . . ?
O24 Nb4 O26 85.62(14) . . ?
O24 Nb4 O35 89.86(16) . . ?
O26 Nb4 Nb9 41.76(9) . . ?
O35 Nb4 Nb9 78.90(10) . . ?
O35 Nb4 O8 82.49(15) . . ?
O35 Nb4 O26 73.14(13) . . ?
O53 Nb4 Nb9 129.59(13) . . ?
O53 Nb4 O8 98.72(16) . . ?
O53 Nb4 O17 100.88(17) . . ?
O53 Nb4 O24 102.89(18) . . ?
O53 Nb4 O26 168.60(15) . . ?
O53 Nb4 O35 99.02(17) . . ?
O18 Nb5 O29 101.80(16) . . ?
O18 Nb5 O33 171.83(15) . . ?
O18 Nb5 O39 100.40(17) . . ?
O18 Nb5 O49 98.91(16) . . ?
O18 Nb5 O54 99.95(16) . . ?
O29 Nb5 O33 74.02(13) . . ?
O29 Nb5 O54 82.10(15) . . ?
O39 Nb5 O29 91.70(16) . . ?
O39 Nb5 O33 86.87(14) . . ?
O39 Nb5 O49 93.75(16) . . ?
O39 Nb5 O54 159.55(15) . . ?
O49 Nb5 O29 157.25(15) . . ?
O49 Nb5 O33 84.23(14) . . ?
O49 Nb5 O54 85.16(15) . . ?
O54 Nb5 O33 72.70(13) . . ?
O10 Nb6 O20 84.92(15) . . ?
O10 Nb6 O22 87.42(14) . . ?
O16 Nb6 O10 160.78(15) . . ?
O16 Nb6 O20 85.58(15) . . ?
O16 Nb6 O22 75.12(14) . . ?
O20 Nb6 O22 84.98(14) . . ?
O23 Nb6 O10 90.76(15) . . ?
O23 Nb6 O16 92.28(15) . . ?
O23 Nb6 O20 159.37(15) . . ?
O23 Nb6 O22 74.66(14) . . ?
O43 Nb6 O10 99.50(17) . . ?
O43 Nb6 O16 98.56(17) . . ?
O43 Nb6 O20 99.73(17) . . ?
O43 Nb6 O22 171.91(16) . . ?
O43 Nb6 O23 100.88(17) . . ?
O17 Nb7 Nb11 82.48(11) . . ?
O17 Nb7 O19 157.00(15) . . ?
O17 Nb7 O41 86.61(15) . . ?
O17 Nb7 O51 84.91(14) . . ?
O19 Nb7 Nb11 77.60(10) . . ?
O19 Nb7 O41 82.21(15) . . ?
O19 Nb7 O51 72.55(13) . . ?
O31 Nb7 Nb11 127.19(11) . . ?
O31 Nb7 O17 91.76(16) . . ?
O31 Nb7 O19 91.21(15) . . ?
O31 Nb7 O41 158.07(15) . . ?
O31 Nb7 O51 85.92(14) . . ?
O41 Nb7 Nb11 30.93(10) . . ?
O41 Nb7 O51 72.14(13) . . ?
O51 Nb7 Nb11 41.35(9) . . ?
O52 Nb7 Nb11 132.57(14) . . ?
O52 Nb7 O17 101.14(17) . . ?
O52 Nb7 O19 100.77(17) . . ?
O52 Nb7 O31 100.13(18) . . ?
O52 Nb7 O41 101.65(17) . . ?
O52 Nb7 O51 171.22(16) . . ?
O7 Nb8 O22 73.83(14) . . ?
O7 Nb8 O25 87.19(15) . . ?
O7 Nb8 O36 158.05(15) . . ?
O16 Nb8 O7 93.25(15) . . ?
O16 Nb8 O22 74.62(14) . . ?
O16 Nb8 O25 160.48(15) . . ?
O16 Nb8 O36 88.57(15) . . ?
O25 Nb8 O22 86.81(14) . . ?
O34 Nb8 O7 98.07(17) . . ?
O34 Nb8 O16 98.00(17) . . ?
O34 Nb8 O22 168.42(16) . . ?
O34 Nb8 O25 101.27(17) . . ?
O34 Nb8 O36 103.34(17) . . ?
O36 Nb8 O22 85.63(14) . . ?
O36 Nb8 O25 83.96(15) . . ?
O6 Nb9 Nb4 89.57(11) . . ?
O6 Nb9 O26 84.25(14) . . ?
O6 Nb9 O28 153.95(15) . . ?
O6 Nb9 O33 83.73(14) . . ?
O8 Nb9 Nb4 36.58(11) . . ?
O8 Nb9 O6 99.42(16) . . ?
O8 Nb9 O26 82.70(15) . . ?
O8 Nb9 O28 96.26(16) . . ?
O8 Nb9 O33 168.76(15) . . ?
O8 Nb9 O54 108.03(16) . . ?
O26 Nb9 Nb4 46.44(9) . . ?
O26 Nb9 O33 86.91(13) . . ?
O28 Nb9 Nb4 90.77(10) . . ?
O28 Nb9 O26 77.24(14) . . ?
O28 Nb9 O33 77.18(14) . . ?
O33 Nb9 Nb4 133.33(9) . . ?
O54 Nb9 Nb4 144.58(11) . . ?
