# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1403847'
_audit_update_record             
;
2016-01-27 deposited with the CCDC.
2016-02-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58 H180 Cd8 Ge16 N46 O128 V24'
_chemical_formula_weight         6853.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.434(5)
_cell_length_b                   12.685(5)
_cell_length_c                   30.441(5)
_cell_angle_alpha                87.927(5)
_cell_angle_beta                 87.149(5)
_cell_angle_gamma                75.801(5)
_cell_volume                     4647(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    26717
_cell_measurement_theta_min      1.656
_cell_measurement_theta_max      25.000

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.449
_exptl_crystal_F_000             3322
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.240
_exptl_absorpt_coefficient_mu    4.694
_shelx_estimated_absorpt_T_min   0.307
_shelx_estimated_absorpt_T_max   0.324
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.308
_exptl_absorpt_correction_T_max  0.326
_exptl_absorpt_process_details   'SADABS 2014/4 Bruker AXS Madison WI USA'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart Apex II CCD'
_diffrn_measurement_method       ω-2θ
_diffrn_detector_area_resol_mean 0.01
_diffrn_reflns_number            26717
_diffrn_reflns_av_unetI/netI     0.1001
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.656
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.971
_reflns_number_total             16334
_reflns_number_gt                10735
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;

_computing_data_collection       'Bruker APEX 2'
_computing_cell_refinement       'Bruker SAINT v8.34a'
_computing_data_reduction        'Bruker SAINT v8.34a'
_computing_structure_solution    'Bruker SHELXTL 2014/4'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL & local programs'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0760P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16334
_refine_ls_number_parameters     1261
_refine_ls_number_restraints     96
_refine_ls_R_factor_all          0.0974
_refine_ls_R_factor_gt           0.0549
_refine_ls_wR_factor_ref         0.1526
_refine_ls_wR_factor_gt          0.1309
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
V1 V 0.87492(14) 0.14118(13) 0.88881(5) 0.0142(4) Uani 1 1 d . . . . .
V2 V 0.74103(14) 0.29907(13) 0.71552(5) 0.0159(4) Uani 1 1 d . . . . .
V3 V 0.57766(15) 0.19799(14) 0.68584(5) 0.0173(4) Uani 1 1 d . . . . .
V4 V 0.77794(14) 0.00814(13) 0.68447(5) 0.0159(4) Uani 1 1 d . . . . .
V5 V 0.92236(14) -0.13722(13) 0.75069(5) 0.0159(4) Uani 1 1 d . . . . .
V6 V 0.91124(14) -0.14780(12) 0.84987(5) 0.0143(4) Uani 1 1 d . . . . .
V7 V 0.71962(14) -0.20311(13) 0.76519(5) 0.0156(4) Uani 1 1 d . . . . .
V8 V 0.57101(14) 0.18174(13) 0.92340(5) 0.0130(4) Uani 1 1 d . . . . .
V9 V 0.43661(14) 0.33402(13) 0.85581(5) 0.0154(4) Uani 1 1 d . . . . .
V10 V 0.44067(14) 0.33511(13) 0.75659(5) 0.0166(4) Uani 1 1 d . . . . .
V11 V 0.36798(14) 0.13826(13) 0.84346(5) 0.0141(4) Uani 1 1 d . . . . .
V12 V 0.76572(14) -0.01516(12) 0.92132(5) 0.0138(4) Uani 1 1 d . . . . .
Ge1 Ge 0.97291(9) 0.11218(8) 0.71895(3) 0.0158(2) Uani 1 1 d . . . . .
Ge2 Ge 1.04574(9) 0.02782(8) 0.80984(3) 0.0152(2) Uani 1 1 d . . . . .
Ge3 Ge 0.68747(9) 0.37736(8) 0.88599(3) 0.0159(2) Uani 1 1 d . . . . .
Ge4 Ge 0.61606(9) 0.46035(8) 0.79456(3) 0.0161(2) Uani 1 1 d . . . . .
Ge5 Ge 0.35987(9) 0.11415(8) 0.73723(3) 0.0164(2) Uani 1 1 d . . . . .
Ge6 Ge 0.49697(9) -0.04942(8) 0.91472(3) 0.0149(2) Uani 1 1 d . . . . .
Ge7 Ge 0.68106(9) -0.22373(8) 0.87269(3) 0.0157(2) Uani 1 1 d . . . . .
Ge8 Ge 0.53870(9) -0.06362(9) 0.69566(3) 0.0175(2) Uani 1 1 d . . . . .
Cd1 Cd 0.44588(6) -0.12555(6) 0.80584(2) 0.01906(18) Uani 1 1 d . . . . .
Cd2 Cd 0.90399(6) 0.31851(6) 0.80255(2) 0.01687(18) Uani 1 1 d . . . . .
Cd3 Cd 0.84382(8) 0.34510(7) 0.59832(3) 0.0371(2) Uani 1 1 d . . . . .
Cd4 Cd 1.01338(8) 0.21678(8) 0.99448(3) 0.0364(2) Uani 1 1 d . . . . .
C1 C 1.2102(16) 0.3156(16) 1.0102(6) 0.084(5) Uani 1 1 d . U . . .
H1A H 1.2216 0.3886 1.0088 0.101 Uiso 1 1 calc R U . . .
H1B H 1.2661 0.2725 1.0291 0.101 Uiso 1 1 calc R U . . .
C2 C 1.2340(14) 0.2751(14) 0.9690(6) 0.073(5) Uani 1 1 d . U . . .
H2A H 1.3129 0.2409 0.9668 0.088 Uiso 1 1 calc R U . . .
H2B H 1.2203 0.3361 0.9482 0.088 Uiso 1 1 calc R U . . .
C3 C 1.1017(12) 0.4320(11) 0.8066(6) 0.062(4) Uani 1 1 d . . . . .
H3A H 1.1007 0.4412 0.8381 0.074 Uiso 1 1 calc R U . . .
H3B H 1.1732 0.4388 0.7942 0.074 Uiso 1 1 calc R U . . .
C4 C 1.0147(11) 0.5151(10) 0.7877(6) 0.059(4) Uani 1 1 d . . . . .
H4A H 1.0197 0.5092 0.7559 0.071 Uiso 1 1 calc R U . . .
H4B H 1.0247 0.5861 0.7946 0.071 Uiso 1 1 calc R U . . .
C5 C 0.8310(10) 0.1519(10) 1.0561(4) 0.039(3) Uani 1 1 d . . . . .
H5A H 0.8490 0.1839 1.0824 0.047 Uiso 1 1 calc R U . . .
H5B H 0.7857 0.1019 1.0648 0.047 Uiso 1 1 calc R U . . .
C6 C 0.7688(11) 0.2391(12) 1.0262(5) 0.051(4) Uani 1 1 d . . . . .
H6A H 0.7466 0.2062 1.0010 0.061 Uiso 1 1 calc R U . . .
H6B H 0.7020 0.2794 1.0416 0.061 Uiso 1 1 calc R U . . .
C7 C 0.8311(14) 0.1467(12) 0.5476(5) 0.067(5) Uani 1 1 d . . . . .
H7A H 0.8532 0.1734 0.5191 0.080 Uiso 1 1 calc R U . . .
H7B H 0.8411 0.0687 0.5457 0.080 Uiso 1 1 calc R U . . .
C8 C 0.9791(16) 0.4889(13) 0.5221(4) 0.067(5) Uani 1 1 d . . . . .
H8A H 1.0409 0.4777 0.5414 0.080 Uiso 1 1 calc R U . . .
H8B H 0.9258 0.5545 0.5315 0.080 Uiso 1 1 calc R U . . .
C9 C 0.6103(10) 0.7025(9) 0.5612(3) 0.029(3) Uani 1 1 d . . . . .
H9A H 0.5808 0.6436 0.5739 0.034 Uiso 1 1 calc R U . . .
H9B H 0.5570 0.7701 0.5682 0.034 Uiso 1 1 calc R U . . .
C10 C 0.7697(10) 0.6123(9) 0.6044(3) 0.024(3) Uani 1 1 d . . . . .
C11 C 0.7545(10) 0.7952(8) 0.5873(3) 0.023(3) Uani 1 1 d . . . . .
H11 H 0.6978 0.8548 0.6004 0.027 Uiso 1 1 calc R U . . .
C12 C 0.7196(14) 0.1935(13) 0.5559(6) 0.071(5) Uani 1 1 d . . . . .
H12A H 0.6929 0.1527 0.5798 0.085 Uiso 1 1 calc R U . . .
H12B H 0.6798 0.1862 0.5300 0.085 Uiso 1 1 calc R U . . .
C13 C 0.9182(12) 0.8176(9) 0.5525(4) 0.035(3) Uani 1 1 d . . . . .
C14 C 1.3767(9) 0.4064(10) 0.5038(4) 0.031(3) Uani 1 1 d . . . . .
C15 C 0.8512(9) 0.7542(8) 0.6182(3) 0.022(2) Uani 1 1 d . . . . .
H15 H 0.8397 0.7938 0.6458 0.026 Uiso 1 1 calc R U . . .
C16 C 1.3799(9) 0.2198(9) 0.5166(3) 0.026(3) Uani 1 1 d . . . . .
H16 H 1.4459 0.1596 0.5128 0.031 Uiso 1 1 calc R U . . .
C17 C 0.9149(9) 0.5728(8) 0.6597(3) 0.023(2) Uani 1 1 d . . . . .
H17A H 0.8788 0.5152 0.6684 0.028 Uiso 1 1 calc R U . . .
H17B H 0.9122 0.6177 0.6850 0.028 Uiso 1 1 calc R U . . .
C18 C 1.0533(11) 0.7647(8) 0.6116(4) 0.036(3) Uani 1 1 d . . . . .
H18A H 1.0917 0.8107 0.5942 0.043 Uiso 1 1 calc R U . . .
H18B H 1.0406 0.7930 0.6411 0.043 Uiso 1 1 calc R U . . .
C19 C 0.2894(13) -0.2825(12) 0.7912(6) 0.066(5) Uani 1 1 d . . . . .
H19A H 0.2908 -0.3491 0.7762 0.079 Uiso 1 1 calc R U . . .
H19B H 0.2133 -0.2392 0.7923 0.079 Uiso 1 1 calc R U . . .
C20 C 0.3240(14) -0.3093(12) 0.8350(6) 0.065(5) Uani 1 1 d . . . . .
H20A H 0.2606 -0.3197 0.8530 0.078 Uiso 1 1 calc R U . . .
H20B H 0.3791 -0.3783 0.8347 0.078 Uiso 1 1 calc R U . . .
C21 C 1.1197(10) 0.5791(9) 0.6486(3) 0.027(3) Uani 1 1 d . . . . .
H21 H 1.1214 0.6107 0.6773 0.032 Uiso 1 1 calc R U . . .
C22 C 1.2153(10) 0.6233(10) 0.5857(4) 0.033(3) Uani 1 1 d . . . . .
C23 C 1.0668(9) 0.4164(9) 0.6390(3) 0.021(2) Uani 1 1 d . . . . .
C24 C 1.2248(10) 0.2035(9) 0.5583(4) 0.029(3) Uani 1 1 d . . . . .
C25 C 1.2527(10) 0.1131(9) 0.4882(4) 0.032(3) Uani 1 1 d . . . . .
H25A H 1.3205 0.0641 0.4770 0.038 Uiso 1 1 calc R U . . .
H25B H 1.2081 0.0690 0.5033 0.038 Uiso 1 1 calc R U . . .
C26 C 1.2249(9) 0.4862(9) 0.6395(3) 0.026(3) Uani 1 1 d . . . . .
H26 H 1.2758 0.4761 0.6637 0.031 Uiso 1 1 calc R U . . .
C27 C 1.2472(10) 0.2839(9) 0.6290(3) 0.028(3) Uani 1 1 d . . . . .
H27A H 1.2063 0.2323 0.6406 0.034 Uiso 1 1 calc R U . . .
H27B H 1.3132 0.2743 0.6458 0.034 Uiso 1 1 calc R U . . .
C28 C 1.3767(9) 0.4731(9) 0.5791(4) 0.028(3) Uani 1 1 d . . . . .
H28A H 1.4282 0.4433 0.6019 0.034 Uiso 1 1 calc R U . . .
H28B H 1.4046 0.5293 0.5632 0.034 Uiso 1 1 calc R U . . .
C29 C 1.3781(9) 0.2757(8) 0.5608(3) 0.022(2) Uani 1 1 d . . . . .
H29 H 1.4443 0.2421 0.5772 0.026 Uiso 1 1 calc R U . . .
N1 N 0.3683(13) -0.2341(12) 0.8552(5) 0.087(5) Uani 1 1 d . U . . .
H1C H 0.4204 -0.2695 0.8731 0.104 Uiso 1 1 calc R U . . .
H1D H 0.3150 -0.1914 0.8716 0.104 Uiso 1 1 calc R U . . .
N2 N 0.3566(13) -0.2241(12) 0.7664(4) 0.081(4) Uani 1 1 d . U . . .
H2C H 0.3139 -0.1791 0.7476 0.098 Uiso 1 1 calc R U . . .
H2D H 0.4072 -0.2713 0.7506 0.098 Uiso 1 1 calc R U . . .
N3 N 0.9038(9) 0.5062(7) 0.8042(4) 0.043(3) Uani 1 1 d . . . . .
H3C H 0.8516 0.5456 0.7872 0.052 Uiso 1 1 calc R U . . .
H3D H 0.8904 0.5302 0.8315 0.052 Uiso 1 1 calc R U . . .
N4 N 1.0866(8) 0.3238(7) 0.7977(4) 0.040(3) Uani 1 1 d . . . . .
H4C H 1.1241 0.2757 0.8168 0.048 Uiso 1 1 calc R U . . .
H4D H 1.1144 0.3048 0.7708 0.048 Uiso 1 1 calc R U . . .
N5 N 0.7113(8) 0.7010(6) 0.5820(3) 0.024(2) Uani 1 1 d . . . . .
N6 N 0.8531(8) 0.6383(6) 0.6255(3) 0.023(2) Uani 1 1 d . . . . .
N7 N 0.6911(9) 0.3113(8) 0.5676(3) 0.044(3) Uani 1 1 d . . . . .
H7C H 0.6331 0.3253 0.5867 0.053 Uiso 1 1 calc R U . . .
H7D H 0.6739 0.3532 0.5437 0.053 Uiso 1 1 calc R U . . .
N8 N 0.9031(10) 0.1670(8) 0.5796(4) 0.056(3) Uani 1 1 d . . . . .
H8C H 0.9726 0.1535 0.5685 0.067 Uiso 1 1 calc R U . . .
H8D H 0.9012 0.1240 0.6032 0.067 Uiso 1 1 calc R U . . .
N9 N 1.1755(8) 0.1979(8) 0.9553(3) 0.034(2) Uani 1 1 d . . . . .
H9C H 1.2172 0.1307 0.9591 0.041 Uiso 1 1 calc R U . . .
H9D H 1.1623 0.2086 0.9268 0.041 Uiso 1 1 calc R U . . .
N10 N 1.1047(8) 0.3221(8) 1.0325(3) 0.036(3) Uani 1 1 d . . . . .
H10A H 1.0652 0.3909 1.0330 0.043 Uiso 1 1 calc R U . . .
H10B H 1.1140 0.2973 1.0602 0.043 Uiso 1 1 calc R U . . .
N11 N 0.8371(9) 0.3148(8) 1.0109(3) 0.037(3) Uani 1 1 d . . . . .
H11A H 0.8379 0.3618 1.0318 0.045 Uiso 1 1 calc R U . . .
H11B H 0.8084 0.3522 0.9871 0.045 Uiso 1 1 calc R U . . .
N12 N 0.9349(8) 0.0927(8) 1.0325(3) 0.039(3) Uani 1 1 d . . . . .
H12C H 0.9196 0.0463 1.0140 0.047 Uiso 1 1 calc R U . . .
H12D H 0.9822 0.0550 1.0517 0.047 Uiso 1 1 calc R U . . .
N13 N 0.9279(11) 0.4006(10) 0.5302(4) 0.061(4) Uani 1 1 d . . . . .
H13A H 0.9792 0.3418 0.5218 0.074 Uiso 1 1 calc R U . . .
H13B H 0.8751 0.4105 0.5107 0.074 Uiso 1 1 calc R U . . .
N14 N 1.2815(8) 0.1824(8) 0.5195(3) 0.032(2) Uani 1 1 d . . . . .
N15 N 1.2812(8) 0.2588(8) 0.5831(3) 0.029(2) Uani 1 1 d . . . . .
N16 N 1.3815(9) 0.3073(7) 0.4852(3) 0.034(2) Uani 1 1 d . . . . .
N17 N 1.3766(8) 0.3858(7) 0.5484(3) 0.030(2) Uani 1 1 d . . . . .
N18 N 1.2735(8) 0.5219(7) 0.5994(3) 0.032(2) Uani 1 1 d . . . . .
N19 N 1.1235(8) 0.6567(7) 0.6138(3) 0.034(2) Uani 1 1 d . . . . .
N20 N 1.1793(8) 0.3926(7) 0.6352(3) 0.026(2) Uani 1 1 d . . . . .