O54 Nb9 O6 98.14(16) . . ?
O54 Nb9 O26 168.32(15) . . ?
O54 Nb9 O28 96.60(15) . . ?
O54 Nb9 O33 82.01(14) . . ?
O2 Nb10 O44 86.73(14) . . ?
O3 Nb10 O2 86.96(15) . . ?
O3 Nb10 O44 74.15(14) . . ?
O13 Nb10 O2 84.68(15) . . ?
O13 Nb10 O3 159.88(16) . . ?
O13 Nb10 O44 87.11(14) . . ?
O38 Nb10 O2 100.53(16) . . ?
O38 Nb10 O3 98.66(16) . . ?
O38 Nb10 O13 100.84(17) . . ?
O38 Nb10 O44 169.63(15) . . ?
O38 Nb10 O48 99.66(16) . . ?
O48 Nb10 O2 159.75(15) . . ?
O48 Nb10 O3 91.55(15) . . ?
O48 Nb10 O13 90.02(15) . . ?
O48 Nb10 O44 73.46(14) . . ?
Nb7 Nb11 Nb1 177.64(2) . . ?
O6 Nb11 Nb1 87.93(11) . . ?
O6 Nb11 Nb7 90.10(11) . . ?
O6 Nb11 O11 153.08(15) . . ?
O6 Nb11 O32 82.54(14) . . ?
O6 Nb11 O51 83.55(15) . . ?
O11 Nb11 Nb1 89.94(10) . . ?
O11 Nb11 Nb7 91.23(10) . . ?
O11 Nb11 O32 77.01(14) . . ?
O11 Nb11 O51 77.93(14) . . ?
O32 Nb11 Nb1 45.30(9) . . ?
O32 Nb11 Nb7 133.11(9) . . ?
O41 Nb11 Nb1 144.92(12) . . ?
O41 Nb11 Nb7 36.83(12) . . ?
O41 Nb11 O6 99.47(16) . . ?
O41 Nb11 O11 97.61(16) . . ?
O41 Nb11 O32 169.26(15) . . ?
O41 Nb11 O51 83.36(15) . . ?
O47 Nb11 Nb1 36.26(11) . . ?
O47 Nb11 Nb7 145.46(11) . . ?
O47 Nb11 O6 97.01(16) . . ?
O47 Nb11 O11 97.03(16) . . ?
O47 Nb11 O32 81.41(15) . . ?
O47 Nb11 O41 108.66(17) . . ?
O47 Nb11 O51 167.61(15) . . ?
O51 Nb11 Nb1 131.68(9) . . ?
O51 Nb11 Nb7 46.71(9) . . ?
O51 Nb11 O32 86.40(13) . . ?
O12 Nb12 O44 85.47(14) . . ?
O21 Nb12 O12 84.14(15) . . ?
O21 Nb12 O44 89.07(14) . . ?
O21 Nb12 O45 160.82(16) . . ?
O45 Nb12 O12 87.03(15) . . ?
O45 Nb12 O44 73.25(14) . . ?
O46 Nb12 O12 97.86(17) . . ?
O46 Nb12 O21 102.14(17) . . ?
O46 Nb12 O44 168.55(16) . . ?
O46 Nb12 O45 95.90(17) . . ?
O46 Nb12 O48 103.23(18) . . ?
O48 Nb12 O12 158.91(15) . . ?
O48 Nb12 O21 91.04(16) . . ?
O48 Nb12 O44 73.91(14) . . ?
O48 Nb12 O45 91.12(16) . . ?
O2 Nb13 O26 89.16(14) . . ?
O2 Nb13 O27 88.34(15) . . ?
O2 Nb13 O28 153.19(15) . . ?
O2 Nb13 O35 99.52(16) . . ?
O14 Nb13 O2 104.79(18) . . ?
O14 Nb13 O26 165.85(16) . . ?
O14 Nb13 O27 98.96(16) . . ?
O14 Nb13 O28 96.19(16) . . ?
O14 Nb13 O35 99.76(17) . . ?
O27 Nb13 O26 83.58(13) . . ?
O28 Nb13 O26 71.25(13) . . ?
O28 Nb13 O27 71.83(14) . . ?
O35 Nb13 O26 75.10(14) . . ?
O35 Nb13 O27 157.07(15) . . ?
O35 Nb13 O28 93.05(15) . . ?
O10 Nb14 O27 87.63(15) . . ?
O10 Nb14 O28 152.85(15) . . ?
O10 Nb14 O29 100.20(16) . . ?
O10 Nb14 O33 88.46(14) . . ?
O27 Nb14 O33 83.54(13) . . ?
O28 Nb14 O27 72.03(14) . . ?
O28 Nb14 O33 71.90(13) . . ?
O29 Nb14 O27 156.92(15) . . ?
O29 Nb14 O28 92.80(15) . . ?
O29 Nb14 O33 75.08(14) . . ?
O40 Nb14 O10 104.22(17) . . ?
O40 Nb14 O27 99.15(16) . . ?
O40 Nb14 O28 96.80(16) . . ?
O40 Nb14 O29 99.88(17) . . ?
O40 Nb14 O33 167.10(16) . . ?
O11 Nb15 Na2 145.89(13) . 1_545 ?
O11 Nb15 O37 72.41(14) . . ?
O11 Nb15 O51 71.52(13) . . ?
O12 Nb15 Na2 52.26(14) . 1_545 ?
O12 Nb15 O11 151.99(15) . . ?
O12 Nb15 O19 98.84(16) . . ?
O12 Nb15 O37 87.56(15) . . ?
O12 Nb15 O51 87.39(15) . . ?
O15 Nb15 Na2 88.87(15) . 1_545 ?
O15 Nb15 O11 98.56(17) . . ?
O15 Nb15 O12 103.68(18) . . ?
O15 Nb15 O19 101.09(17) . . ?
O15 Nb15 O37 98.36(16) . . ?
O15 Nb15 O51 168.76(16) . . ?
O19 Nb15 Na2 52.59(14) . 1_545 ?
O19 Nb15 O11 93.31(15) . . ?
O19 Nb15 O37 157.40(15) . . ?
O19 Nb15 O51 74.85(14) . . ?
O37 Nb15 Na2 139.62(13) . 1_545 ?
O37 Nb15 O51 83.88(13) . . ?
O51 Nb15 Na2 96.56(11) . 1_545 ?
O11 Nb16 O32 71.33(13) . . ?
O25 Nb16 O11 153.25(15) . . ?
O25 Nb16 O32 89.12(14) . . ?
O25 Nb16 O37 88.55(15) . . ?
O25 Nb16 O42 99.92(16) . . ?
O30 Nb16 O11 96.15(16) . . ?
O30 Nb16 O25 104.72(17) . . ?
O30 Nb16 O32 165.99(15) . . ?
O30 Nb16 O37 98.63(16) . . ?
O30 Nb16 O42 100.11(17) . . ?
O37 Nb16 O11 71.69(14) . . ?
O37 Nb16 O32 83.64(13) . . ?
O42 Nb16 O11 92.56(15) . . ?
O42 Nb16 O32 74.89(14) . . ?
O42 Nb16 O37 156.68(15) . . ?
O21 Ge1 O37 112.45(18) . . ?
O21 Ge1 O55 108.54(18) . . ?
O36 Ge1 O21 110.81(18) . . ?
O36 Ge1 O37 112.25(17) . . ?
O36 Ge1 O55 109.30(18) . . ?
O37 Ge1 O55 103.14(18) . . ?
O4 Ge2 O26 107.00(17) . . ?
O4 Ge2 O51 106.95(17) . . ?
O44 Ge2 O4 110.61(17) . . ?
O44 Ge2 O26 110.40(17) . . ?
O44 Ge2 O51 111.15(17) . . ?
O51 Ge2 O26 110.58(17) . . ?
O4 Ge3 O32 107.04(17) . . ?
O4 Ge3 O33 106.89(17) . . ?
O22 Ge3 O4 112.23(17) . . ?
O22 Ge3 O32 110.54(17) . . ?
O22 Ge3 O33 109.16(17) . . ?
O33 Ge3 O32 110.92(17) . . ?
O13 Ge4 O27 111.63(17) . . ?
O13 Ge4 O56 110.13(19) . . ?
O20 Ge4 O13 109.87(18) . . ?
O20 Ge4 O27 113.29(17) . . ?
O20 Ge4 O56 107.48(18) . . ?
O27 Ge4 O56 104.20(18) . . ?
O43 Na1 O50 78.37(16) . 1_565 ?
O43 Na1 O64 121.3(2) . . ?
O50 Na1 O64 160.3(3) 1_565 . ?
O12 Na2 Nb15 29.81(9) 1_565 1_565 ?
O12 Na2 O19 57.80(14) 1_565 1_565 ?
O19 Na2 Nb15 30.77(9) 1_565 1_565 ?
O23 Na2 Nb15 153.8(2) . 1_565 ?
O23 Na2 O12 162.3(2) . 1_565 ?
O23 Na2 O19 123.1(2) . 1_565 ?
O23 Na2 O31 95.98(18) . 1_565 ?
O23 Na2 O45 107.6(2) . 1_565 ?
O31 Na2 Nb15 68.54(12) 1_565 1_565 ?
O31 Na2 O12 69.38(15) 1_565 1_565 ?
O31 Na2 O19 57.01(14) 1_565 1_565 ?
O45 Na2 Nb15 82.57(14) 1_565 1_565 ?
O45 Na2 O12 56.60(14) 1_565 1_565 ?
O45 Na2 O19 97.97(18) 1_565 1_565 ?
O45 Na2 O31 57.96(14) 1_565 1_565 ?
O69 Na2 Nb15 85.8(3) . 1_565 ?
O69 Na2 O12 90.1(4) . 1_565 ?
O69 Na2 O19 99.1(4) . 1_565 ?
O69 Na2 O23 106.5(4) . . ?
O69 Na2 O31 154.2(4) . 1_565 ?
O69 Na2 O45 123.7(4) . 1_565 ?
O69 Na2 O71 34.5(3) . 2_576 ?
O71 Na2 Nb15 115.3(2) 2_576 1_565 ?
O71 Na2 O12 106.6(2) 2_576 1_565 ?
O71 Na2 O19 133.6(3) 2_576 1_565 ?
O71 Na2 O23 85.1(2) 2_576 . ?
O71 Na2 O31 165.5(3) 2_576 1_565 ?
O71 Na2 O45 107.9(3) 2_576 1_565 ?
O65 Na3 O15 121.4(2) 2_576 . ?
O57 Na4 O58 91.21(18) . . ?