N21 N 1.0296(8) 0.5245(7) 0.6475(3) 0.021(2) Uani 1 1 d . . . . .
N22 N 0.9451(8) 0.7716(7) 0.5926(3) 0.029(2) Uani 1 1 d . . . . .
N23 N 0.8071(9) 0.8319(7) 0.5487(3) 0.032(2) Uani 1 1 d . . . . .
O1 O 0.7454(6) -0.3259(5) 0.7488(2) 0.0268(18) Uani 1 1 d . . . . .
H1 H 0.6869 -0.3492 0.7525 0.040 Uiso 1 1 d R U . . .
O2 O 0.7480(6) -0.3568(5) 0.8818(2) 0.0267(18) Uani 1 1 d . . . . .
H2 H 0.7030 -0.3963 0.8784 0.040 Uiso 1 1 d R U . . .
O3 O 0.5984(5) 0.0200(5) 0.9238(2) 0.0174(15) Uani 1 1 d . . . . .
O4 O 0.5330(6) 0.2117(6) 0.9734(2) 0.0254(17) Uani 1 1 d . . . . .
O5 O 0.3822(6) 0.0565(5) 0.7888(2) 0.0203(16) Uani 1 1 d . . . . .
O6 O 1.0042(6) -0.2460(5) 0.8698(2) 0.0263(18) Uani 1 1 d . . . . .
O7 O 0.9851(5) -0.0818(5) 0.8016(2) 0.0172(15) Uani 1 1 d . . . . .
O8 O 0.8455(6) -0.1901(5) 0.7992(2) 0.0188(16) Uani 1 1 d . . . . .
O9 O 0.8909(5) -0.0139(5) 0.8823(2) 0.0159(15) Uani 1 1 d . U . . .
O10 O 0.7302(5) 0.1400(5) 0.9145(2) 0.0149(15) Uani 1 1 d . . . . .
O11 O 0.5714(5) 0.3208(5) 0.8906(2) 0.0159(15) Uani 1 1 d . . . . .
O12 O 0.3368(6) 0.4242(6) 0.8773(2) 0.0256(17) Uani 1 1 d . . . . .
O13 O 0.5057(6) 0.3991(5) 0.8045(2) 0.0177(15) Uani 1 1 d . . . . .
O14 O 0.3478(6) 0.4295(6) 0.7364(2) 0.0309(19) Uani 1 1 d . . . . .
O15 O 0.7356(5) 0.1625(5) 0.6914(2) 0.0176(15) Uani 1 1 d . U . . .
O16 O 0.8224(7) -0.0187(6) 0.6349(2) 0.0290(18) Uani 1 1 d . . . . .
O17 O 0.6127(6) 0.0345(5) 0.6841(2) 0.0210(16) Uani 1 1 d . . . . .
O18 O 1.0177(6) -0.2324(6) 0.7285(2) 0.0275(18) Uani 1 1 d . . . . .
O19 O 0.9130(6) 0.0029(5) 0.7173(2) 0.0191(16) Uani 1 1 d . . . . .
O20 O 0.7849(6) -0.1213(5) 0.7211(2) 0.0181(15) Uani 1 1 d . . . . .
O21 O 1.1646(6) -0.0232(5) 0.8378(2) 0.0266(18) Uani 1 1 d . . . . .
H21A H 1.1999 0.0261 0.8391 0.040 Uiso 1 1 d R U . . .
O22 O 0.9548(6) 0.1502(6) 0.9283(2) 0.0238(17) Uani 1 1 d . . . . .
O23 O 0.7115(6) 0.4331(5) 0.9348(2) 0.0261(18) Uani 1 1 d . . . . .
O24 O 0.8097(6) 0.2906(5) 0.8674(2) 0.0209(16) Uani 1 1 d . . . . .
O25 O 0.9563(6) 0.1412(5) 0.8326(2) 0.0185(16) Uani 1 1 d . . . . .
O26 O 1.0820(5) 0.0687(5) 0.7556(2) 0.0193(16) Uani 1 1 d . . . . .
O27 O 1.0341(6) 0.1302(6) 0.6667(2) 0.0258(17) Uani 1 1 d . . . . .
O28 O 0.8878(6) 0.2304(5) 0.7384(2) 0.0222(17) Uani 1 1 d . . . . .
O29 O 0.7664(6) 0.3712(6) 0.6732(2) 0.0320(19) Uani 1 1 d . . . . .
O30 O 0.5654(6) 0.5834(5) 0.7665(2) 0.0250(18) Uani 1 1 d . . . . .
O31 O 0.7342(6) 0.3774(5) 0.7701(2) 0.0223(17) Uani 1 1 d . . . . .
O32 O 0.3990(6) -0.0361(6) 0.9578(2) 0.0307(19) Uani 1 1 d . . . . .
O33 O 0.2386(6) 0.1620(5) 0.8584(2) 0.0231(17) Uani 1 1 d . . . . .
O34 O 0.3979(6) 0.0070(5) 0.6997(2) 0.0203(16) Uani 1 1 d . . . . .
O35 O 0.5510(7) -0.1442(6) 0.6499(2) 0.035(2) Uani 1 1 d . . . . .
O36 O 0.4415(6) 0.2042(5) 0.7228(2) 0.0182(15) Uani 1 1 d . . . . .
O37 O 0.3883(6) 0.2638(5) 0.8084(2) 0.0181(16) Uani 1 1 d . . . . .
O38 O 0.4479(5) 0.1955(5) 0.8859(2) 0.0177(15) Uani 1 1 d . . . . .
O39 O 0.7742(5) -0.1483(5) 0.8858(2) 0.0162(15) Uani 1 1 d . . . . .
O40 O 0.6300(6) -0.1949(6) 0.8208(2) 0.0232(17) Uani 1 1 d . . . . .
O41 O 0.5720(6) -0.1307(5) 0.7447(2) 0.0243(17) Uani 1 1 d . . . . .
O42 O 0.5680(6) -0.1888(5) 0.9108(2) 0.0185(16) Uani 1 1 d . . . . .
O43 O 0.4351(6) -0.0089(5) 0.8655(2) 0.0207(16) Uani 1 1 d . . . . .
O44 O 0.6525(6) 0.4877(5) 0.8477(2) 0.0213(16) Uani 1 1 d . . . . .
O45 O 0.2262(6) 0.1838(6) 0.7280(2) 0.0275(18) Uani 1 1 d . . . . .
H45 H 0.1839 0.1406 0.7320 0.041 Uiso 1 1 d R U . . .
O46 O 0.5399(7) 0.2460(6) 0.6381(2) 0.0330(19) Uani 1 1 d . . . . .
O47 O 0.5803(6) 0.3187(5) 0.7219(2) 0.0198(16) Uani 1 1 d . . . . .
O48 O 0.8115(6) -0.0499(6) 0.9691(2) 0.0261(18) Uani 1 1 d . . . . .
O49 O 0.7480(7) 0.5242(5) 0.6054(2) 0.033(2) Uani 1 1 d . . . . .
O50 O 1.0082(6) 0.3514(6) 0.6370(2) 0.0296(18) Uani 1 1 d . . . . .
O51 O 1.2382(8) 0.6769(7) 0.5540(3) 0.048(2) Uani 1 1 d . . . . .
O52 O 1.3759(8) 0.4908(6) 0.4851(3) 0.046(2) Uani 1 1 d . . . . .
O53 O 0.9837(8) 0.8448(8) 0.5256(3) 0.055(3) Uani 1 1 d . . . . .
O54 O 1.1386(7) 0.1770(7) 0.5704(3) 0.045(2) Uani 1 1 d . . . . .
O1W O 1.1159(7) -0.4477(6) 0.9091(3) 0.043(2) Uani 1 1 d . U . . .
H1WA H 1.1790 -0.4779 0.8975 0.051 Uiso 1 1 d R U . . .
H1WB H 1.0899 -0.3885 0.8950 0.051 Uiso 1 1 d R U . . .
O2W O 0.5441(8) 0.6080(7) 0.9599(3) 0.064(3) Uani 1 1 d . U . . .
H2WA H 0.5965 0.5547 0.9518 0.076 Uiso 1 1 d R U . . .
H2WB H 0.5522 0.6648 0.9458 0.076 Uiso 1 1 d R U . . .
O3W O 1.2319(9) -0.0235(9) 0.6408(3) 0.070(3) Uani 1 1 d . U . . .
H3WA H 1.1716 0.0219 0.6481 0.084 Uiso 1 1 d R U . . .
H3WB H 1.2817 -0.0160 0.6578 0.084 Uiso 1 1 d R U . . .
O4W O 0.5335(9) 0.5043(8) 0.6573(3) 0.072(3) Uani 1 1 d . U . . .
H4WA H 0.5933 0.5085 0.6434 0.086 Uiso 1 1 d R U . . .
H4WB H 0.5483 0.4509 0.6756 0.086 Uiso 1 1 d R U . . .
O5W O 0.9681(10) 0.4133(10) 0.9366(4) 0.098(4) Uani 1 1 d . U . . .
H5WA H 0.9973 0.4637 0.9266 0.118 Uiso 1 1 d R U . . .
H5WB H 0.8984 0.4328 0.9333 0.118 Uiso 1 1 d R U . . .
O6W O 0.3814(12) 0.4929(11) 0.9626(4) 0.118(5) Uani 1 1 d . U . . .
H6WA H 0.3709 0.4734 0.9370 0.142 Uiso 1 1 d R U . . .
H6WB H 0.4322 0.5274 0.9605 0.142 Uiso 1 1 d R U . . .
O7W O 0.4887(11) -0.0015(11) 0.5675(4) 0.114(5) Uani 1 1 d . U . . .
H7WA H 0.5188 -0.0393 0.5937 0.137 Uiso 1 1 d R U . . .
H7WB H 0.4268 -0.0290 0.5600 0.137 Uiso 1 1 d R U . . .
O8W O 1.2209(11) -0.2065(11) 0.6870(5) 0.109(5) Uani 1 1 d . U . . .
H8W H 1.1581 -0.2130 0.6974 0.130 Uiso 1 1 d R U . . .
O9W O 0.4198(12) -0.2841(10) 0.6531(5) 0.118(5) Uani 1 1 d . U . . .
H9WA H 0.4636 -0.2420 0.6521 0.142 Uiso 1 1 d R U . . .
H9WB H 0.4583 -0.3494 0.6544 0.142 Uiso 1 1 d R U . . .
O10W O 1.3092(13) 0.8892(11) 0.5573(4) 0.121(5) Uani 1 1 d . U . . .
H10C H 1.2901 0.8296 0.5560 0.145 Uiso 1 1 d R U . . .
H10D H 1.2869 0.9167 0.5822 0.145 Uiso 1 1 d 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
V1 O22 1.620(7) . ?
V1 O10 1.930(7) . ?
V1 O25 1.943(7) . ?
V1 O9 1.945(6) . ?
V1 O24 1.970(7) . ?
V1 V12 2.793(2) . ?
V2 O29 1.616(7) . ?
V2 O15 1.923(7) . ?
V2 O47 1.953(7) . ?
V2 O31 1.955(7) . ?
V2 O28 1.970(7) . ?
V2 V3 2.852(3) . ?
V3 O46 1.601(7) . ?
V3 O15 1.919(7) . ?
V3 O47 1.923(7) . ?
V3 O36 1.972(7) . ?
V3 O17 2.014(7) . ?
V3 V10 3.003(2) . ?
V3 V4 3.010(3) . ?
V4 O16 1.599(7) . ?
V4 O15 1.915(6) . ?
V4 O20 1.937(6) . ?
V4 O19 1.983(7) . ?
V4 O17 2.000(7) . ?
V4 V5 3.026(2) . ?
V5 O18 1.611(7) . ?
V5 O8 1.909(7) . ?
V5 O20 1.935(7) . ?
V5 O7 1.992(7) . ?
V5 O19 1.996(6) . ?
V5 V7 2.854(3) . ?
V5 V6 3.015(2) . ?
V6 O6 1.601(7) . ?
V6 O8 1.933(7) . ?
V6 O9 1.952(6) . ?
V6 O7 1.965(7) . ?
V6 O39 1.979(7) . ?
V6 V12 3.036(2) . ?
V7 O1 1.604(7) . ?
V7 O20 1.935(7) . ?
V7 O41 1.961(7) . ?
V7 O8 1.962(7) . ?
V7 O40 1.971(7) . ?
V7 H1 2.0453 . ?
V8 O4 1.603(7) . ?
V8 O38 1.924(7) . ?
V8 O10 1.927(7) . ?
V8 O3 1.995(7) . ?
V8 O11 1.996(6) . ?
V8 V12 3.022(2) . ?
V8 V9 3.038(2) . ?
V9 O12 1.598(7) . ?
V9 O37 1.918(7) . ?
V9 O38 1.929(6) . ?
V9 O13 1.994(7) . ?
V9 O11 1.995(6) . ?
V9 V11 2.859(3) . ?
V9 V10 3.018(2) . ?
V10 O14 1.576(7) . ?
V10 O37 1.952(7) . ?
V10 O47 1.958(7) . ?
V10 O36 1.982(7) . ?
V10 O13 1.991(7) . ?
V11 O33 1.608(7) . ?
V11 O38 1.933(7) . ?
V11 O37 1.947(7) . ?
V11 O43 1.957(6) . ?
V11 O5 1.970(6) . ?
V12 O48 1.597(7) . ?
V12 O9 1.913(7) . ?
V12 O10 1.914(6) . ?
V12 O39 2.018(6) . ?
V12 O3 2.016(7) . ?
Ge1 O28 1.716(6) . ?
Ge1 O19 1.730(7) . ?
Ge1 O27 1.760(7) . ?
Ge1 O26 1.768(7) . ?
Ge2 O21 1.717(7) . ?
Ge2 O25 1.731(6) . ?
Ge2 O7 1.767(7) . ?
Ge2 O26 1.782(7) . ?
Ge3 O24 1.727(7) . ?
Ge3 O23 1.740(7) . ?
Ge3 O11 1.761(7) . ?
Ge3 O44 1.772(6) . ?
Ge4 O31 1.734(7) . ?
Ge4 O30 1.743(6) . ?
Ge4 O13 1.745(7) . ?
Ge4 O44 1.771(7) . ?
Ge5 O5 1.714(7) . ?
Ge5 O45 1.712(7) . ?
Ge5 O36 1.737(6) . ?
Ge5 O34 1.767(7) . ?
Ge6 O43 1.722(6) . ?
Ge6 O32 1.728(7) . ?
Ge6 O3 1.744(7) . ?
Ge6 O42 1.777(6) . ?
Ge7 O2 1.708(7) . ?
Ge7 O40 1.727(7) . ?
Ge7 O39 1.741(7) . ?
Ge7 O42 1.758(7) . ?
Ge8 O41 1.709(7) . ?
Ge8 O17 1.737(7) . ?
Ge8 O35 1.736(7) . ?
Ge8 O34 1.761(7) . ?
Cd1 N2 2.272(13) . ?
Cd1 O5 2.299(6) . ?
Cd1 O40 2.303(7) . ?
Cd1 N1 2.333(13) . ?
Cd1 O43 2.362(7) . ?
Cd1 O41 2.366(7) . ?
Cd2 N4 2.285(10) . ?
Cd2 O24 2.307(7) . ?
Cd2 O31 2.317(7) . ?
Cd2 O28 2.325(6) . ?
Cd2 O25 2.348(6) . ?
Cd2 N3 2.383(9) . ?
Cd3 N8 2.282(10) . ?
Cd3 N7 2.295(11) . ?
Cd3 O49 2.304(7) . ?
Cd3 O29 2.432(8) . ?
Cd3 O50 2.428(8) . ?
Cd3 N13 2.434(11) . ?
Cd4 N9 2.256(9) . ?
Cd4 N11 2.281(10) . ?
Cd4 N12 2.298(10) . ?
Cd4 N10 2.325(9) . ?
Cd4 O22 2.425(7) . ?
C1 C2 1.36(2) . ?
C1 N10 1.432(19) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 N9 1.439(17) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.440(18) . ?
C3 N4 1.467(15) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 N3 1.473(16) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 N12 1.490(14) . ?
C5 C6 1.493(16) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 N11 1.480(16) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C12 1.38(2) . ?
C7 N8 1.426(18) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N13 1.426(17) . ?
C8 C8 1.46(3) 2_766 ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 N16 1.420(13) 2_766 ?
C9 N5 1.429(14) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 O49 1.211(12) . ?
C10 N6 1.359(14) . ?
C10 N5 1.360(13) . ?
C11 N5 1.442(13) . ?
C11 N23 1.435(13) . ?
C11 C15 1.539(15) . ?
C11 H11 0.9800 . ?
C12 N7 1.500(17) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 O53 1.226(14) . ?
C13 N23 1.358(16) . ?
C13 N22 1.353(14) . ?
C14 O52 1.194(13) . ?
C14 N17 1.371(14) . ?
C14 N16 1.385(15) . ?
C15 N22 1.430(14) . ?
C15 N6 1.473(12) . ?
C15 H15 0.9800 . ?
C16 N14 1.414(14) . ?
C16 N16 1.441(13) . ?
C16 C29 1.541(15) . ?
C16 H16 0.9800 . ?