O57 Na4 O59 80.99(18) . . ?
O57 Na4 O60 104.5(3) . . ?
O57 Na4 O61 169.5(2) . . ?
O57 Na4 O60A 89.5(4) . . ?
O58 Na4 O59 95.31(18) . . ?
O58 Na4 O60 81.0(3) . . ?
O58 Na4 O60A 91.9(4) . . ?
O59 Na4 O60 173.4(3) . . ?
O59 Na4 O60A 168.2(4) . . ?
O61 Na4 O58 91.9(2) . . ?
O61 Na4 O59 88.7(2) . . ?
O61 Na4 O60 85.9(3) . . ?
O61 Na4 O60A 100.4(4) . . ?
O62 Na4 O57 81.5(3) . . ?
O62 Na4 O58 162.7(3) . . ?
O62 Na4 O59 99.0(3) . . ?
O62 Na4 O60 85.6(3) . . ?
O62 Na4 O61 98.1(3) . . ?
O62A Na4 O57 96.3(3) . . ?
O62A Na4 O58 171.9(3) . . ?
O62A Na4 O59 82.9(3) . . ?
O62A Na4 O61 80.2(4) . . ?
O62A Na4 O60A 91.3(4) . . ?
Nb13 O2 Nb10 154.3(2) . . ?
Nb3 O3 Nb10 119.67(18) . . ?
Ge2 O4 Ge3 119.2(2) . . ?
Nb9 O6 Nb11 165.5(2) . . ?
Nb2 O7 Nb8 119.90(18) . . ?
Nb9 O8 Nb4 112.54(18) . . ?
Nb1 O9 Nb2 152.2(2) . . ?
Nb14 O10 Nb6 155.0(2) . . ?
Nb11 O11 Nb15 111.69(17) . . ?
Nb11 O11 Nb16 112.56(16) . . ?
Nb15 O11 Nb16 105.11(15) . . ?
Nb12 O12 Na2 101.24(17) . 1_545 ?
Nb15 O12 Nb12 157.0(2) . . ?
Nb15 O12 Na2 97.93(18) . 1_545 ?
Ge4 O13 Nb10 138.7(2) . . ?
Nb15 O15 Na3 133.9(2) . . ?
Nb6 O16 Nb8 118.83(18) . . ?
Nb4 O17 Nb7 143.1(2) . . ?
Nb7 O19 Na2 98.08(16) . 1_545 ?
Nb15 O19 Nb7 121.02(18) . . ?
Nb15 O19 Na2 96.64(17) . 1_545 ?
Ge4 O20 Nb6 134.2(2) . . ?
Ge1 O21 Nb12 138.8(2) . . ?
Nb2 O22 Nb8 91.53(12) . . ?
Nb6 O22 Nb2 92.31(12) . . ?
Nb6 O22 Nb8 91.19(12) . . ?
Ge3 O22 Nb2 122.80(18) . . ?
Ge3 O22 Nb6 125.26(18) . . ?
Ge3 O22 Nb8 124.14(18) . . ?
Nb2 O23 Na2 102.19(18) . . ?
Nb6 O23 Nb2 119.01(18) . . ?
Nb6 O23 Na2 127.2(2) . . ?
Nb4 O24 Nb3 152.2(2) . . ?
Nb16 O25 Nb8 154.2(2) . . ?
Nb9 O26 Nb4 91.80(13) . . ?
Nb9 O26 Nb13 96.86(13) . . ?
Nb13 O26 Nb4 91.54(12) . . ?
Ge2 O26 Nb4 120.08(17) . . ?
Ge2 O26 Nb9 123.70(19) . . ?
Ge2 O26 Nb13 124.27(18) . . ?
Nb13 O27 Nb14 104.23(15) . . ?
Ge4 O27 Nb13 128.18(19) . . ?
Ge4 O27 Nb14 126.72(19) . . ?
Nb9 O28 Nb13 111.90(16) . . ?
Nb9 O28 Nb14 112.07(17) . . ?
Nb14 O28 Nb13 105.58(16) . . ?
Nb14 O29 Nb5 119.24(18) . . ?
Nb3 O31 Na2 100.66(17) . 1_545 ?
Nb7 O31 Nb3 152.4(2) . . ?
Nb7 O31 Na2 104.83(18) . 1_545 ?
Nb1 O32 Nb16 91.24(12) . . ?
Nb11 O32 Nb1 92.33(13) . . ?
Nb11 O32 Nb16 96.45(13) . . ?
Ge3 O32 Nb1 120.33(18) . . ?
Ge3 O32 Nb11 123.95(18) . . ?
Ge3 O32 Nb16 123.97(18) . . ?
Nb5 O33 Nb14 90.85(12) . . ?
Nb9 O33 Nb5 92.30(13) . . ?
Nb9 O33 Nb14 96.03(13) . . ?
Ge3 O33 Nb5 120.30(18) . . ?
Ge3 O33 Nb9 123.39(18) . . ?
Ge3 O33 Nb14 125.17(18) . . ?
Nb13 O35 Nb4 119.66(18) . . ?
Ge1 O36 Nb8 137.1(2) . . ?
Nb15 O37 Nb16 104.68(16) . . ?
Ge1 O37 Nb15 128.4(2) . . ?
Ge1 O37 Nb16 126.03(19) . . ?
Nb5 O39 Nb2 149.7(2) . . ?
Nb11 O41 Nb7 112.24(18) . . ?
Nb16 O42 Nb1 118.81(18) . . ?
Nb6 O43 Na1 108.38(19) . . ?
Nb10 O44 Nb3 91.79(12) . . ?
Nb10 O44 Nb12 91.68(12) . . ?
Nb12 O44 Nb3 92.60(12) . . ?
Ge2 O44 Nb3 120.85(18) . . ?
Ge2 O44 Nb10 125.61(18) . . ?
Ge2 O44 Nb12 124.94(18) . . ?
Nb3 O45 Nb12 120.81(18) . . ?
Nb3 O45 Na2 102.93(18) . 1_545 ?
Nb12 O45 Na2 106.23(18) . 1_545 ?
Nb11 O47 Nb1 113.13(17) . . ?
Nb12 O48 Nb10 120.91(19) . . ?
Nb5 O49 Nb1 142.3(2) . . ?
Nb3 O50 Na1 156.2(2) . 1_545 ?
Nb11 O51 Nb7 91.93(13) . . ?
Nb11 O51 Nb15 95.87(13) . . ?
Nb15 O51 Nb7 90.95(12) . . ?
Ge2 O51 Nb7 120.06(18) . . ?
Ge2 O51 Nb11 125.12(18) . . ?
Ge2 O51 Nb15 123.93(18) . . ?
Nb9 O54 Nb5 112.64(17) . . ?
Na2 O69 O71 111.7(6) . 2_576 ?
H1A N1 H1B 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
C8 N1 H1A 109.5 . . ?
C8 N1 H1B 109.5 . . ?
C8 N1 H1C 109.5 . . ?
H2A N2 H2B 109.5 . . ?
H2A N2 H2C 109.5 . . ?
H2B N2 H2C 109.5 . . ?
C9 N2 H2A 109.5 . . ?
C9 N2 H2B 109.5 . . ?
C9 N2 H2C 109.5 . . ?
H3A N3 H3B 109.5 . . ?
H3A N3 H3C 109.5 . . ?
H3B N3 H3C 109.5 . . ?
C3 N3 H3A 109.5 . . ?
C3 N3 H3B 109.5 . . ?
C3 N3 H3C 109.5 . . ?
H4A N4 H4B 109.5 . . ?
H4A N4 H4C 109.5 . . ?
H4B N4 H4C 109.5 . . ?
C2 N4 H4A 109.5 . . ?
C2 N4 H4B 109.5 . . ?
C2 N4 H4C 109.5 . . ?
H5A N5 H5B 109.5 . . ?
H5A N5 H5C 109.5 . . ?
H5B N5 H5C 109.5 . . ?
C7 N5 H5A 109.5 . . ?
C7 N5 H5B 109.5 . . ?
C7 N5 H5C 109.5 . . ?
H6A N6 H6B 109.5 . . ?
H6A N6 H6C 109.5 . . ?
H6B N6 H6C 109.5 . . ?
C6 N6 H6A 109.5 . . ?
C6 N6 H6B 109.5 . . ?
C6 N6 H6C 109.5 . . ?
H7C N7 H7D 109.5 . . ?
H7C N7 H7E 109.5 . . ?
H7D N7 H7E 109.5 . . ?
C5 N7 H7C 109.5 . . ?
C5 N7 H7D 109.5 . . ?
C5 N7 H7E 109.5 . . ?
H8C N8 H8D 109.5 . . ?
H8C N8 H8E 109.5 . . ?
H8D N8 H8E 109.5 . . ?
C4 N8 H8C 109.5 . . ?
C4 N8 H8D 109.5 . . ?
C4 N8 H8E 109.5 . . ?
H9C N9 H9D 109.5 . . ?
H9C N9 H9E 109.5 . . ?
H9D N9 H9E 109.5 . . ?
C1 N9 H9C 109.5 . . ?
C1 N9 H9D 109.5 . . ?
C1 N9 H9E 109.5 . . ?
H10A N10 H10B 109.5 . . ?
H10A N10 H10C 109.5 . . ?
H10B N10 H10C 109.5 . . ?
C10 N10 H10A 109.5 . . ?
C10 N10 H10B 109.5 . . ?
C10 N10 H10C 109.5 . . ?
N9 C1 H1D 109.2 . . ?
N9 C1 H1E 109.2 . . ?
N9 C1 C10 112.1(5) . . ?
H1D C1 H1E 107.9 . . ?
C10 C1 H1D 109.2 . . ?
C10 C1 H1E 109.2 . . ?
N4 C2 H2D 109.2 . . ?
N4 C2 H2E 109.2 . . ?
N4 C2 C3 112.0(6) . . ?
H2D C2 H2E 107.9 . . ?
C3 C2 H2D 109.2 . . ?
C3 C2 H2E 109.2 . . ?
N3 C3 C2 110.9(6) . . ?
N3 C3 H3D 109.5 . . ?
N3 C3 H3E 109.5 . . ?
C2 C3 H3D 109.5 . . ?
C2 C3 H3E 109.5 . . ?
H3D C3 H3E 108.0 . . ?
N8 C4 H4D 108.5 . . ?
N8 C4 H4E 108.5 . . ?
H4D C4 H4E 107.5 . . ?
C5 C4 N8 115.1(7) . . ?
C5 C4 H4D 108.5 . . ?
C5 C4 H4E 108.5 . . ?