C17 N6 1.436(12) . ?
C17 N21 1.444(13) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 N19 1.434(14) . ?
C18 N22 1.473(15) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 N2 1.421(19) . ?
C19 C20 1.43(2) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 N1 1.387(19) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 N19 1.427(13) . ?
C21 N21 1.456(14) . ?
C21 C26 1.551(15) . ?
C21 H21 0.9800 . ?
C22 O51 1.221(13) . ?
C22 N18 1.375(14) . ?
C22 N19 1.380(14) . ?
C23 O50 1.233(12) . ?
C23 N20 1.356(13) . ?
C23 N21 1.364(13) . ?
C24 O54 1.235(14) . ?
C24 N14 1.346(14) . ?
C24 N15 1.373(14) . ?
C25 N23 1.441(14) 2_766 ?
C25 N14 1.437(14) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 N18 1.441(13) . ?
C26 N20 1.448(14) . ?
C26 H26 0.9800 . ?
C27 N20 1.443(13) . ?
C27 N15 1.460(13) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 N18 1.404(14) . ?
C28 N17 1.476(14) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 N15 1.413(13) . ?
C29 N17 1.430(13) . ?
C29 H29 0.9800 . ?
N1 H1C 0.8900 . ?
N1 H1D 0.8900 . ?
N2 H2C 0.8900 . ?
N2 H2D 0.8900 . ?
N3 H3C 0.8900 . ?
N3 H3D 0.8900 . ?
N4 H4C 0.8900 . ?
N4 H4D 0.8900 . ?
N7 H7C 0.8900 . ?
N7 H7D 0.8900 . ?
N8 H8C 0.8900 . ?
N8 H8D 0.8900 . ?
N9 H9C 0.8900 . ?
N9 H9D 0.8900 . ?
N10 H10A 0.8900 . ?
N10 H10B 0.8900 . ?
N11 H11A 0.8900 . ?
N11 H11B 0.8900 . ?
N12 H12C 0.8900 . ?
N12 H12D 0.8900 . ?
N13 H13A 0.8900 . ?
N13 H13B 0.8900 . ?
N16 C9 1.420(13) 2_766 ?
N23 C25 1.441(14) 2_766 ?
O1 H1 0.8501 . ?
O2 H2 0.8499 . ?
O21 H21A 0.8500 . ?
O45 H45 0.8500 . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8499 . ?
O2W H2WA 0.8501 . ?
O2W H2WB 0.8500 . ?
O3W H3WA 0.8501 . ?
O3W H3WB 0.8499 . ?
O4W H4WA 0.8500 . ?
O4W H4WB 0.8501 . ?
O5W H5WA 0.8499 . ?
O5W H5WB 0.8499 . ?
O6W H6WA 0.8502 . ?
O6W H6WB 0.8501 . ?
O7W H7WA 0.9602 . ?
O7W H7WB 0.9600 . ?
O8W H8W 0.8501 . ?
O9W H9WA 0.8500 . ?
O9W H9WB 0.8502 . ?
O10W H10C 0.8500 . ?
O10W H10D 0.8497 . ?

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
O22 V1 O10 108.0(3) . . ?
O22 V1 O25 109.5(3) . . ?
O10 V1 O25 142.4(3) . . ?
O22 V1 O9 105.1(3) . . ?
O10 V1 O9 84.6(3) . . ?
O25 V1 O9 87.8(3) . . ?
O22 V1 O24 107.0(3) . . ?
O10 V1 O24 87.5(3) . . ?
O25 V1 O24 79.7(3) . . ?
O9 V1 O24 147.8(3) . . ?
O22 V1 V12 103.0(3) . . ?
O10 V1 V12 43.18(19) . . ?
O25 V1 V12 127.1(2) . . ?
O9 V1 V12 43.2(2) . . ?
O24 V1 V12 128.4(2) . . ?
O29 V2 O15 104.2(4) . . ?
O29 V2 O47 107.6(3) . . ?
O15 V2 O47 82.9(3) . . ?
O29 V2 O31 111.5(4) . . ?
O15 V2 O31 144.2(3) . . ?
O47 V2 O31 88.5(3) . . ?
O29 V2 O28 104.9(4) . . ?
O15 V2 O28 89.6(3) . . ?
O47 V2 O28 147.5(3) . . ?
O31 V2 O28 79.2(3) . . ?
O29 V2 V3 103.3(3) . . ?
O15 V2 V3 42.0(2) . . ?
O47 V2 V3 42.2(2) . . ?
O31 V2 V3 126.9(2) . . ?
O28 V2 V3 128.8(2) . . ?
O46 V3 O15 113.4(4) . . ?
O46 V3 O47 107.6(3) . . ?
O15 V3 O47 83.8(3) . . ?
O46 V3 O36 107.2(4) . . ?
O15 V3 O36 139.2(3) . . ?
O47 V3 O36 80.3(3) . . ?
O46 V3 O17 108.2(3) . . ?
O15 V3 O17 79.3(3) . . ?
O47 V3 O17 144.0(3) . . ?
O36 V3 O17 92.1(3) . . ?
O46 V3 V2 109.8(3) . . ?
O15 V3 V2 42.13(19) . . ?
O47 V3 V2 43.0(2) . . ?
O36 V3 V2 118.9(2) . . ?
O17 V3 V2 118.9(2) . . ?
O46 V3 V10 110.6(3) . . ?
O15 V3 V10 116.4(2) . . ?
O47 V3 V10 39.7(2) . . ?
O36 V3 V10 40.71(19) . . ?
O17 V3 V10 125.6(2) . . ?
V2 V3 V10 80.96(7) . . ?
O46 V3 V4 114.3(3) . . ?
O15 V3 V4 38.24(19) . . ?
O47 V3 V4 117.8(2) . . ?
O36 V3 V4 124.5(2) . . ?
O17 V3 V4 41.2(2) . . ?
V2 V3 V4 79.64(7) . . ?
V10 V3 V4 134.83(7) . . ?
O16 V4 O15 109.7(3) . . ?
O16 V4 O20 112.8(3) . . ?
O15 V4 O20 137.4(3) . . ?
O16 V4 O19 104.9(4) . . ?
O15 V4 O19 88.9(3) . . ?
O20 V4 O19 79.1(3) . . ?
O16 V4 O17 106.0(4) . . ?
O15 V4 O17 79.7(3) . . ?
O20 V4 O17 90.1(3) . . ?
O19 V4 O17 149.1(3) . . ?
O16 V4 V3 110.3(3) . . ?
O15 V4 V3 38.3(2) . . ?
O20 V4 V3 122.3(2) . . ?
O19 V4 V3 123.6(2) . . ?
O17 V4 V3 41.61(19) . . ?
O16 V4 V5 112.1(3) . . ?
O15 V4 V5 120.4(2) . . ?
O20 V4 V5 38.6(2) . . ?
O19 V4 V5 40.65(19) . . ?
O17 V4 V5 124.6(2) . . ?
V3 V4 V5 137.51(7) . . ?
O18 V5 O8 112.2(3) . . ?
O18 V5 O20 109.8(3) . . ?
O8 V5 O20 84.6(3) . . ?
O18 V5 O7 108.5(3) . . ?
O8 V5 O7 78.5(3) . . ?
O20 V5 O7 141.6(3) . . ?
O18 V5 O19 110.0(3) . . ?
O8 V5 O19 137.7(3) . . ?
O20 V5 O19 78.8(3) . . ?
O7 V5 O19 91.0(3) . . ?
O18 V5 V7 111.2(3) . . ?
O8 V5 V7 43.2(2) . . ?
O20 V5 V7 42.5(2) . . ?
O7 V5 V7 118.1(2) . . ?
O19 V5 V7 116.4(2) . . ?
O18 V5 V6 114.2(3) . . ?
O8 V5 V6 38.6(2) . . ?
O20 V5 V6 117.4(2) . . ?
O7 V5 V6 40.03(19) . . ?
O19 V5 V6 121.6(2) . . ?
V7 V5 V6 80.44(6) . . ?
O18 V5 V4 113.4(3) . . ?
O8 V5 V4 115.9(2) . . ?
O20 V5 V4 38.64(19) . . ?
O7 V5 V4 123.7(2) . . ?
O19 V5 V4 40.4(2) . . ?
V7 V5 V4 79.14(7) . . ?
V6 V5 V4 132.24(7) . . ?
O6 V6 O8 112.2(3) . . ?
O6 V6 O9 112.7(3) . . ?
O8 V6 O9 135.0(3) . . ?
O6 V6 O7 106.4(3) . . ?
O8 V6 O7 78.6(3) . . ?
O9 V6 O7 88.9(3) . . ?
O6 V6 O39 105.0(3) . . ?
O8 V6 O39 90.0(3) . . ?
O9 V6 O39 78.7(3) . . ?
O7 V6 O39 148.6(3) . . ?
O6 V6 V5 112.8(3) . . ?
O8 V6 V5 38.0(2) . . ?
O9 V6 V5 119.3(2) . . ?
O7 V6 V5 40.70(19) . . ?
O39 V6 V5 123.8(2) . . ?
O6 V6 V12 112.1(3) . . ?
O8 V6 V12 120.3(2) . . ?
O9 V6 V12 37.79(19) . . ?
O7 V6 V12 122.9(2) . . ?
O39 V6 V12 41.05(19) . . ?
V5 V6 V12 135.07(7) . . ?
O1 V7 O20 106.9(3) . . ?
O1 V7 O41 106.2(4) . . ?
O20 V7 O41 89.3(3) . . ?
O1 V7 O8 107.4(3) . . ?
O20 V7 O8 83.1(3) . . ?
O41 V7 O8 146.3(3) . . ?
O1 V7 O40 107.9(3) . . ?
O20 V7 O40 145.2(3) . . ?
O41 V7 O40 79.2(3) . . ?
O8 V7 O40 88.4(3) . . ?
O1 V7 V5 105.6(3) . . ?
O20 V7 V5 42.5(2) . . ?
O41 V7 V5 128.2(2) . . ?
O8 V7 V5 41.8(2) . . ?
O40 V7 V5 126.5(2) . . ?
O1 V7 H1 23.1 . . ?
O20 V7 H1 122.4 . . ?
O41 V7 H1 88.5 . . ?
O8 V7 H1 123.1 . . ?
O40 V7 H1 90.3 . . ?
V5 V7 H1 128.8 . . ?
O4 V8 O38 113.0(3) . . ?
O4 V8 O10 112.4(3) . . ?
O38 V8 O10 134.6(3) . . ?
O4 V8 O3 103.3(3) . . ?
O38 V8 O3 90.7(3) . . ?
O10 V8 O3 79.0(3) . . ?
O4 V8 O11 107.3(3) . . ?
O38 V8 O11 78.3(3) . . ?
O10 V8 O11 88.5(3) . . ?
O3 V8 O11 149.4(3) . . ?
O4 V8 V12 109.6(3) . . ?
O38 V8 V12 121.7(2) . . ?
O10 V8 V12 37.97(19) . . ?
O3 V8 V12 41.4(2) . . ?
O11 V8 V12 123.4(2) . . ?
O4 V8 V9 114.1(3) . . ?
O38 V8 V9 38.03(19) . . ?
O10 V8 V9 118.4(2) . . ?
O3 V8 V9 124.6(2) . . ?
O11 V8 V9 40.43(19) . . ?
V12 V8 V9 136.24(7) . . ?
O12 V9 O37 111.6(3) . . ?
O12 V9 O38 110.2(3) . . ?
O37 V9 O38 83.7(3) . . ?
O12 V9 O13 109.7(3) . . ?
O37 V9 O13 79.7(3) . . ?
O38 V9 O13 140.0(3) . . ?
O12 V9 O11 108.8(3) . . ?
O37 V9 O11 139.3(3) . . ?
O38 V9 O11 78.3(3) . . ?
O13 V9 O11 91.3(3) . . ?
O12 V9 V11 110.4(3) . . ?
O37 V9 V11 42.7(2) . . ?
O38 V9 V11 42.3(2) . . ?
O13 V9 V11 118.4(2) . . ?
O11 V9 V11 116.72(19) . . ?
O12 V9 V10 113.8(3) . . ?
O37 V9 V10 39.2(2) . . ?
O38 V9 V10 116.9(2) . . ?
O13 V9 V10 40.75(19) . . ?
O11 V9 V10 123.7(2) . . ?
V11 V9 V10 80.51(6) . . ?
O12 V9 V8 113.2(3) . . ?
O37 V9 V8 115.2(2) . . ?
O38 V9 V8 37.9(2) . . ?
O13 V9 V8 123.1(2) . . ?
O11 V9 V8 40.45(19) . . ?
V11 V9 V8 78.67(6) . . ?
V10 V9 V8 132.63(7) . . ?
O14 V10 O37 113.3(4) . . ?
O14 V10 O47 110.3(3) . . ?
O37 V10 O47 136.4(3) . . ?
O14 V10 O36 105.6(4) . . ?
O37 V10 O36 88.4(3) . . ?
O47 V10 O36 79.2(3) . . ?
O14 V10 O13 107.0(4) . . ?
O37 V10 O13 78.9(3) . . ?
O47 V10 O13 89.5(3) . . ?
O36 V10 O13 147.4(3) . . ?
O14 V10 V3 111.2(3) . . ?
O37 V10 V3 119.2(2) . . ?
O47 V10 V3 38.9(2) . . ?
O36 V10 V3 40.45(19) . . ?
O13 V10 V3 123.5(2) . . ?
O14 V10 V9 113.1(3) . . ?
O37 V10 V9 38.4(2) . . ?
O47 V10 V9 121.0(2) . . ?
O36 V10 V9 122.8(2) . . ?
O13 V10 V9 40.82(19) . . ?
V3 V10 V9 135.64(7) . . ?
O33 V11 O38 109.9(3) . . ?
O33 V11 O37 107.1(3) . . ?
O38 V11 O37 82.8(3) . . ?
O33 V11 O43 105.8(3) . . ?
O38 V11 O43 89.2(3) . . ?
O37 V11 O43 146.9(3) . . ?
O33 V11 O5 105.2(3) . . ?
O38 V11 O5 144.8(3) . . ?
O37 V11 O5 88.7(3) . . ?
O43 V11 O5 79.6(3) . . ?
O33 V11 V9 106.9(3) . . ?
O38 V11 V9 42.19(19) . . ?
O37 V11 V9 41.90(19) . . ?
O43 V11 V9 128.4(2) . . ?
O5 V11 V9 127.0(2) . . ?
O48 V12 O9 107.4(3) . . ?
O48 V12 O10 109.6(3) . . ?
O9 V12 O10 85.9(3) . . ?
O48 V12 O39 110.2(3) . . ?
O9 V12 O39 78.6(3) . . ?
O10 V12 O39 139.9(3) . . ?
O48 V12 O3 110.2(3) . . ?
O9 V12 O3 142.3(3) . . ?
O10 V12 O3 78.8(3) . . ?
O39 V12 O3 91.3(3) . . ?
O48 V12 V1 105.9(3) . . ?
O9 V12 V1 44.07(19) . . ?
O10 V12 V1 43.6(2) . . ?
O39 V12 V1 119.1(2) . . ?
O3 V12 V1 119.6(2) . . ?
O48 V12 V8 112.2(3) . . ?
O9 V12 V8 119.2(2) . . ?
O10 V12 V8 38.3(2) . . ?
O39 V12 V8 124.4(2) . . ?
O3 V12 V8 40.86(19) . . ?
V1 V12 V8 81.16(7) . . ?
O48 V12 V6 111.9(3) . . ?
O9 V12 V6 38.68(19) . . ?
O10 V12 V6 117.9(2) . . ?
O39 V12 V6 40.11(19) . . ?
O3 V12 V6 124.1(2) . . ?
V1 V12 V6 81.45(7) . . ?
V8 V12 V6 135.52(7) . . ?
O28 Ge1 O19 115.7(3) . . ?
O28 Ge1 O27 112.6(3) . . ?
O19 Ge1 O27 108.6(3) . . ?
O28 Ge1 O26 107.8(3) . . ?
O19 Ge1 O26 104.4(3) . . ?
O27 Ge1 O26 107.2(3) . . ?
O21 Ge2 O25 115.0(3) . . ?
O21 Ge2 O7 107.3(3) . . ?
O25 Ge2 O7 114.8(3) . . ?
O21 Ge2 O26 109.2(3) . . ?
O25 Ge2 O26 106.0(3) . . ?
O7 Ge2 O26 104.0(3) . . ?
O24 Ge3 O23 108.5(3) . . ?
O24 Ge3 O11 115.3(3) . . ?
O23 Ge3 O11 112.6(3) . . ?
O24 Ge3 O44 108.3(3) . . ?
O23 Ge3 O44 106.0(3) . . ?
O11 Ge3 O44 105.7(3) . . ?
O31 Ge4 O30 114.5(3) . . ?
O31 Ge4 O13 114.8(3) . . ?
O30 Ge4 O13 107.7(3) . . ?
O31 Ge4 O44 106.3(3) . . ?
O30 Ge4 O44 108.8(3) . . ?
O13 Ge4 O44 104.1(3) . . ?
O5 Ge5 O45 115.5(3) . . ?