N7 C5 C4 114.0(9) . . ?
N7 C5 H5 123.0 . . ?
C4 C5 H5 123.0 . . ?
N6 C6 H6D 109.0 . . ?
N6 C6 H6E 109.0 . . ?
N6 C6 C7 112.9(5) . . ?
H6D C6 H6E 107.8 . . ?
C7 C6 H6D 109.0 . . ?
C7 C6 H6E 109.0 . . ?
N5 C7 C6 112.5(5) . . ?
N5 C7 H7A 109.1 . . ?
N5 C7 H7B 109.1 . . ?
C6 C7 H7A 109.1 . . ?
C6 C7 H7B 109.1 . . ?
H7A C7 H7B 107.8 . . ?
N1 C8 H8A 109.2 . . ?
N1 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
C9 C8 N1 112.0(8) . . ?
C9 C8 H8A 109.2 . . ?
C9 C8 H8B 109.2 . . ?
N2 C9 H9A 109.1 . . ?
N2 C9 H9B 109.1 . . ?
C8 C9 N2 112.7(8) . . ?
C8 C9 H9A 109.1 . . ?
C8 C9 H9B 109.1 . . ?
H9A C9 H9B 107.8 . . ?
N10 C10 C1 112.5(5) . . ?
N10 C10 H10D 109.1 . . ?
N10 C10 H10E 109.1 . . ?
C1 C10 H10D 109.1 . . ?
C1 C10 H10E 109.1 . . ?
H10D C10 H10E 107.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Nb1 Nb11 O41 Nb7 177.31(4) . . . . ?
Nb4 Nb9 O54 Nb5 178.16(4) . . . . ?
Nb7 Nb11 O47 Nb1 -177.22(4) . . . . ?
Nb9 Nb4 O24 Nb3 56.2(5) . . . . ?
Nb11 Nb1 O9 Nb2 51.9(5) . . . . ?
Nb11 Nb7 O31 Nb3 -55.4(5) . . . . ?
Nb11 Nb7 O31 Na2 101.49(16) . . . 1_545 ?
Nb15 Na2 O69 O71 -149.7(5) 1_565 . . 2_576 ?
Na2 Nb15 O12 Nb12 146.2(6) 1_545 . . . ?
Na2 Nb15 O15 Na3 127.9(3) 1_545 . . . ?
O3 Nb3 O50 Na1 29.7(6) . . . 1_545 ?
O4 Ge2 O26 Nb4 -175.36(18) . . . . ?
O4 Ge2 O26 Nb9 -59.9(2) . . . . ?
O4 Ge2 O26 Nb13 69.0(2) . . . . ?
O4 Ge2 O44 Nb3 -179.65(18) . . . . ?
O4 Ge2 O44 Nb10 -61.4(3) . . . . ?
O4 Ge2 O44 Nb12 61.5(2) . . . . ?
O4 Ge2 O51 Nb7 176.78(18) . . . . ?
O4 Ge2 O51 Nb11 59.7(2) . . . . ?
O4 Ge2 O51 Nb15 -68.9(2) . . . . ?
O4 Ge3 O22 Nb2 -178.63(18) . . . . ?
O4 Ge3 O22 Nb6 60.4(3) . . . . ?
O4 Ge3 O22 Nb8 -60.3(3) . . . . ?
O4 Ge3 O32 Nb1 -175.59(18) . . . . ?
O4 Ge3 O32 Nb11 -58.8(2) . . . . ?
O4 Ge3 O32 Nb16 69.3(2) . . . . ?
O4 Ge3 O33 Nb5 175.92(18) . . . . ?
O4 Ge3 O33 Nb9 59.8(2) . . . . ?
O4 Ge3 O33 Nb14 -68.4(2) . . . . ?
O5 Nb1 O9 Nb2 -128.4(4) . . . . ?
O6 Nb9 O8 Nb4 -76.3(2) . . . . ?
O6 Nb9 O54 Nb5 77.34(19) . . . . ?
O6 Nb11 O41 Nb7 77.3(2) . . . . ?
O6 Nb11 O47 Nb1 -76.76(19) . . . . ?
O8 Nb4 O24 Nb3 62.8(7) . . . . ?
O8 Nb9 O54 Nb5 -179.93(17) . . . . ?
O10 Nb6 O43 Na1 -2.1(2) . . . . ?
O11 Nb11 O41 Nb7 -81.83(19) . . . . ?
O11 Nb11 O47 Nb1 80.22(19) . . . . ?
O11 Nb15 O12 Nb12 5.4(8) . . . . ?
O11 Nb15 O12 Na2 -140.8(3) . . . 1_545 ?
O11 Nb15 O15 Na3 -85.6(3) . . . . ?
O11 Nb16 O25 Nb8 1.2(7) . . . . ?
O12 Nb15 O15 Na3 77.3(3) . . . . ?
O12 Na2 O69 O71 -120.1(5) 1_565 . . 2_576 ?
O13 Ge4 O20 Nb6 -166.5(3) . . . . ?
O13 Ge4 O27 Nb13 -31.6(3) . . . . ?
O13 Ge4 O27 Nb14 160.8(2) . . . . ?
O14 Nb13 O2 Nb10 140.5(5) . . . . ?
O15 Nb15 O12 Nb12 -136.2(5) . . . . ?
O15 Nb15 O12 Na2 77.64(19) . . . 1_545 ?