O5 Ge5 O36 113.7(3) . . ?
O45 Ge5 O36 105.7(3) . . ?
O5 Ge5 O34 106.8(3) . . ?
O45 Ge5 O34 108.2(3) . . ?
O36 Ge5 O34 106.5(3) . . ?
O43 Ge6 O32 111.1(4) . . ?
O43 Ge6 O3 111.2(3) . . ?
O32 Ge6 O3 111.9(3) . . ?
O43 Ge6 O42 107.8(3) . . ?
O32 Ge6 O42 108.7(3) . . ?
O3 Ge6 O42 105.9(3) . . ?
O2 Ge7 O40 114.5(3) . . ?
O2 Ge7 O39 105.7(3) . . ?
O40 Ge7 O39 113.8(3) . . ?
O2 Ge7 O42 108.7(3) . . ?
O40 Ge7 O42 107.5(3) . . ?
O39 Ge7 O42 106.3(3) . . ?
O41 Ge8 O17 112.3(3) . . ?
O41 Ge8 O35 116.2(4) . . ?
O17 Ge8 O35 108.2(4) . . ?
O41 Ge8 O34 108.0(3) . . ?
O17 Ge8 O34 106.0(3) . . ?
O35 Ge8 O34 105.3(3) . . ?
N2 Cd1 O5 109.8(4) . . ?
N2 Cd1 O40 119.7(4) . . ?
O5 Cd1 O40 119.8(2) . . ?
N2 Cd1 N1 72.2(5) . . ?
O5 Cd1 N1 128.7(4) . . ?
O40 Cd1 N1 98.6(4) . . ?
N2 Cd1 O43 146.7(4) . . ?
O5 Cd1 O43 65.2(2) . . ?
O40 Cd1 O43 87.4(2) . . ?
N1 Cd1 O43 85.7(4) . . ?
N2 Cd1 O41 87.8(4) . . ?
O5 Cd1 O41 86.3(2) . . ?
O40 Cd1 O41 64.9(2) . . ?
N1 Cd1 O41 143.5(4) . . ?
O43 Cd1 O41 123.3(3) . . ?
N4 Cd2 O24 124.1(3) . . ?
N4 Cd2 O31 144.6(3) . . ?
O24 Cd2 O31 88.4(2) . . ?
N4 Cd2 O28 101.8(3) . . ?
O24 Cd2 O28 122.0(3) . . ?
O31 Cd2 O28 65.2(2) . . ?
N4 Cd2 O25 89.4(3) . . ?
O24 Cd2 O25 65.2(2) . . ?
O31 Cd2 O25 119.7(2) . . ?
O28 Cd2 O25 83.9(2) . . ?
N4 Cd2 N3 74.4(3) . . ?
O24 Cd2 N3 103.2(3) . . ?
O31 Cd2 N3 85.7(3) . . ?
O28 Cd2 N3 123.4(3) . . ?
O25 Cd2 N3 150.2(3) . . ?
N8 Cd3 N7 76.9(4) . . ?
N8 Cd3 O49 165.3(4) . . ?
N7 Cd3 O49 88.9(3) . . ?
N8 Cd3 O29 113.9(3) . . ?
N7 Cd3 O29 97.4(3) . . ?
O49 Cd3 O29 71.2(3) . . ?
N8 Cd3 O50 96.0(4) . . ?
N7 Cd3 O50 170.4(3) . . ?
O49 Cd3 O50 98.6(3) . . ?
O29 Cd3 O50 79.4(3) . . ?
N8 Cd3 N13 90.4(4) . . ?
N7 Cd3 N13 96.5(4) . . ?
O49 Cd3 N13 87.4(3) . . ?
O29 Cd3 N13 154.2(3) . . ?
O50 Cd3 N13 90.0(4) . . ?
N9 Cd4 N11 149.8(3) . . ?
N9 Cd4 N12 131.9(3) . . ?
N11 Cd4 N12 77.0(3) . . ?
N9 Cd4 N10 77.2(4) . . ?
N11 Cd4 N10 96.9(4) . . ?
N12 Cd4 N10 119.5(4) . . ?
N9 Cd4 O22 83.1(3) . . ?
N11 Cd4 O22 91.4(3) . . ?
N12 Cd4 O22 86.7(3) . . ?
N10 Cd4 O22 153.7(3) . . ?
C2 C1 N10 122.1(15) . . ?
C2 C1 H1A 106.8 . . ?
N10 C1 H1A 106.8 . . ?
C2 C1 H1B 106.8 . . ?
N10 C1 H1B 106.8 . . ?
H1A C1 H1B 106.7 . . ?
C1 C2 N9 118.1(14) . . ?
C1 C2 H2A 107.8 . . ?
N9 C2 H2A 107.8 . . ?
C1 C2 H2B 107.8 . . ?
N9 C2 H2B 107.8 . . ?
H2A C2 H2B 107.1 . . ?
C4 C3 N4 110.3(12) . . ?
C4 C3 H3A 109.6 . . ?
N4 C3 H3A 109.6 . . ?
C4 C3 H3B 109.6 . . ?
N4 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
C3 C4 N3 111.9(12) . . ?
C3 C4 H4A 109.2 . . ?
N3 C4 H4A 109.2 . . ?
C3 C4 H4B 109.2 . . ?
N3 C4 H4B 109.2 . . ?
H4A C4 H4B 107.9 . . ?
N12 C5 C6 108.8(10) . . ?
N12 C5 H5A 109.9 . . ?
C6 C5 H5A 109.9 . . ?
N12 C5 H5B 109.9 . . ?
C6 C5 H5B 109.9 . . ?
H5A C5 H5B 108.3 . . ?
N11 C6 C5 111.4(11) . . ?
N11 C6 H6A 109.3 . . ?
C5 C6 H6A 109.3 . . ?
N11 C6 H6B 109.3 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 108.0 . . ?
C12 C7 N8 115.0(13) . . ?
C12 C7 H7A 108.5 . . ?
N8 C7 H7A 108.5 . . ?
C12 C7 H7B 108.5 . . ?
N8 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
N13 C8 C8 120.5(16) . 2_766 ?
N13 C8 H8A 107.2 . . ?
C8 C8 H8A 107.2 2_766 . ?
N13 C8 H8B 107.2 . . ?
C8 C8 H8B 107.2 2_766 . ?
H8A C8 H8B 106.8 . . ?
N16 C9 N5 116.0(10) 2_766 . ?
N16 C9 H9A 108.3 2_766 . ?
N5 C9 H9A 108.3 . . ?
N16 C9 H9B 108.3 2_766 . ?
N5 C9 H9B 108.3 . . ?
H9A C9 H9B 107.4 . . ?
O49 C10 N6 125.9(10) . . ?
O49 C10 N5 124.0(11) . . ?
N6 C10 N5 110.1(9) . . ?
N5 C11 N23 115.6(8) . . ?
N5 C11 C15 103.9(8) . . ?
N23 C11 C15 103.3(9) . . ?
N5 C11 H11 111.2 . . ?
N23 C11 H11 111.2 . . ?
C15 C11 H11 111.2 . . ?
C7 C12 N7 115.8(13) . . ?
C7 C12 H12A 108.3 . . ?
N7 C12 H12A 108.3 . . ?
C7 C12 H12B 108.3 . . ?
N7 C12 H12B 108.3 . . ?
H12A C12 H12B 107.4 . . ?
O53 C13 N23 127.1(12) . . ?
O53 C13 N22 124.8(13) . . ?
N23 C13 N22 108.1(10) . . ?
O52 C14 N17 127.5(12) . . ?
O52 C14 N16 127.3(11) . . ?
N17 C14 N16 105.1(10) . . ?
N22 C15 N6 113.4(8) . . ?
N22 C15 C11 103.2(8) . . ?
N6 C15 C11 103.4(8) . . ?
N22 C15 H15 112.1 . . ?
N6 C15 H15 112.1 . . ?
C11 C15 H15 112.1 . . ?
N14 C16 N16 116.0(9) . . ?
N14 C16 C29 103.3(9) . . ?
N16 C16 C29 102.2(9) . . ?
N14 C16 H16 111.5 . . ?
N16 C16 H16 111.5 . . ?
C29 C16 H16 111.5 . . ?
N6 C17 N21 114.6(9) . . ?
N6 C17 H17A 108.6 . . ?
N21 C17 H17A 108.6 . . ?
N6 C17 H17B 108.6 . . ?
N21 C17 H17B 108.6 . . ?
H17A C17 H17B 107.6 . . ?
N19 C18 N22 114.2(9) . . ?
N19 C18 H18A 108.7 . . ?
N22 C18 H18A 108.7 . . ?
N19 C18 H18B 108.7 . . ?
N22 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
N2 C19 C20 113.5(13) . . ?
N2 C19 H19A 108.9 . . ?
C20 C19 H19A 108.9 . . ?
N2 C19 H19B 108.9 . . ?
C20 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
N1 C20 C19 116.3(14) . . ?
N1 C20 H20A 108.2 . . ?
C19 C20 H20A 108.2 . . ?
N1 C20 H20B 108.2 . . ?
C19 C20 H20B 108.2 . . ?
H20A C20 H20B 107.4 . . ?
N19 C21 N21 115.5(9) . . ?
N19 C21 C26 104.0(9) . . ?
N21 C21 C26 103.2(9) . . ?
N19 C21 H21 111.2 . . ?
N21 C21 H21 111.2 . . ?
C26 C21 H21 111.2 . . ?
O51 C22 N18 127.2(11) . . ?
O51 C22 N19 124.2(11) . . ?
N18 C22 N19 108.5(10) . . ?
O50 C23 N20 126.2(10) . . ?
O50 C23 N21 125.6(10) . . ?
N20 C23 N21 108.1(10) . . ?
O54 C24 N14 127.1(11) . . ?
O54 C24 N15 125.2(11) . . ?
N14 C24 N15 107.7(10) . . ?
N23 C25 N14 115.5(9) 2_766 . ?
N23 C25 H25A 108.4 2_766 . ?
N14 C25 H25A 108.4 . . ?
N23 C25 H25B 108.4 2_766 . ?
N14 C25 H25B 108.4 . . ?
H25A C25 H25B 107.5 . . ?
N18 C26 N20 114.9(9) . . ?
N18 C26 C21 103.6(8) . . ?
N20 C26 C21 102.7(9) . . ?
N18 C26 H26 111.7 . . ?
N20 C26 H26 111.7 . . ?
C21 C26 H26 111.7 . . ?
N20 C27 N15 114.1(9) . . ?
N20 C27 H27A 108.7 . . ?
N15 C27 H27A 108.7 . . ?
N20 C27 H27B 108.7 . . ?
N15 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
N18 C28 N17 115.8(9) . . ?
N18 C28 H28A 108.3 . . ?
N17 C28 H28A 108.3 . . ?
N18 C28 H28B 108.3 . . ?
N17 C28 H28B 108.3 . . ?
H28A C28 H28B 107.4 . . ?
N15 C29 N17 116.1(9) . . ?
N15 C29 C16 103.4(9) . . ?
N17 C29 C16 103.9(8) . . ?
N15 C29 H29 111.0 . . ?
N17 C29 H29 111.0 . . ?
C16 C29 H29 111.0 . . ?
C20 N1 Cd1 113.7(11) . . ?
C20 N1 H1C 108.8 . . ?
Cd1 N1 H1C 108.8 . . ?
C20 N1 H1D 108.8 . . ?
Cd1 N1 H1D 108.8 . . ?
H1C N1 H1D 107.7 . . ?
C19 N2 Cd1 115.9(10) . . ?
C19 N2 H2C 108.3 . . ?
Cd1 N2 H2C 108.3 . . ?
C19 N2 H2D 108.3 . . ?
Cd1 N2 H2D 108.3 . . ?
H2C N2 H2D 107.4 . . ?
C4 N3 Cd2 106.6(7) . . ?
C4 N3 H3C 110.4 . . ?
Cd2 N3 H3C 110.4 . . ?
C4 N3 H3D 110.4 . . ?
Cd2 N3 H3D 110.4 . . ?
H3C N3 H3D 108.6 . . ?
C3 N4 Cd2 112.3(8) . . ?
C3 N4 H4C 109.2 . . ?
Cd2 N4 H4C 109.2 . . ?
C3 N4 H4D 109.2 . . ?
Cd2 N4 H4D 109.2 . . ?
H4C N4 H4D 107.9 . . ?
C10 N5 C9 122.9(9) . . ?
C10 N5 C11 111.9(9) . . ?
C9 N5 C11 124.7(8) . . ?
C10 N6 C17 124.8(9) . . ?
C10 N6 C15 110.7(9) . . ?
C17 N6 C15 122.5(9) . . ?
C12 N7 Cd3 107.5(8) . . ?
C12 N7 H7C 110.2 . . ?
Cd3 N7 H7C 110.2 . . ?
C12 N7 H7D 110.2 . . ?
Cd3 N7 H7D 110.2 . . ?
H7C N7 H7D 108.5 . . ?
C7 N8 Cd3 107.9(9) . . ?
C7 N8 H8C 110.1 . . ?
Cd3 N8 H8C 110.1 . . ?
C7 N8 H8D 110.1 . . ?
Cd3 N8 H8D 110.1 . . ?
H8C N8 H8D 108.4 . . ?
C2 N9 Cd4 110.3(8) . . ?
C2 N9 H9C 109.6 . . ?
Cd4 N9 H9C 109.6 . . ?
C2 N9 H9D 109.6 . . ?
Cd4 N9 H9D 109.6 . . ?
H9C N9 H9D 108.1 . . ?
C1 N10 Cd4 107.4(9) . . ?
C1 N10 H10A 110.2 . . ?
Cd4 N10 H10A 110.2 . . ?
C1 N10 H10B 110.2 . . ?
Cd4 N10 H10B 110.2 . . ?
H10A N10 H10B 108.5 . . ?
C6 N11 Cd4 108.8(7) . . ?
C6 N11 H11A 109.9 . . ?
Cd4 N11 H11A 109.9 . . ?
C6 N11 H11B 109.9 . . ?
Cd4 N11 H11B 109.9 . . ?
H11A N11 H11B 108.3 . . ?
C5 N12 Cd4 108.9(7) . . ?
C5 N12 H12C 109.9 . . ?
Cd4 N12 H12C 109.9 . . ?
C5 N12 H12D 109.9 . . ?
Cd4 N12 H12D 109.9 . . ?
H12C N12 H12D 108.3 . . ?
C8 N13 Cd3 129.2(9) . . ?
C8 N13 H13A 105.0 . . ?
Cd3 N13 H13A 105.0 . . ?
C8 N13 H13B 105.0 . . ?
Cd3 N13 H13B 105.0 . . ?
H13A N13 H13B 105.8 . . ?
C24 N14 C16 113.2(9) . . ?
C24 N14 C25 121.7(10) . . ?
C16 N14 C25 124.3(10) . . ?
C24 N15 C29 112.3(9) . . ?
C24 N15 C27 121.2(9) . . ?
C29 N15 C27 126.1(9) . . ?
C14 N16 C9 120.3(9) . 2_766 ?
C14 N16 C16 114.4(9) . . ?
C9 N16 C16 125.3(9) 2_766 . ?
C14 N17 C29 114.3(9) . . ?
C14 N17 C28 120.4(10) . . ?
C29 N17 C28 125.3(9) . . ?
C22 N18 C28 120.3(9) . . ?
C22 N18 C26 111.7(9) . . ?
C28 N18 C26 127.1(9) . . ?
C22 N19 C21 112.0(9) . . ?
C22 N19 C18 122.2(10) . . ?
C21 N19 C18 125.0(10) . . ?
C23 N20 C27 123.3(9) . . ?
C23 N20 C26 113.5(9) . . ?
C27 N20 C26 123.2(9) . . ?
C23 N21 C17 122.0(9) . . ?
C23 N21 C21 112.5(9) . . ?
C17 N21 C21 125.0(8) . . ?
C13 N22 C15 112.9(10) . . ?
C13 N22 C18 122.9(10) . . ?
C15 N22 C18 122.6(9) . . ?
C13 N23 C25 123.7(10) . 2_766 ?
C13 N23 C11 112.5(10) . . ?
C25 N23 C11 123.6(10) 2_766 . ?
V7 O1 H1 109.0 . . ?
Ge7 O2 H2 108.9 . . ?
Ge6 O3 V8 124.1(3) . . ?
Ge6 O3 V12 136.2(4) . . ?
V8 O3 V12 97.8(3) . . ?
Ge5 O5 V11 124.9(4) . . ?
Ge5 O5 Cd1 126.6(3) . . ?
V11 O5 Cd1 108.4(3) . . ?
Ge2 O7 V6 122.1(3) . . ?
Ge2 O7 V5 135.4(4) . . ?
V6 O7 V5 99.3(3) . . ?
V5 O8 V6 103.4(3) . . ?
V5 O8 V7 95.0(3) . . ?
V6 O8 V7 153.5(4) . . ?
V12 O9 V1 92.8(3) . . ?
V12 O9 V6 103.5(3) . . ?
V1 O9 V6 155.4(4) . . ?
V12 O10 V8 103.8(3) . . ?
V12 O10 V1 93.2(3) . . ?
V8 O10 V1 158.2(4) . . ?
Ge3 O11 V9 134.9(3) . . ?
Ge3 O11 V8 123.3(3) . . ?
V9 O11 V8 99.1(3) . . ?
Ge4 O13 V10 122.0(3) . . ?
Ge4 O13 V9 137.4(4) . . ?
V10 O13 V9 98.4(3) . . ?
V4 O15 V3 103.4(3) . . ?
V4 O15 V2 156.1(4) . . ?
V3 O15 V2 95.8(3) . . ?
Ge8 O17 V4 125.0(4) . . ?
Ge8 O17 V3 135.2(4) . . ?
V4 O17 V3 97.2(3) . . ?
Ge1 O19 V4 122.8(3) . . ?
Ge1 O19 V5 137.1(4) . . ?
V4 O19 V5 99.0(3) . . ?
V5 O20 V7 95.0(3) . . ?
V5 O20 V4 102.8(3) . . ?
V7 O20 V4 150.9(4) . . ?
Ge2 O21 H21A 108.9 . . ?
V1 O22 Cd4 158.5(4) . . ?
Ge3 O24 V1 127.4(4) . . ?
Ge3 O24 Cd2 123.7(3) . . ?
V1 O24 Cd2 107.7(3) . . ?
Ge2 O25 V1 124.7(3) . . ?
Ge2 O25 Cd2 128.3(3) . . ?
V1 O25 Cd2 107.0(3) . . ?
Ge1 O26 Ge2 117.1(4) . . ?
Ge1 O28 V2 124.0(4) . . ?
Ge1 O28 Cd2 127.7(4) . . ?
V2 O28 Cd2 107.3(3) . . ?
V2 O29 Cd3 139.1(4) . . ?
Ge4 O31 V2 126.0(4) . . ?
Ge4 O31 Cd2 125.2(3) . . ?
V2 O31 Cd2 108.1(3) . . ?
Ge8 O34 Ge5 117.5(4) . . ?
Ge5 O36 V3 135.4(4) . . ?
Ge5 O36 V10 123.8(4) . . ?
V3 O36 V10 98.8(3) . . ?
V9 O37 V11 95.4(3) . . ?
V9 O37 V10 102.5(3) . . ?
V11 O37 V10 154.1(4) . . ?
V8 O38 V9 104.1(3) . . ?
V8 O38 V11 151.7(4) . . ?
V9 O38 V11 95.5(3) . . ?
Ge7 O39 V6 123.1(3) . . ?
Ge7 O39 V12 135.4(4) . . ?
V6 O39 V12 98.8(3) . . ?
Ge7 O40 V7 125.9(4) . . ?
Ge7 O40 Cd1 125.1(4) . . ?
V7 O40 Cd1 108.8(3) . . ?
Ge8 O41 V7 128.3(4) . . ?
Ge8 O41 Cd1 124.2(4) . . ?
V7 O41 Cd1 106.7(3) . . ?
Ge7 O42 Ge6 118.1(3) . . ?
Ge6 O43 V11 129.1(4) . . ?
Ge6 O43 Cd1 123.7(3) . . ?
V11 O43 Cd1 106.4(3) . . ?
Ge3 O44 Ge4 118.0(4) . . ?
Ge5 O45 H45 108.9 . . ?
V3 O47 V2 94.7(3) . . ?
V3 O47 V10 101.4(3) . . ?
V2 O47 V10 153.0(4) . . ?
C10 O49 Cd3 137.1(8) . . ?
C23 O50 Cd3 135.6(7) . . ?
H1WA O1W H1WB 108.7 . . ?
H2WA O2W H2WB 108.4 . . ?
H3WA O3W H3WB 108.3 . . ?
H4WA O4W H4WB 108.4 . . ?
H5WA O5W H5WB 108.8 . . ?
H6WA O6W H6WB 108.5 . . ?
H7WA O7W H7WB 108.0 . . ?
H9WA O9W H9WB 108.5 . . ?
H10C O10W H10D 108.4 . . ?

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
N10 C1 C2 N9 -26(3) . . . . ?
N4 C3 C4 N3 57.3(18) . . . . ?
N12 C5 C6 N11 -57.4(15) . . . . ?
N8 C7 C12 N7 48(2) . . . . ?
N5 C11 C15 N22 120.2(8) . . . . ?
N23 C11 C15 N22 -0.9(10) . . . . ?
N5 C11 C15 N6 1.8(10) . . . . ?
N23 C11 C15 N6 -119.3(8) . . . . ?
N2 C19 C20 N1 34(2) . . . . ?
N19 C21 C26 N18 -1.9(11) . . . . ?
N21 C21 C26 N18 119.2(9) . . . . ?
N19 C21 C26 N20 -121.8(9) . . . . ?
N21 C21 C26 N20 -0.7(10) . . . . ?
N14 C16 C29 N15 2.0(11) . . . . ?
N16 C16 C29 N15 122.8(9) . . . . ?
N14 C16 C29 N17 -119.7(9) . . . . ?
N16 C16 C29 N17 1.1(11) . . . . ?
C19 C20 N1 Cd1 -25.4(19) . . . . ?
C20 C19 N2 Cd1 -25.8(18) . . . . ?
C3 C4 N3 Cd2 -44.7(15) . . . . ?
C4 C3 N4 Cd2 -38.7(16) . . . . ?
O49 C10 N5 C9 7.1(16) . . . . ?
N6 C10 N5 C9 -171.8(9) . . . . ?
O49 C10 N5 C11 178.8(10) . . . . ?
N6 C10 N5 C11 -0.1(12) . . . . ?
N16 C9 N5 C10 -103.2(12) 2_766 . . . ?
N16 C9 N5 C11 86.2(12) 2_766 . . . ?
N23 C11 N5 C10 111.3(11) . . . . ?
C15 C11 N5 C10 -1.1(11) . . . . ?
N23 C11 N5 C9 -77.2(13) . . . . ?
C15 C11 N5 C9 170.4(9) . . . . ?
O49 C10 N6 C17 -13.5(17) . . . . ?
N5 C10 N6 C17 165.4(9) . . . . ?
O49 C10 N6 C15 -177.5(10) . . . . ?
N5 C10 N6 C15 1.4(12) . . . . ?
N21 C17 N6 C10 111.6(11) . . . . ?
N21 C17 N6 C15 -86.1(11) . . . . ?
N22 C15 N6 C10 -113.0(10) . . . . ?
C11 C15 N6 C10 -2.0(11) . . . . ?
N22 C15 N6 C17 82.5(12) . . . . ?
C11 C15 N6 C17 -166.4(9) . . . . ?
C7 C12 N7 Cd3 -26.4(17) . . . . ?
C12 C7 N8 Cd3 -41.9(18) . . . . ?
C1 C2 N9 Cd4 23(2) . . . . ?
C2 C1 N10 Cd4 14(2) . . . . ?
C5 C6 N11 Cd4 41.5(13) . . . . ?
C6 C5 N12 Cd4 42.4(12) . . . . ?
C8 C8 N13 Cd3 -177.4(17) 2_766 . . . ?
O54 C24 N14 C16 -177.4(11) . . . . ?
N15 C24 N14 C16 1.5(13) . . . . ?
O54 C24 N14 C25 -7.2(19) . . . . ?
N15 C24 N14 C25 171.7(10) . . . . ?
N16 C16 N14 C24 -113.1(11) . . . . ?
C29 C16 N14 C24 -2.2(12) . . . . ?
N16 C16 N14 C25 77.0(14) . . . . ?
C29 C16 N14 C25 -172.1(9) . . . . ?
N23 C25 N14 C24 102.9(13) 2_766 . . . ?
N23 C25 N14 C16 -88.1(14) 2_766 . . . ?
O54 C24 N15 C29 178.9(11) . . . . ?
N14 C24 N15 C29 0.0(13) . . . . ?
O54 C24 N15 C27 5.3(18) . . . . ?
N14 C24 N15 C27 -173.6(9) . . . . ?
N17 C29 N15 C24 111.7(11) . . . . ?
C16 C29 N15 C24 -1.3(12) . . . . ?
N17 C29 N15 C27 -75.0(13) . . . . ?
C16 C29 N15 C27 172.0(9) . . . . ?
N20 C27 N15 C24 -97.7(12) . . . . ?
N20 C27 N15 C29 89.6(13) . . . . ?
O52 C14 N16 C9 2(2) . . . 2_766 ?
N17 C14 N16 C9 -176.1(10) . . . 2_766 ?
O52 C14 N16 C16 -179.4(12) . . . . ?
N17 C14 N16 C16 2.5(13) . . . . ?
N14 C16 N16 C14 109.3(12) . . . . ?
C29 C16 N16 C14 -2.3(13) . . . . ?
N14 C16 N16 C9 -72.2(15) . . . 2_766 ?
C29 C16 N16 C9 176.3(11) . . . 2_766 ?
O52 C14 N17 C29 -179.8(12) . . . . ?
N16 C14 N17 C29 -1.7(13) . . . . ?
O52 C14 N17 C28 -0.6(19) . . . . ?
N16 C14 N17 C28 177.5(10) . . . . ?
N15 C29 N17 C14 -112.5(11) . . . . ?
C16 C29 N17 C14 0.3(12) . . . . ?
N15 C29 N17 C28 68.4(14) . . . . ?
C16 C29 N17 C28 -178.8(10) . . . . ?
N18 C28 N17 C14 100.6(12) . . . . ?
N18 C28 N17 C29 -80.4(13) . . . . ?
O51 C22 N18 C28 6.5(19) . . . . ?
N19 C22 N18 C28 -173.8(10) . . . . ?
O51 C22 N18 C26 176.9(13) . . . . ?
N19 C22 N18 C26 -3.4(14) . . . . ?
N17 C28 N18 C22 -104.1(12) . . . . ?
N17 C28 N18 C26 87.1(14) . . . . ?
N20 C26 N18 C22 114.4(11) . . . . ?
C21 C26 N18 C22 3.2(13) . . . . ?
N20 C26 N18 C28 -76.0(14) . . . . ?
C21 C26 N18 C28 172.8(10) . . . . ?
O51 C22 N19 C21 -178.2(12) . . . . ?
N18 C22 N19 C21 2.0(14) . . . . ?
O51 C22 N19 C18 -8.1(19) . . . . ?
N18 C22 N19 C18 172.1(10) . . . . ?
N21 C21 N19 C22 -112.4(11) . . . . ?
C26 C21 N19 C22 0.0(12) . . . . ?
N21 C21 N19 C18 77.8(14) . . . . ?
C26 C21 N19 C18 -169.8(10) . . . . ?
N22 C18 N19 C22 106.2(13) . . . . ?
N22 C18 N19 C21 -85.0(14) . . . . ?
O50 C23 N20 C27 -1.3(17) . . . . ?
N21 C23 N20 C27 176.0(9) . . . . ?
O50 C23 N20 C26 -179.3(10) . . . . ?
N21 C23 N20 C26 -2.1(12) . . . . ?
N15 C27 N20 C23 96.9(12) . . . . ?
N15 C27 N20 C26 -85.3(12) . . . . ?
N18 C26 N20 C23 -110.0(10) . . . . ?
C21 C26 N20 C23 1.7(11) . . . . ?
N18 C26 N20 C27 72.0(13) . . . . ?
C21 C26 N20 C27 -176.3(9) . . . . ?
O50 C23 N21 C17 6.5(15) . . . . ?
N20 C23 N21 C17 -170.8(9) . . . . ?
O50 C23 N21 C21 178.8(10) . . . . ?
N20 C23 N21 C21 1.5(11) . . . . ?
N6 C17 N21 C23 -105.8(11) . . . . ?
N6 C17 N21 C21 82.9(12) . . . . ?
N19 C21 N21 C23 112.5(10) . . . . ?
C26 C21 N21 C23 -0.4(11) . . . . ?
N19 C21 N21 C17 -75.5(13) . . . . ?
C26 C21 N21 C17 171.6(8) . . . . ?
O53 C13 N22 C15 176.5(11) . . . . ?
N23 C13 N22 C15 -0.9(12) . . . . ?
O53 C13 N22 C18 10.2(18) . . . . ?
N23 C13 N22 C18 -167.2(9) . . . . ?
N6 C15 N22 C13 112.3(10) . . . . ?
C11 C15 N22 C13 1.2(11) . . . . ?
N6 C15 N22 C18 -81.3(12) . . . . ?
C11 C15 N22 C18 167.5(8) . . . . ?
N19 C18 N22 C13 -109.5(12) . . . . ?
N19 C18 N22 C15 85.5(13) . . . . ?
O53 C13 N23 C25 -2.6(19) . . . 2_766 ?
N22 C13 N23 C25 174.7(9) . . . 2_766 ?
O53 C13 N23 C11 -177.1(11) . . . . ?
N22 C13 N23 C11 0.2(13) . . . . ?
N5 C11 N23 C13 -112.3(11) . . . . ?
C15 C11 N23 C13 0.4(11) . . . . ?
N5 C11 N23 C25 73.2(13) . . . 2_766 ?
C15 C11 N23 C25 -174.0(9) . . . 2_766 ?
O43 Ge6 O3 V8 55.1(5) . . . . ?
O32 Ge6 O3 V8 -69.8(5) . . . . ?
O42 Ge6 O3 V8 171.9(4) . . . . ?
O43 Ge6 O3 V12 -105.3(5) . . . . ?
O32 Ge6 O3 V12 129.8(5) . . . . ?
O42 Ge6 O3 V12 11.5(6) . . . . ?
O45 Ge5 O5 V11 -65.8(6) . . . . ?
O36 Ge5 O5 V11 56.7(5) . . . . ?
O34 Ge5 O5 V11 173.8(4) . . . . ?
O45 Ge5 O5 Cd1 119.2(4) . . . . ?
O36 Ge5 O5 Cd1 -118.3(4) . . . . ?
O34 Ge5 O5 Cd1 -1.1(5) . . . . ?
O21 Ge2 O7 V6 72.5(5) . . . . ?
O25 Ge2 O7 V6 -56.6(5) . . . . ?
O26 Ge2 O7 V6 -171.9(4) . . . . ?
O21 Ge2 O7 V5 -132.8(5) . . . . ?
O25 Ge2 O7 V5 98.2(5) . . . . ?
O26 Ge2 O7 V5 -17.1(6) . . . . ?
O24 Ge3 O11 V9 -105.1(5) . . . . ?
O23 Ge3 O11 V9 129.7(5) . . . . ?
O44 Ge3 O11 V9 14.5(6) . . . . ?
O24 Ge3 O11 V8 52.2(5) . . . . ?
O23 Ge3 O11 V8 -73.0(5) . . . . ?
O44 Ge3 O11 V8 171.8(4) . . . . ?
O31 Ge4 O13 V10 -57.3(5) . . . . ?
O30 Ge4 O13 V10 71.6(5) . . . . ?
O44 Ge4 O13 V10 -173.1(4) . . . . ?
O31 Ge4 O13 V9 102.3(6) . . . . ?
O30 Ge4 O13 V9 -128.8(5) . . . . ?
O44 Ge4 O13 V9 -13.5(6) . . . . ?
O41 Ge8 O17 V4 52.7(5) . . . . ?
O35 Ge8 O17 V4 -76.9(5) . . . . ?
O34 Ge8 O17 V4 170.5(4) . . . . ?
O41 Ge8 O17 V3 -104.4(6) . . . . ?
O35 Ge8 O17 V3 125.9(5) . . . . ?
O34 Ge8 O17 V3 13.3(6) . . . . ?
O28 Ge1 O19 V4 57.2(5) . . . . ?
O27 Ge1 O19 V4 -70.5(5) . . . . ?
O26 Ge1 O19 V4 175.5(4) . . . . ?
O28 Ge1 O19 V5 -107.4(6) . . . . ?
O27 Ge1 O19 V5 124.9(6) . . . . ?
O26 Ge1 O19 V5 10.9(6) . . . . ?
O10 V1 O22 Cd4 -47.8(12) . . . . ?
O25 V1 O22 Cd4 130.0(11) . . . . ?
O9 V1 O22 Cd4 -136.9(11) . . . . ?
O24 V1 O22 Cd4 45.2(12) . . . . ?
V12 V1 O22 Cd4 -92.4(11) . . . . ?
O23 Ge3 O24 V1 78.5(5) . . . . ?
O11 Ge3 O24 V1 -48.8(6) . . . . ?
O44 Ge3 O24 V1 -166.9(4) . . . . ?
O23 Ge3 O24 Cd2 -115.7(4) . . . . ?
O11 Ge3 O24 Cd2 117.0(4) . . . . ?
O44 Ge3 O24 Cd2 -1.1(5) . . . . ?
O21 Ge2 O25 V1 -67.1(5) . . . . ?
O7 Ge2 O25 V1 58.0(5) . . . . ?
O26 Ge2 O25 V1 172.1(4) . . . . ?
O21 Ge2 O25 Cd2 115.4(5) . . . . ?
O7 Ge2 O25 Cd2 -119.5(4) . . . . ?
O26 Ge2 O25 Cd2 -5.4(5) . . . . ?
O28 Ge1 O26 Ge2 66.1(5) . . . . ?
O19 Ge1 O26 Ge2 -57.5(4) . . . . ?