O16 Nb6 O43 Na1 171.23(18) . . . . ?
O17 Nb4 O24 Nb3 -27.1(5) . . . . ?
O17 Nb7 O31 Nb3 26.4(5) . . . . ?
O17 Nb7 O31 Na2 -176.63(18) . . . 1_545 ?
O18 Nb5 O39 Nb2 124.4(4) . . . . ?
O19 Nb7 O31 Nb3 -130.8(5) . . . . ?
O19 Nb7 O31 Na2 26.18(18) . . . 1_545 ?
O19 Nb15 O12 Nb12 120.1(5) . . . . ?
O19 Nb15 O12 Na2 -26.14(18) . . . 1_545 ?
O19 Nb15 O15 Na3 179.3(3) . . . . ?
O19 Na2 O69 O71 -177.5(5) 1_565 . . 2_576 ?
O20 Nb6 O43 Na1 84.29(19) . . . . ?
O20 Ge4 O13 Nb10 159.0(3) . . . . ?
O20 Ge4 O27 Nb13 -156.3(2) . . . . ?
O20 Ge4 O27 Nb14 36.1(3) . . . . ?
O21 Ge1 O36 Nb8 169.1(3) . . . . ?
O21 Ge1 O37 Nb15 30.7(3) . . . . ?
O21 Ge1 O37 Nb16 -162.0(2) . . . . ?
O22 Ge3 O4 Ge2 -179.3(2) . . . . ?
O22 Ge3 O32 Nb1 61.9(2) . . . . ?
O22 Ge3 O32 Nb11 178.69(19) . . . . ?
O22 Ge3 O32 Nb16 -53.2(2) . . . . ?
O22 Ge3 O33 Nb5 -62.5(2) . . . . ?
O22 Ge3 O33 Nb9 -178.64(19) . . . . ?
O22 Ge3 O33 Nb14 53.2(2) . . . . ?
O23 Nb6 O43 Na1 -94.76(19) . . . . ?
O23 Na2 O69 O71 53.8(6) . . . 2_576 ?
O24 Nb3 O50 Na1 121.6(5) . . . 1_545 ?
O26 Nb4 O24 Nb3 58.9(5) . . . . ?
O26 Nb9 O8 Nb4 6.57(17) . . . . ?
O26 Nb9 O54 Nb5 -23.7(8) . . . . ?
O26 Nb13 O2 Nb10 -42.0(5) . . . . ?
O26 Ge2 O4 Ge3 59.5(3) . . . . ?
O26 Ge2 O44 Nb3 -61.4(2) . . . . ?
O26 Ge2 O44 Nb10 56.8(3) . . . . ?
O26 Ge2 O44 Nb12 179.79(19) . . . . ?
O26 Ge2 O51 Nb7 60.6(2) . . . . ?
O26 Ge2 O51 Nb11 -56.4(3) . . . . ?
O26 Ge2 O51 Nb15 174.97(18) . . . . ?
O27 Nb13 O2 Nb10 41.6(5) . . . . ?
O27 Nb14 O10 Nb6 -45.8(5) . . . . ?
O27 Ge4 O13 Nb10 32.5(4) . . . . ?
O27 Ge4 O20 Nb6 -40.9(3) . . . . ?
O28 Nb9 O8 Nb4 82.80(19) . . . . ?
O28 Nb9 O54 Nb5 -81.12(19) . . . . ?
O28 Nb13 O2 Nb10 0.1(7) . . . . ?
O28 Nb14 O10 Nb6 -5.1(7) . . . . ?
O29 Nb5 O39 Nb2 -133.2(4) . . . . ?
O29 Nb14 O10 Nb6 112.3(5) . . . . ?
O30 Nb16 O25 Nb8 141.3(5) . . . . ?
O31 Nb3 O50 Na1 -154.7(5) . . . 1_545 ?
O31 Na2 O69 O71 -156.5(7) 1_565 . . 2_576 ?
O32 Nb1 O9 Nb2 54.8(4) . . . . ?
O32 Nb11 O41 Nb7 -22.7(9) . . . . ?
O32 Nb11 O47 Nb1 4.56(17) . . . . ?
O32 Nb16 O25 Nb8 -40.9(5) . . . . ?
O32 Ge3 O4 Ge2 59.3(3) . . . . ?
O32 Ge3 O22 Nb2 -59.2(2) . . . . ?
O32 Ge3 O22 Nb6 179.83(19) . . . . ?
O32 Ge3 O22 Nb8 59.2(2) . . . . ?
O32 Ge3 O33 Nb5 59.6(2) . . . . ?
O32 Ge3 O33 Nb9 -56.6(3) . . . . ?
O32 Ge3 O33 Nb14 175.20(19) . . . . ?
O33 Nb5 O39 Nb2 -59.4(4) . . . . ?
O33 Nb9 O8 Nb4 29.2(9) . . . . ?
O33 Nb9 O54 Nb5 -5.11(17) . . . . ?
O33 Nb14 O10 Nb6 37.7(5) . . . . ?
O33 Ge3 O4 Ge2 -59.6(3) . . . . ?
O33 Ge3 O22 Nb2 63.1(2) . . . . ?
O33 Ge3 O22 Nb6 -57.9(2) . . . . ?
O33 Ge3 O22 Nb8 -178.58(19) . . . . ?