O27 Ge1 O26 Ge2 -172.5(4) . . . . ?
O21 Ge2 O26 Ge1 174.2(4) . . . . ?
O25 Ge2 O26 Ge1 -61.4(5) . . . . ?
O7 Ge2 O26 Ge1 59.9(4) . . . . ?
O19 Ge1 O28 V2 -52.9(6) . . . . ?
O27 Ge1 O28 V2 72.7(5) . . . . ?
O26 Ge1 O28 V2 -169.3(4) . . . . ?
O19 Ge1 O28 Cd2 114.2(5) . . . . ?
O27 Ge1 O28 Cd2 -120.2(5) . . . . ?
O26 Ge1 O28 Cd2 -2.2(5) . . . . ?
O15 V2 O29 Cd3 -21.2(7) . . . . ?
O47 V2 O29 Cd3 -108.2(6) . . . . ?
O31 V2 O29 Cd3 156.3(5) . . . . ?
O28 V2 O29 Cd3 72.3(7) . . . . ?
V3 V2 O29 Cd3 -64.5(6) . . . . ?
O30 Ge4 O31 V2 -71.0(6) . . . . ?
O13 Ge4 O31 V2 54.4(5) . . . . ?
O44 Ge4 O31 V2 168.8(4) . . . . ?
O30 Ge4 O31 Cd2 119.8(4) . . . . ?
O13 Ge4 O31 Cd2 -114.9(4) . . . . ?
O44 Ge4 O31 Cd2 -0.4(5) . . . . ?
O41 Ge8 O34 Ge5 65.7(5) . . . . ?
O17 Ge8 O34 Ge5 -54.9(5) . . . . ?
O35 Ge8 O34 Ge5 -169.5(4) . . . . ?
O5 Ge5 O34 Ge8 -65.5(5) . . . . ?
O45 Ge5 O34 Ge8 169.6(4) . . . . ?
O36 Ge5 O34 Ge8 56.3(5) . . . . ?
O5 Ge5 O36 V3 101.6(6) . . . . ?
O45 Ge5 O36 V3 -130.6(5) . . . . ?
O34 Ge5 O36 V3 -15.7(6) . . . . ?
O5 Ge5 O36 V10 -58.5(5) . . . . ?
O45 Ge5 O36 V10 69.3(5) . . . . ?
O34 Ge5 O36 V10 -175.7(4) . . . . ?
O2 Ge7 O39 V6 69.7(5) . . . . ?
O40 Ge7 O39 V6 -56.7(5) . . . . ?
O42 Ge7 O39 V6 -174.9(4) . . . . ?
O2 Ge7 O39 V12 -133.1(5) . . . . ?
O40 Ge7 O39 V12 100.5(5) . . . . ?
O42 Ge7 O39 V12 -17.7(6) . . . . ?
O2 Ge7 O40 V7 -65.9(6) . . . . ?
O39 Ge7 O40 V7 55.9(5) . . . . ?
O42 Ge7 O40 V7 173.3(4) . . . . ?
O2 Ge7 O40 Cd1 120.0(4) . . . . ?
O39 Ge7 O40 Cd1 -118.2(4) . . . . ?
O42 Ge7 O40 Cd1 -0.8(5) . . . . ?
O17 Ge8 O41 V7 -52.1(6) . . . . ?
O35 Ge8 O41 V7 73.3(6) . . . . ?
O34 Ge8 O41 V7 -168.7(4) . . . . ?
O17 Ge8 O41 Cd1 116.6(4) . . . . ?
O35 Ge8 O41 Cd1 -118.0(4) . . . . ?
O34 Ge8 O41 Cd1 0.0(5) . . . . ?
O2 Ge7 O42 Ge6 170.1(4) . . . . ?
O40 Ge7 O42 Ge6 -65.6(5) . . . . ?
O39 Ge7 O42 Ge6 56.7(5) . . . . ?
O43 Ge6 O42 Ge7 65.1(5) . . . . ?
O32 Ge6 O42 Ge7 -174.4(4) . . . . ?
O3 Ge6 O42 Ge7 -54.0(5) . . . . ?
O32 Ge6 O43 V11 73.4(6) . . . . ?
O3 Ge6 O43 V11 -51.9(6) . . . . ?
O42 Ge6 O43 V11 -167.6(5) . . . . ?
O32 Ge6 O43 Cd1 -118.2(4) . . . . ?
O3 Ge6 O43 Cd1 116.5(4) . . . . ?
O42 Ge6 O43 Cd1 0.8(5) . . . . ?
O24 Ge3 O44 Ge4 66.7(5) . . . . ?
O23 Ge3 O44 Ge4 -177.0(4) . . . . ?
O11 Ge3 O44 Ge4 -57.4(5) . . . . ?
O31 Ge4 O44 Ge3 -65.1(5) . . . . ?
O30 Ge4 O44 Ge3 171.0(4) . . . . ?
O13 Ge4 O44 Ge3 56.4(5) . . . . ?
N6 C10 O49 Cd3 -46.7(16) . . . . ?
N5 C10 O49 Cd3 134.6(10) . . . . ?
N20 C23 O50 Cd3 -131.8(10) . . . . ?
N21 C23 O50 Cd3 51.4(15) . . . . ?

_refine_diff_density_max         2.573
_refine_diff_density_min         -1.964
_refine_diff_density_rms         0.203

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1403848'
_audit_update_record             
;
2016-01-27 deposited with the CCDC.
2016-02-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H98 Cd4 Ge8 N34 O67 V12'
_chemical_formula_weight         3841.18

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   15.524(5)
_cell_length_b                   19.795(5)
_cell_length_c                   36.902(5)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 94.457(5)
_cell_angle_gamma                90.000(5)
_cell_volume                     11306(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    32176
_cell_measurement_theta_min      1.727
_cell_measurement_theta_max      24.999

_exptl_crystal_description       24.999
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.257
_exptl_crystal_F_000             7488
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    3.878
_shelx_estimated_absorpt_T_min   0.432
_shelx_estimated_absorpt_T_max   0.483
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.378
_exptl_absorpt_correction_T_max  0.427
_exptl_absorpt_process_details   'SADABS 2014/4 Bruker AXS Madison WI USA'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart Apex II CCD'
_diffrn_measurement_method       ω-2θ
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32176
_diffrn_reflns_av_unetI/netI     0.0663
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         1.727
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.972
_reflns_number_total             9937
_reflns_number_gt                7072
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;

_computing_data_collection       'Bruker APEX 2'
_computing_cell_refinement       'Bruker SAINT v8.34a'
_computing_data_reduction        'Bruker SAINT v8.34a'
_computing_structure_solution    'Bruker SHELXTL 2014/4'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL & local programs'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1136P)²+440.6374P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9937
_refine_ls_number_parameters     839
_refine_ls_number_restraints     127
_refine_ls_R_factor_all          0.0991
_refine_ls_R_factor_gt           0.0675
_refine_ls_wR_factor_ref         0.2158
_refine_ls_wR_factor_gt          0.1914
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Cd1 Cd 0.0000 -0.11700(5) 0.7500 0.0169(3) Uani 1 2 d S T P . .
Cd2 Cd 0.0000 -0.57094(6) 0.7500 0.0231(3) Uani 1 2 d DS T P . .
Cd3 Cd -0.01744(10) -0.14990(7) 0.91809(4) 0.0595(4) Uani 1 1 d D . . . .
V1 V -0.23326(12) -0.34464(9) 0.78652(5) 0.0177(4) Uani 1 1 d . . . . .
V2 V -0.09031(13) -0.34888(9) 0.84618(5) 0.0175(4) Uani 1 1 d . . . . .
V3 V 0.10408(12) -0.34418(9) 0.84899(5) 0.0167(4) Uani 1 1 d . . . . .
V4 V 0.24267(12) -0.34082(9) 0.79537(5) 0.0172(4) Uani 1 1 d . . . . .
V5 V -0.06416(13) -0.21450(9) 0.82092(5) 0.0178(4) Uani 1 1 d . . . . .
V6 V -0.17671(12) -0.47430(9) 0.71599(5) 0.0160(4) Uani 1 1 d . . . . .
Ge1 Ge -0.15959(8) -0.49718(6) 0.80415(3) 0.0181(3) Uani 1 1 d . . . . .
Ge2 Ge 0.02224(8) -0.49870(6) 0.83981(3) 0.0186(3) Uani 1 1 d . . . . .
Ge3 Ge 0.14483(8) -0.19178(6) 0.82018(3) 0.0176(3) Uani 1 1 d . . . . .
Ge4 Ge 0.21346(7) -0.19230(6) 0.74545(3) 0.0177(3) Uani 1 1 d . . . . .
C1 C 0.0383(10) 0.0381(7) 0.7388(6) 0.054(5) Uani 1 1 d . . . . .
H1A H 0.0192 0.0373 0.7131 0.064 Uiso 1 1 calc R U . . .
H1B H 0.0724 0.0786 0.7437 0.064 Uiso 1 1 calc R U . . .
C2A C 0.006(3) -0.7245(14) 0.7369(9) 0.051(5) Uani 0.5 1 d D U P A 1
H2AA H -0.0474 -0.7385 0.7235 0.061 Uiso 0.5 1 calc R U P A 1
H2AB H 0.0475 -0.7602 0.7339 0.061 Uiso 0.5 1 calc R U P A 1
C2B C 0.018(3) -0.7278(14) 0.7247(10) 0.054(5) Uani 0.5 1 d D U P B 2
H2BA H 0.0799 -0.7294 0.7241 0.064 Uiso 0.5 1 calc R U P B 2
H2BB H -0.0083 -0.7650 0.7106 0.064 Uiso 0.5 1 calc R U P B 2
C3 C -0.1812(9) -0.0495(6) 0.9143(3) 0.032(3) Uani 1 1 d . . . . .
C4 C -0.2807(8) 0.0345(6) 0.9277(3) 0.026(3) Uani 1 1 d . . . . .
H4 H -0.3404 0.0371 0.9171 0.032 Uiso 1 1 calc R U . . .
C5 C -0.2175(8) 0.0626(6) 0.9019(3) 0.026(3) Uani 1 1 d . . . . .
H5 H -0.2463 0.0786 0.8790 0.031 Uiso 1 1 calc R U . . .
C6 C -0.2091(9) 0.1246(8) 0.9565(4) 0.039(3) Uani 1 1 d . . . . .
C7 C -0.3223(9) 0.0703(7) 0.9897(4) 0.037(3) Uani 1 1 d . . . . .
H7A H -0.3811 0.0604 0.9804 0.044 Uiso 1 1 calc R U . . .
H7B H -0.3226 0.1137 1.0019 0.044 Uiso 1 1 calc R U . . .
C8 C -0.1003(9) 0.0064(7) 0.8676(3) 0.032(3) Uani 1 1 d . . . . .
H8A H -0.0905 -0.0398 0.8602 0.038 Uiso 1 1 calc R U . . .
H8B H -0.1279 0.0303 0.8469 0.038 Uiso 1 1 calc R U . . .
C9 C -0.1244(9) 0.1685(6) 0.9074(4) 0.034(3) Uani 1 1 d . . . . .
H9A H -0.1268 0.2098 0.9214 0.041 Uiso 1 1 calc R U . . .
H9B H -0.1494 0.1778 0.8830 0.041 Uiso 1 1 calc R U . . .
C10 C 0.0563(8) 0.0013(6) 0.8844(3) 0.025(3) Uani 1 1 d . . . . .
C11 C -0.0017(9) 0.1097(6) 0.8759(4) 0.030(3) Uani 1 1 d . . . . .
H11 H -0.0211 0.1286 0.8521 0.036 Uiso 1 1 calc R U . . .
C12 C 0.0968(9) 0.1148(7) 0.8841(3) 0.032(3) Uani 1 1 d . . . . .
H12 H 0.1240 0.1373 0.8643 0.039 Uiso 1 1 calc R U . . .
C13 C 0.0322(9) 0.1742(7) 0.9283(4) 0.033(3) Uani 1 1 d . . . . .
C14 C 0.2122(8) 0.0235(7) 0.8931(4) 0.032(3) Uani 1 1 d . . . . .
H14A H 0.2472 0.0530 0.8792 0.039 Uiso 1 1 calc R U . . .
H14B H 0.2169 -0.0218 0.8835 0.039 Uiso 1 1 calc R U . . .
C15 C 0.1894(9) 0.1792(7) 0.9332(4) 0.037(3) Uani 1 1 d . . . . .
H15A H 0.2268 0.1883 0.9139 0.044 Uiso 1 1 calc R U . . .
H15B H 0.1793 0.2217 0.9453 0.044 Uiso 1 1 calc R U . . .
C16 C 0.2490(9) -0.0334(7) 0.9518(3) 0.032(3) Uani 1 1 d . . . . .
C17 C 0.2895(9) 0.0795(7) 0.9491(3) 0.031(3) Uani 1 1 d . . . . .
H17 H 0.3362 0.0967 0.9352 0.037 Uiso 1 1 calc R U . . .
C18 C 0.3255(9) 0.0498(6) 0.9858(3) 0.029(3) Uani 1 1 d . . . . .
H18 H 0.3887 0.0516 0.9889 0.034 Uiso 1 1 calc R U . . .
C19 C 0.2315(10) 0.1412(7) 0.9954(4) 0.038(3) Uani 1 1 d . . . . .
C20 C 0.3019(10) 0.0878(7) 1.0510(4) 0.039(3) Uani 1 1 d . . . . .
H20A H 0.3631 0.0798 1.0567 0.047 Uiso 1 1 calc R U . . .
H20B H 0.2876 0.1307 1.0617 0.047 Uiso 1 1 calc R U . . .
C21 C 0.0878(13) -0.2494(8) 0.9627(5) 0.075(6) Uani 1 1 d D U . . .
C22 C -0.0015(16) -0.2928(10) 0.9526(6) 0.083(7) Uani 1 1 d . . . . .
H22A H 0.0062 -0.3235 0.9326 0.100 Uiso 1 1 calc R U . . .
H22B H -0.0166 -0.3189 0.9734 0.100 Uiso 1 1 calc R U . . .
C23A C 0.005(4) -0.015(2) 0.9818(16) 0.079(10) Uani 0.5 1 d D U P C 1
H23A H -0.0451 0.0018 0.9670 0.095 Uiso 0.5 1 calc R U P C 1
H23B H 0.0541 0.0083 0.9732 0.095 Uiso 0.5 1 calc R U P C 1
C23B C -0.027(3) -0.021(2) 0.9829(17) 0.082(10) Uani 0.5 1 d D U P D 2
H23C H -0.0868 -0.0218 0.9883 0.098 Uiso 0.5 1 calc R U P D 2
H23D H -0.0235 0.0061 0.9614 0.098 Uiso 0.5 1 calc R U P D 2
N1 N 0.0911(7) -0.0223(5) 0.7484(4) 0.042(3) Uani 1 1 d . . . . .
H1C H 0.1197 -0.0166 0.7700 0.050 Uiso 1 1 calc R U . . .
H1D H 0.1294 -0.0287 0.7320 0.050 Uiso 1 1 calc R U . . .
N2A N 0.037(2) -0.6655(8) 0.7181(7) 0.054(5) Uani 0.5 1 d D U P A 1
H2AC H 0.0120 -0.6638 0.6955 0.064 Uiso 0.5 1 calc R U P A 1
H2AD H 0.0935 -0.6676 0.7171 0.064 Uiso 0.5 1 calc R U P A 1
N2B N -0.017(2) -0.6634(9) 0.7124(6) 0.054(5) Uani 0.5 1 d D U P B 2
H2BC H -0.0738 -0.6689 0.7070 0.065 Uiso 0.5 1 calc R U P B 2
H2BD H 0.0058 -0.6532 0.6918 0.065 Uiso 0.5 1 calc R U P B 2
N3 N -0.2683(8) 0.0748(5) 0.9596(3) 0.033(3) Uani 1 1 d . . . . .
N4 N -0.1744(7) 0.1175(5) 0.9235(3) 0.031(2) Uani 1 1 d . . . . .
N5 N -0.1581(6) 0.0062(5) 0.8969(3) 0.027(2) Uani 1 1 d . . . . .
N6 N -0.0180(7) 0.0379(5) 0.8781(3) 0.029(2) Uani 1 1 d . . . . .
N7 N 0.1243(7) 0.0447(5) 0.8877(3) 0.029(2) Uani 1 1 d . . . . .
N8 N -0.0332(7) 0.1481(6) 0.9058(3) 0.035(3) Uani 1 1 d . . . . .
N9 N 0.1072(7) 0.1537(5) 0.9171(3) 0.031(2) Uani 1 1 d . . . . .
N10 N 0.2475(7) 0.0239(6) 0.9312(3) 0.032(3) Uani 1 1 d . . . . .
N11 N 0.2933(8) -0.0182(6) 0.9837(3) 0.036(3) Uani 1 1 d . . . . .
N12 N 0.2331(8) 0.1340(6) 0.9589(3) 0.036(3) Uani 1 1 d . . . . .
N13 N 0.2850(8) 0.0922(6) 1.0118(3) 0.039(3) Uani 1 1 d . . . . .
N14 N -0.0696(9) -0.2432(8) 0.9423(4) 0.065(4) Uani 1 1 d . . . . .
H14C H -0.0965 -0.2321 0.9618 0.078 Uiso 1 1 calc R U . . .
H14D H -0.1082 -0.2620 0.9263 0.078 Uiso 1 1 calc R U . . .
N15A N 0.014(4) -0.084(2) 0.9695(10) 0.097(10) Uani 0.5 1 d D U P C 1
H15C H -0.0104 -0.1078 0.9865 0.116 Uiso 0.5 1 calc R U P C 1
H15D H 0.0707 -0.0914 0.9740 0.116 Uiso 0.5 1 calc R U P C 1
N15B N -0.007(4) -0.090(3) 0.9722(9) 0.097(10) Uani 0.5 1 d D U P D 2
H15E H -0.0360 -0.1155 0.9869 0.117 Uiso 0.5 1 calc R U P D 2
H15F H 0.0485 -0.0950 0.9801 0.117 Uiso 0.5 1 calc R U P D 2
N16A N 0.1074(8) -0.2095(8) 0.9321(4) 0.022(4) Uani 0.5 1 d D U P C 1
H16A H 0.1202 -0.2356 0.9136 0.026 Uiso 0.5 1 calc R U P C 1
H16B H 0.1516 -0.1818 0.9379 0.026 Uiso 0.5 1 calc R U P C 1
N16B N 0.1018(10) -0.1759(8) 0.9579(5) 0.038(4) Uani 0.5 1 d D U P C 2
H16C H 0.1512 -0.1676 0.9480 0.045 Uiso 0.5 1 calc R U P C 2
H16D H 0.1008 -0.1536 0.9788 0.045 Uiso 0.5 1 calc R U P C 2
N17 N 0.2532(8) 0.0347(6) 1.0672(3) 0.035(3) Uani 1 1 d . . . . .
O1 O 0.0678(5) -0.5128(4) 0.7996(2) 0.0219(17) Uani 1 1 d . . . . .
O2 O -0.1257(5) -0.5131(4) 0.7620(2) 0.0220(18) Uani 1 1 d . . . . .
O1W O -0.2622(12) -0.2163(10) 0.8687(5) 0.036(5) Uani 0.5 1 d . . P . .
O3 O -0.2609(5) -0.5292(4) 0.8115(2) 0.0265(19) Uani 1 1 d . . . . .
O2W O -0.1446(9) -0.6369(8) 0.8827(4) 0.087(5) Uani 1 1 d . . . . .
O4 O 0.0741(6) -0.5354(4) 0.8785(2) 0.035(2) Uani 1 1 d . . . . .
O3W O -0.055(2) -0.6481(14) 0.9523(6) 0.089(11) Uani 0.5 1 d . . P . .
O5 O 0.0105(5) -0.4133(4) 0.8490(2) 0.0233(18) Uani 1 1 d . . . . .
O4W O -0.0637(17) -0.7324(13) 0.8484(7) 0.071(7) Uani 0.5 1 d . . P . .
O6 O -0.1621(5) -0.4117(4) 0.8154(2) 0.0218(17) Uani 1 1 d . . . . .
O5W O -0.0136(12) -0.5094(14) 0.9466(6) 0.062(7) Uani 0.5 1 d . . P . .
O7 O -0.2279(5) -0.4031(4) 0.7441(2) 0.0186(16) Uani 1 1 d . . . . .
O6W O 0.0750(16) -0.6697(10) 0.8755(7) 0.061(7) Uani 0.5 1 d . . P . .
O8 O -0.3270(6) -0.3450(4) 0.8025(3) 0.035(2) Uani 1 1 d . . . . .
O9 O -0.1530(5) -0.2855(4) 0.8147(2) 0.0189(17) Uani 1 1 d . . . . .
O10 O -0.1259(6) -0.3453(4) 0.8857(2) 0.033(2) Uani 1 1 d . . . . .
O11 O 0.0042(5) -0.2872(4) 0.8428(2) 0.0216(17) Uani 1 1 d . . . . .
O12 O 0.1710(5) -0.4033(4) 0.8202(2) 0.0184(16) Uani 1 1 d . . . . .
O13 O 0.1699(5) -0.2771(4) 0.8220(2) 0.0201(17) Uani 1 1 d . . . . .
O14 O 0.3390(5) -0.3427(4) 0.8146(2) 0.032(2) Uani 1 1 d . . . . .
O15 O 0.2396(5) -0.2769(4) 0.7531(2) 0.0202(17) Uani 1 1 d . . . . .
O16 O 0.1439(6) -0.3390(4) 0.8905(2) 0.031(2) Uani 1 1 d . . . . .
O17 O -0.1116(5) -0.1768(4) 0.7747(2) 0.0208(17) Uani 1 1 d . . . . .
O18 O 0.2967(6) -0.1565(4) 0.7229(3) 0.032(2) Uani 1 1 d . . . . .
O19 O 0.2158(5) -0.1569(4) 0.7899(2) 0.0220(18) Uani 1 1 d . . . . .
O20 O 0.0417(5) -0.1730(4) 0.8040(2) 0.0200(17) Uani 1 1 d . . . . .
O21 O 0.1740(6) -0.1579(4) 0.8628(2) 0.029(2) Uani 1 1 d . . . . .
O22 O -0.0861(7) -0.1682(4) 0.8547(3) 0.046(3) Uani 1 1 d . . . . .
O23 O 0.2192(8) -0.0876(5) 0.9420(3) 0.049(3) Uani 1 1 d . . . . .
O24 O 0.0587(6) -0.0604(5) 0.8855(3) 0.038(2) Uani 1 1 d . . . . .
O25 O -0.1475(8) -0.1051(5) 0.9139(3) 0.051(3) Uani 1 1 d . . . . .
O26 O -0.1893(8) 0.1702(6) 0.9780(3) 0.062(3) Uani 1 1 d . . . . .
O27 O 0.0207(7) 0.2107(6) 0.9549(3) 0.051(3) Uani 1 1 d . . . . .
O28 O 0.1908(8) 0.1837(5) 1.0109(3) 0.052(3) Uani 1 1 d . . . . .
O29 O -0.0821(5) -0.5335(4) 0.8363(2) 0.0217(17) Uani 1 1 d . . . . .
O30 O -0.2534(5) -0.5245(4) 0.7017(2) 0.0245(18) Uani 1 1 d . . . . .


_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
Cd1 O20 2.328(8) 2_556 ?
Cd1 O20 2.328(8) . ?
Cd1 O17 2.340(7) . ?
Cd1 O17 2.341(7) 2_556 ?
Cd1 N1 2.351(11) . ?
Cd1 N1 2.351(11) 2_556 ?
Cd2 N2B 2.300(10) 2_556 ?
Cd2 N2B 2.300(10) . ?
Cd2 N2A 2.304(10) . ?
Cd2 N2A 2.305(10) 2_556 ?
Cd2 O2 2.334(8) . ?
Cd2 O2 2.334(8) 2_556 ?
Cd2 O1 2.342(8) . ?
Cd2 O1 2.342(8) 2_556 ?
Cd3 O25 2.200(11) . ?
Cd3 N14 2.231(16) . ?
Cd3 N16A 2.294(9) . ?
Cd3 N15B 2.315(10) . ?
Cd3 N15A 2.319(10) . ?
Cd3 N16B 2.329(10) . ?
Cd3 O24 2.490(10) . ?
Cd3 O22 2.520(11) . ?
V1 O8 1.612(8) . ?
V1 O9 1.950(8) . ?
V1 O7 1.954(8) . ?
V1 O15 1.980(8) 2_556 ?
V1 O6 1.983(8) . ?
V1 V2 3.003(3) . ?
V1 V4 3.015(3) 2_556 ?
V2 O10 1.602(8) . ?
V2 O11 1.920(8) . ?
V2 O9 1.922(8) . ?
V2 O6 1.971(8) . ?
V2 O5 2.015(8) . ?
V2 V5 2.858(3) . ?
V2 V3 3.013(3) . ?
V3 O16 1.611(9) . ?
V3 O11 1.918(8) . ?
V3 O12 1.937(7) . ?
V3 O13 1.988(8) . ?
V3 O5 1.995(8) . ?
V3 V4 3.035(3) . ?
V4 O14 1.605(9) . ?
V4 O7 1.908(7) 2_556 ?
V4 O12 1.941(8) . ?
V4 O13 2.001(8) . ?
V4 O15 2.007(8) . ?
V4 V6 2.853(3) 2_556 ?
V4 V1 3.015(3) 2_556 ?
V5 O22 1.605(9) . ?
V5 O11 1.927(8) . ?
V5 O17 1.953(8) . ?
V5 O9 1.971(8) . ?
V5 O20 1.981(7) . ?
V6 O30 1.608(8) . ?
V6 O12 1.944(8) 2_556 ?
V6 O7 1.955(7) . ?
V6 O2 1.972(8) . ?
V6 O1 1.980(8) 2_556 ?
V6 V4 2.853(3) 2_556 ?
Ge1 O2 1.710(8) . ?
Ge1 O3 1.736(8) . ?
Ge1 O6 1.743(8) . ?
Ge1 O29 1.774(8) . ?
Ge2 O1 1.715(8) . ?
Ge2 O5 1.737(8) . ?
Ge2 O4 1.742(9) . ?
Ge2 O29 1.756(8) . ?
Ge3 O20 1.706(8) . ?
Ge3 O13 1.734(7) . ?
Ge3 O21 1.738(8) . ?
Ge3 O19 1.770(8) . ?
Ge4 O17 1.722(8) 2_556 ?
Ge4 O15 1.741(7) . ?
Ge4 O18 1.741(8) . ?
Ge4 O19 1.780(8) . ?
C1 N1 1.477(17) . ?
C1 C1 1.50(3) 2_556 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2A C2A 1.00(6) 2_556 ?
C2A N2A 1.458(10) . ?
C2A H2AA 0.9700 . ?
C2A H2AB 0.9700 . ?
C2B N2B 1.447(10) . ?
C2B C2B 1.98(7) 2_556 ?
C2B H2BA 0.9700 . ?
C2B H2BB 0.9700 . ?
C3 O25 1.220(15) . ?
C3 N5 1.338(17) . ?
C3 N17 1.386(17) 5_557 ?
C4 N3 1.423(16) . ?
C4 N17 1.442(16) 5_557 ?
C4 C5 1.524(17) . ?
C4 H4 0.9800 . ?
C5 N5 1.470(15) . ?
C5 N4 1.476(16) . ?
C5 H5 0.9800 . ?
C6 O26 1.227(18) . ?
C6 N3 1.358(19) . ?
C6 N4 1.376(17) . ?
C7 N3 1.446(17) . ?
C7 N11 1.468(17) 5_557 ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N6 1.447(17) . ?
C8 N5 1.458(16) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 N4 1.430(17) . ?
C9 N8 1.478(17) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 O24 1.223(15) . ?
C10 N7 1.359(17) . ?
C10 N6 1.367(15) . ?
C11 N6 1.447(16) . ?
C11 N8 1.455(16) . ?
C11 C12 1.539(19) . ?
C11 H11 0.9800 . ?
C12 N9 1.439(17) . ?
C12 N7 1.454(16) . ?
C12 H12 0.9800 . ?
C13 O27 1.240(17) . ?
C13 N9 1.330(17) . ?
C13 N8 1.364(18) . ?
C14 N7 1.426(16) . ?
C14 N10 1.468(17) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 N12 1.435(18) . ?
C15 N9 1.455(18) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 O23 1.211(17) . ?
C16 N11 1.352(17) . ?
C16 N10 1.366(17) . ?
C17 N10 1.417(17) . ?
C17 N12 1.453(17) . ?
C17 C18 1.542(18) . ?
C17 H17 0.9800 . ?
C18 N11 1.435(17) . ?
C18 N13 1.453(16) . ?
C18 H18 0.9800 . ?
C19 O28 1.222(17) . ?
C19 N12 1.356(18) . ?
C19 N13 1.385(18) . ?
C20 N17 1.450(17) . ?
C20 N13 1.454(18) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 N16A 1.430(10) . ?
C21 C22 1.65(3) . ?
C21 N16B 1.483(10) . ?
C22 N14 1.47(2) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23A N15A 1.459(10) . ?
C23A C23A 1.48(10) 5_557 ?
C23A H23A 0.9700 . ?
C23A H23B 0.9700 . ?
C23B N15B 1.456(10) . ?
C23B C23B 1.68(11) 5_557 ?
C23B H23C 0.9700 . ?
C23B H23D 0.9700 . ?
N1 H1C 0.8900 . ?
N1 H1D 0.8900 . ?
N2A H2AC 0.8900 . ?
N2A H2AD 0.8900 . ?
N2B H2BC 0.8900 . ?
N2B H2BD 0.8900 . ?
N11 C7 1.468(17) 5_557 ?
N14 H14C 0.8900 . ?
N14 H14D 0.8900 . ?
N15A H15C 0.8900 . ?
N15A H15D 0.8900 . ?
N15B H15E 0.8900 . ?
N15B H15F 0.8900 . ?
N16A H16A 0.8900 . ?
N16A H16B 0.8900 . ?
N16B H16C 0.8900 . ?
N16B H16D 0.8900 . ?
N17 C3 1.386(17) 5_557 ?
N17 C4 1.442(16) 5_557 ?
O1 V6 1.980(8) 2_556 ?
O7 V4 1.908(7) 2_556 ?
O12 V6 1.944(8) 2_556 ?
O15 V1 1.980(8) 2_556 ?
O17 Ge4 1.722(8) 2_556 ?

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
O20 Cd1 O20 123.1(4) 2_556 . ?
O20 Cd1 O17 85.8(3) 2_556 . ?
O20 Cd1 O17 65.9(3) . . ?
O20 Cd1 O17 65.9(3) 2_556 2_556 ?
O20 Cd1 O17 85.8(3) . 2_556 ?
O17 Cd1 O17 119.3(4) . 2_556 ?
O20 Cd1 N1 119.1(4) 2_556 . ?
O20 Cd1 N1 105.9(4) . . ?
O17 Cd1 N1 151.4(4) . . ?
O17 Cd1 N1 85.9(3) 2_556 . ?
O20 Cd1 N1 105.9(4) 2_556 2_556 ?
O20 Cd1 N1 119.1(4) . 2_556 ?
O17 Cd1 N1 85.9(3) . 2_556 ?
O17 Cd1 N1 151.4(4) 2_556 2_556 ?
N1 Cd1 N1 74.3(5) . 2_556 ?
N2B Cd2 N2B 74.6(13) 2_556 . ?
N2A Cd2 N2A 71.4(12) . 2_556 ?
N2B Cd2 O2 109.6(8) 2_556 . ?
N2B Cd2 O2 116.3(8) . . ?
N2A Cd2 O2 137.5(8) . . ?
N2A Cd2 O2 93.4(7) 2_556 . ?
N2B Cd2 O2 116.4(8) 2_556 2_556 ?
N2B Cd2 O2 109.6(8) . 2_556 ?
N2A Cd2 O2 93.4(7) . 2_556 ?
N2A Cd2 O2 137.5(8) 2_556 2_556 ?
O2 Cd2 O2 121.3(4) . 2_556 ?
N2B Cd2 O1 84.0(7) 2_556 . ?
N2B Cd2 O1 152.6(7) . . ?
N2A Cd2 O1 133.2(8) . . ?
N2A Cd2 O1 96.5(7) 2_556 . ?
O2 Cd2 O1 86.7(3) . . ?
O2 Cd2 O1 64.9(3) 2_556 . ?
N2B Cd2 O1 152.6(7) 2_556 2_556 ?
N2B Cd2 O1 84.0(7) . 2_556 ?
N2A Cd2 O1 96.5(7) . 2_556 ?
N2A Cd2 O1 133.2(8) 2_556 2_556 ?
O2 Cd2 O1 64.9(3) . 2_556 ?
O2 Cd2 O1 86.7(3) 2_556 2_556 ?
O1 Cd2 O1 121.1(4) . 2_556 ?
O25 Cd3 N14 90.1(5) . . ?
O25 Cd3 N16A 168.0(5) . . ?
N14 Cd3 N16A 79.1(6) . . ?
O25 Cd3 N15B 81.9(16) . . ?
N14 Cd3 N15B 94.7(16) . . ?
O25 Cd3 N15A 88.2(16) . . ?
N14 Cd3 N15A 101.4(16) . . ?
N16A Cd3 N15A 88.9(16) . . ?
O25 Cd3 N16B 144.5(6) . . ?
N14 Cd3 N16B 81.9(6) . . ?
N15B Cd3 N16B 64.5(16) . . ?
O25 Cd3 O24 98.4(3) . . ?
N14 Cd3 O24 169.4(4) . . ?
N16A Cd3 O24 92.9(5) . . ?
N15B Cd3 O24 92.7(16) . . ?
N15A Cd3 O24 85.3(16) . . ?
N16B Cd3 O24 94.5(5) . . ?
O25 Cd3 O22 70.9(4) . . ?
N14 Cd3 O22 96.4(5) . . ?
N16A Cd3 O22 115.1(5) . . ?
N15B Cd3 O22 150.5(15) . . ?