O33 Ge3 O32 Nb1 -59.3(2) . . . . ?
O33 Ge3 O32 Nb11 57.5(2) . . . . ?
O33 Ge3 O32 Nb16 -174.45(18) . . . . ?
O35 Nb4 O24 Nb3 132.0(5) . . . . ?
O35 Nb13 O2 Nb10 -116.7(5) . . . . ?
O36 Ge1 O21 Nb12 -154.6(3) . . . . ?
O36 Ge1 O37 Nb15 156.4(2) . . . . ?
O36 Ge1 O37 Nb16 -36.3(3) . . . . ?
O37 Nb15 O12 Nb12 -38.1(5) . . . . ?
O37 Nb15 O12 Na2 175.66(17) . . . 1_545 ?
O37 Nb15 O15 Na3 -12.2(3) . . . . ?
O37 Nb16 O25 Nb8 42.7(5) . . . . ?
O37 Ge1 O21 Nb12 -28.1(4) . . . . ?
O37 Ge1 O36 Nb8 42.5(4) . . . . ?
O40 Nb14 O10 Nb6 -144.7(5) . . . . ?
O41 Nb7 O31 Nb3 -58.8(7) . . . . ?
O41 Nb7 O31 Na2 98.1(4) . . . 1_545 ?
O41 Nb11 O47 Nb1 -179.27(17) . . . . ?
O42 Nb1 O9 Nb2 129.1(4) . . . . ?
O42 Nb16 O25 Nb8 -115.4(5) . . . . ?
O44 Ge2 O4 Ge3 179.8(2) . . . . ?
O44 Ge2 O26 Nb4 64.2(2) . . . . ?
O44 Ge2 O26 Nb9 179.67(19) . . . . ?
O44 Ge2 O26 Nb13 -51.4(2) . . . . ?
O44 Ge2 O51 Nb7 -62.4(2) . . . . ?
O44 Ge2 O51 Nb11 -179.4(2) . . . . ?
O44 Ge2 O51 Nb15 52.0(2) . . . . ?
O45 Nb3 O50 Na1 -64.7(5) . . . 1_545 ?
O45 Na2 O69 O71 -71.5(7) 1_565 . . 2_576 ?
O47 Nb1 O9 Nb2 54.7(7) . . . . ?
O47 Nb11 O41 Nb7 178.06(17) . . . . ?
O49 Nb1 O9 Nb2 -29.7(5) . . . . ?
O49 Nb5 O39 Nb2 24.7(4) . . . . ?
O51 Nb7 O31 Nb3 -58.3(4) . . . . ?
O51 Nb7 O31 Na2 98.60(17) . . . 1_545 ?
O51 Nb11 O41 Nb7 -5.00(17) . . . . ?
O51 Nb11 O47 Nb1 15.1(8) . . . . ?
O51 Nb15 O12 Nb12 45.8(5) . . . . ?
O51 Nb15 O12 Na2 -100.36(16) . . . 1_545 ?
O51 Nb15 O15 Na3 -113.0(8) . . . . ?
O51 Ge2 O4 Ge3 -59.0(3) . . . . ?
O51 Ge2 O26 Nb4 -59.2(2) . . . . ?
O51 Ge2 O26 Nb9 56.2(2) . . . . ?
O51 Ge2 O26 Nb13 -174.85(18) . . . . ?
O51 Ge2 O44 Nb3 61.7(2) . . . . ?
O51 Ge2 O44 Nb10 179.90(19) . . . . ?
O51 Ge2 O44 Nb12 -57.1(3) . . . . ?
O52 Nb7 O31 Nb3 128.1(5) . . . . ?
O52 Nb7 O31 Na2 -75.0(2) . . . 1_545 ?
O53 Nb4 O24 Nb3 -128.7(5) . . . . ?
O54 Nb5 O39 Nb2 -61.6(7) . . . . ?
O54 Nb9 O8 Nb4 -178.15(17) . . . . ?
O55 Ge1 O21 Nb12 85.3(3) . . . . ?
O55 Ge1 O36 Nb8 -71.3(3) . . . . ?
O55 Ge1 O37 Nb15 -86.1(3) . . . . ?
O55 Ge1 O37 Nb16 81.3(3) . . . . ?
O56 Ge4 O13 Nb10 -82.8(4) . . . . ?
O56 Ge4 O20 Nb6 73.7(3) . . . . ?
O56 Ge4 O27 Nb13 87.2(3) . . . . ?
O56 Ge4 O27 Nb14 -80.4(3) . . . . ?
N1 C8 C9 N2 -76.2(10) . . . . ?
N4 C2 C3 N3 168.8(6) . . . . ?
N6 C6 C7 N5 69.4(6) . . . . ?
N8 C4 C5 N7 65.4(11) . . . . ?
N9 C1 C10 N10 77.3(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.240 0.594 0.831 153.7 48.1 '5 H2O'
2 0.500 0.500 0.500 13.6 11.6 ?
3 0.760 0.406 0.169 153.7 47.6 '5 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT971_a                   
;
PROBLEM: Check Calcd Resid. Dens.  2.65Ang From Na1             4.07 eA-3  
RESPONSE:Because the residual electron density peaks indicated above are
 close to the Na atom and are assumed to be the result of inadequacies
 in the absorption correction.  Another possibility is that there is
 anharmonic motion or disorder involving these Na atoms.
;
# end Validation Reply Form