N15A Cd3 O22 152.5(15) . . ?
N16B Cd3 O22 144.2(6) . . ?
O24 Cd3 O22 80.6(3) . . ?
O8 V1 O9 111.4(4) . . ?
O8 V1 O7 112.7(4) . . ?
O9 V1 O7 135.9(3) . . ?
O8 V1 O15 106.1(4) . 2_556 ?
O9 V1 O15 88.9(3) . 2_556 ?
O7 V1 O15 79.2(3) . 2_556 ?
O8 V1 O6 106.4(4) . . ?
O9 V1 O6 79.0(3) . . ?
O7 V1 O6 88.7(3) . . ?
O15 V1 O6 147.5(3) 2_556 . ?
O8 V1 V2 111.6(4) . . ?
O9 V1 V2 38.8(2) . . ?
O7 V1 V2 119.7(2) . . ?
O15 V1 V2 123.5(2) 2_556 . ?
O6 V1 V2 40.4(2) . . ?
O8 V1 V4 113.1(4) . 2_556 ?
O9 V1 V4 119.9(2) . 2_556 ?
O7 V1 V4 38.1(2) . 2_556 ?
O15 V1 V4 41.2(2) 2_556 2_556 ?
O6 V1 V4 122.4(2) . 2_556 ?
V2 V1 V4 135.31(8) . 2_556 ?
O10 V2 O11 110.4(4) . . ?
O10 V2 O9 109.1(4) . . ?
O11 V2 O9 84.2(3) . . ?
O10 V2 O6 109.5(4) . . ?
O11 V2 O6 139.9(3) . . ?
O9 V2 O6 80.0(3) . . ?
O10 V2 O5 107.6(4) . . ?
O11 V2 O5 79.2(3) . . ?
O9 V2 O5 143.1(3) . . ?
O6 V2 O5 91.9(3) . . ?
O10 V2 V5 108.9(3) . . ?
O11 V2 V5 42.1(2) . . ?
O9 V2 V5 43.4(2) . . ?
O6 V2 V5 119.2(2) . . ?
O5 V2 V5 118.4(2) . . ?
O10 V2 V1 112.3(4) . . ?
O11 V2 V1 117.4(2) . . ?
O9 V2 V1 39.5(2) . . ?
O6 V2 V1 40.7(2) . . ?
O5 V2 V1 125.6(2) . . ?
V5 V2 V1 81.40(7) . . ?
O10 V2 V3 112.5(4) . . ?
O11 V2 V3 38.2(2) . . ?
O9 V2 V3 117.4(2) . . ?
O6 V2 V3 124.0(2) . . ?
O5 V2 V3 41.1(2) . . ?
V5 V2 V3 79.35(7) . . ?
V1 V2 V3 134.87(8) . . ?
O16 V3 O11 108.8(4) . . ?
O16 V3 O12 112.3(4) . . ?
O11 V3 O12 138.9(3) . . ?
O16 V3 O13 105.0(4) . . ?
O11 V3 O13 89.4(3) . . ?
O12 V3 O13 79.1(3) . . ?
O16 V3 O5 105.6(4) . . ?
O11 V3 O5 79.7(3) . . ?
O12 V3 O5 90.4(3) . . ?
O13 V3 O5 149.3(3) . . ?
O16 V3 V2 110.1(3) . . ?
O11 V3 V2 38.3(2) . . ?
O12 V3 V2 122.7(2) . . ?
O13 V3 V2 123.8(2) . . ?
O5 V3 V2 41.5(2) . . ?
O16 V3 V4 112.3(3) . . ?
O11 V3 V4 121.2(2) . . ?
O12 V3 V4 38.5(2) . . ?
O13 V3 V4 40.6(2) . . ?
O5 V3 V4 124.6(2) . . ?
V2 V3 V4 137.48(8) . . ?
O14 V4 O7 112.0(4) . 2_556 ?
O14 V4 O12 109.0(4) . . ?
O7 V4 O12 84.8(3) 2_556 . ?
O14 V4 O13 109.8(4) . . ?
O7 V4 O13 138.0(3) 2_556 . ?
O12 V4 O13 78.7(3) . . ?
O14 V4 O15 108.9(4) . . ?
O7 V4 O15 79.6(3) 2_556 . ?
O12 V4 O15 142.1(3) . . ?
O13 V4 O15 90.3(3) . . ?
O14 V4 V6 110.8(3) . 2_556 ?
O7 V4 V6 43.0(2) 2_556 2_556 ?
O12 V4 V6 42.8(2) . 2_556 ?
O13 V4 V6 116.5(2) . 2_556 ?
O15 V4 V6 118.9(2) . 2_556 ?
O14 V4 V1 114.5(3) . 2_556 ?
O7 V4 V1 39.2(2) 2_556 2_556 ?
O12 V4 V1 118.1(2) . 2_556 ?
O13 V4 V1 121.5(2) . 2_556 ?
O15 V4 V1 40.5(2) . 2_556 ?
V6 V4 V1 80.83(7) 2_556 2_556 ?
O14 V4 V3 113.2(3) . . ?
O7 V4 V3 115.7(2) 2_556 . ?
O12 V4 V3 38.5(2) . . ?
O13 V4 V3 40.3(2) . . ?
O15 V4 V3 123.1(2) . . ?
V6 V4 V3 79.10(7) 2_556 . ?
V1 V4 V3 132.17(8) 2_556 . ?
O22 V5 O11 104.1(5) . . ?
O22 V5 O17 111.8(5) . . ?
O11 V5 O17 144.1(3) . . ?
O22 V5 O9 108.0(4) . . ?
O11 V5 O9 82.8(3) . . ?
O17 V5 O9 87.6(3) . . ?
O22 V5 O20 103.8(4) . . ?
O11 V5 O20 89.9(3) . . ?
O17 V5 O20 80.3(3) . . ?
O9 V5 O20 148.2(3) . . ?
O22 V5 V2 103.6(3) . . ?
O11 V5 V2 41.9(2) . . ?
O17 V5 V2 126.0(2) . . ?
O9 V5 V2 42.1(2) . . ?
O20 V5 V2 129.1(2) . . ?
O30 V6 O12 107.1(4) . 2_556 ?
O30 V6 O7 107.3(4) . . ?
O12 V6 O7 83.4(3) 2_556 . ?
O30 V6 O2 106.2(4) . . ?
O12 V6 O2 146.7(3) 2_556 . ?
O7 V6 O2 88.7(3) . . ?
O30 V6 O1 107.1(4) . 2_556 ?
O12 V6 O1 89.6(3) 2_556 2_556 ?
O7 V6 O1 145.4(3) . 2_556 ?
O2 V6 O1 78.8(3) . 2_556 ?
O30 V6 V4 106.0(3) . 2_556 ?
O12 V6 V4 42.7(2) 2_556 2_556 ?
O7 V6 V4 41.8(2) . 2_556 ?
O2 V6 V4 127.1(2) . 2_556 ?
O1 V6 V4 128.2(2) 2_556 2_556 ?
O2 Ge1 O3 114.9(4) . . ?
O2 Ge1 O6 114.2(4) . . ?
O3 Ge1 O6 106.3(4) . . ?
O2 Ge1 O29 107.0(4) . . ?
O3 Ge1 O29 108.9(4) . . ?
O6 Ge1 O29 105.2(4) . . ?
O1 Ge2 O5 112.6(4) . . ?
O1 Ge2 O4 116.4(4) . . ?
O5 Ge2 O4 107.2(4) . . ?
O1 Ge2 O29 108.2(4) . . ?
O5 Ge2 O29 106.6(4) . . ?
O4 Ge2 O29 105.2(4) . . ?
O20 Ge3 O13 115.3(4) . . ?
O20 Ge3 O21 113.8(4) . . ?
O13 Ge3 O21 107.4(4) . . ?
O20 Ge3 O19 107.9(4) . . ?
O13 Ge3 O19 104.8(4) . . ?
O21 Ge3 O19 106.9(4) . . ?
O17 Ge4 O15 115.9(4) 2_556 . ?
O17 Ge4 O18 114.3(4) 2_556 . ?
O15 Ge4 O18 107.3(4) . . ?
O17 Ge4 O19 106.2(4) 2_556 . ?
O15 Ge4 O19 104.0(4) . . ?
O18 Ge4 O19 108.5(4) . . ?
N1 C1 C1 108.5(13) . 2_556 ?
N1 C1 H1A 110.0 . . ?
C1 C1 H1A 110.0 2_556 . ?
N1 C1 H1B 110.0 . . ?
C1 C1 H1B 110.0 2_556 . ?
H1A C1 H1B 108.4 . . ?
C2A C2A N2A 123(2) 2_556 . ?
C2A C2A H2AA 106.5 2_556 . ?
N2A C2A H2AA 106.5 . . ?
C2A C2A H2AB 106.5 2_556 . ?
N2A C2A H2AB 106.5 . . ?
H2AA C2A H2AB 106.5 . . ?
N2B C2B C2B 100(2) . 2_556 ?
N2B C2B H2BA 111.8 . . ?
C2B C2B H2BA 111.8 2_556 . ?
N2B C2B H2BB 111.8 . . ?
C2B C2B H2BB 111.8 2_556 . ?
H2BA C2B H2BB 109.5 . . ?
O25 C3 N5 127.3(13) . . ?
O25 C3 N17 124.0(12) . 5_557 ?
N5 C3 N17 108.6(11) . 5_557 ?
N3 C4 N17 113.9(10) . 5_557 ?
N3 C4 C5 105.0(11) . . ?
N17 C4 C5 103.4(10) 5_557 . ?
N3 C4 H4 111.4 . . ?
N17 C4 H4 111.4 5_557 . ?
C5 C4 H4 111.4 . . ?
N5 C5 N4 111.4(10) . . ?
N5 C5 C4 103.9(10) . . ?
N4 C5 C4 102.7(10) . . ?
N5 C5 H5 112.7 . . ?
N4 C5 H5 112.7 . . ?
C4 C5 H5 112.7 . . ?
O26 C6 N3 128.0(13) . . ?
O26 C6 N4 123.6(14) . . ?
N3 C6 N4 108.4(12) . . ?
N3 C7 N11 112.9(11) . 5_557 ?
N3 C7 H7A 109.0 . . ?
N11 C7 H7A 109.0 5_557 . ?
N3 C7 H7B 109.0 . . ?
N11 C7 H7B 109.0 5_557 . ?
H7A C7 H7B 107.8 . . ?
N6 C8 N5 112.6(10) . . ?
N6 C8 H8A 109.1 . . ?
N5 C8 H8A 109.1 . . ?
N6 C8 H8B 109.1 . . ?
N5 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
N4 C9 N8 112.1(11) . . ?
N4 C9 H9A 109.2 . . ?
N8 C9 H9A 109.2 . . ?
N4 C9 H9B 109.2 . . ?
N8 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
O24 C10 N7 127.3(11) . . ?
O24 C10 N6 123.9(12) . . ?
N7 C10 N6 108.7(11) . . ?
N6 C11 N8 113.6(10) . . ?
N6 C11 C12 103.2(10) . . ?
N8 C11 C12 101.7(11) . . ?
N6 C11 H11 112.5 . . ?
N8 C11 H11 112.5 . . ?
C12 C11 H11 112.5 . . ?
N9 C12 N7 114.9(10) . . ?
N9 C12 C11 104.3(10) . . ?
N7 C12 C11 103.7(11) . . ?
N9 C12 H12 111.2 . . ?
N7 C12 H12 111.2 . . ?
C11 C12 H12 111.2 . . ?
O27 C13 N9 127.4(13) . . ?
O27 C13 N8 123.8(13) . . ?
N9 C13 N8 108.8(12) . . ?
N7 C14 N10 114.4(10) . . ?
N7 C14 H14A 108.7 . . ?
N10 C14 H14A 108.7 . . ?
N7 C14 H14B 108.7 . . ?
N10 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
N12 C15 N9 114.1(11) . . ?
N12 C15 H15A 108.7 . . ?
N9 C15 H15A 108.7 . . ?
N12 C15 H15B 108.7 . . ?
N9 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
O23 C16 N11 128.0(13) . . ?
O23 C16 N10 125.3(12) . . ?
N11 C16 N10 106.6(12) . . ?
N10 C17 N12 115.4(11) . . ?
N10 C17 C18 103.6(10) . . ?
N12 C17 C18 104.4(10) . . ?
N10 C17 H17 111.0 . . ?
N12 C17 H17 111.0 . . ?
C18 C17 H17 111.0 . . ?
N11 C18 N13 114.2(11) . . ?
N11 C18 C17 102.2(11) . . ?
N13 C18 C17 102.3(10) . . ?
N11 C18 H18 112.4 . . ?
N13 C18 H18 112.4 . . ?
C17 C18 H18 112.4 . . ?
O28 C19 N12 126.0(14) . . ?
O28 C19 N13 126.4(13) . . ?
N12 C19 N13 107.7(12) . . ?
N17 C20 N13 113.2(12) . . ?
N17 C20 H20A 108.9 . . ?
N13 C20 H20A 108.9 . . ?
N17 C20 H20B 108.9 . . ?
N13 C20 H20B 108.9 . . ?
H20A C20 H20B 107.8 . . ?
N16A C21 C22 109.6(15) . . ?
C22 C21 N16B 127.7(14) . . ?
N14 C22 C21 106.6(15) . . ?
N14 C22 H22A 110.4 . . ?
C21 C22 H22A 110.4 . . ?
N14 C22 H22B 110.4 . . ?
C21 C22 H22B 110.4 . . ?
H22A C22 H22B 108.6 . . ?
N15A C23A C23A 133(6) . 5_557 ?
N15A C23A H23A 104.1 . . ?
C23A C23A H23A 104.1 5_557 . ?
N15A C23A H23B 104.1 . . ?
C23A C23A H23B 104.1 5_557 . ?
H23A C23A H23B 105.5 . . ?
N15B C23B C23B 125(5) . 5_557 ?
N15B C23B H23C 106.1 . . ?
C23B C23B H23C 106.1 5_557 . ?
N15B C23B H23D 106.1 . . ?
C23B C23B H23D 106.1 5_557 . ?
H23C C23B H23D 106.3 . . ?
C1 N1 Cd1 109.2(8) . . ?
C1 N1 H1C 109.8 . . ?
Cd1 N1 H1C 109.8 . . ?
C1 N1 H1D 109.8 . . ?
Cd1 N1 H1D 109.8 . . ?
H1C N1 H1D 108.3 . . ?
C2A N2A Cd2 107.8(16) . . ?
C2A N2A H2AC 110.1 . . ?
Cd2 N2A H2AC 110.1 . . ?
C2A N2A H2AD 110.1 . . ?
Cd2 N2A H2AD 110.1 . . ?
H2AC N2A H2AD 108.5 . . ?
C2B N2B Cd2 119(2) . . ?
C2B N2B H2BC 107.5 . . ?
Cd2 N2B H2BC 107.5 . . ?
C2B N2B H2BD 107.5 . . ?
Cd2 N2B H2BD 107.5 . . ?
H2BC N2B H2BD 107.0 . . ?
C6 N3 C4 112.7(11) . . ?
C6 N3 C7 123.1(11) . . ?
C4 N3 C7 123.5(12) . . ?
C6 N4 C9 123.9(12) . . ?
C6 N4 C5 111.1(11) . . ?
C9 N4 C5 122.2(11) . . ?
C3 N5 C8 124.1(11) . . ?
C3 N5 C5 111.8(10) . . ?
C8 N5 C5 121.3(10) . . ?
C10 N6 C8 122.2(11) . . ?
C10 N6 C11 112.4(11) . . ?
C8 N6 C11 124.3(11) . . ?
C10 N7 C14 123.7(11) . . ?
C10 N7 C12 111.9(10) . . ?
C14 N7 C12 124.3(11) . . ?
C13 N8 C11 112.5(11) . . ?
C13 N8 C9 122.8(11) . . ?
C11 N8 C9 123.6(11) . . ?
C13 N9 C12 112.6(11) . . ?
C13 N9 C15 121.8(11) . . ?
C12 N9 C15 124.7(11) . . ?
C16 N10 C17 113.5(11) . . ?
C16 N10 C14 121.2(11) . . ?
C17 N10 C14 125.0(11) . . ?
C16 N11 C18 114.0(11) . . ?
C16 N11 C7 122.2(12) . 5_557 ?
C18 N11 C7 122.4(12) . 5_557 ?
C19 N12 C15 123.1(12) . . ?
C19 N12 C17 112.5(11) . . ?
C15 N12 C17 124.1(11) . . ?
C19 N13 C18 113.1(11) . . ?
C19 N13 C20 122.1(12) . . ?
C18 N13 C20 124.7(11) . . ?
C22 N14 Cd3 112.4(12) . . ?
C22 N14 H14C 109.1 . . ?
Cd3 N14 H14C 109.1 . . ?
C22 N14 H14D 109.1 . . ?
Cd3 N14 H14D 109.1 . . ?
H14C N14 H14D 107.9 . . ?
C23A N15A Cd3 140(4) . . ?
C23A N15A H15C 102.1 . . ?
Cd3 N15A H15C 102.1 . . ?
C23A N15A H15D 102.1 . . ?
Cd3 N15A H15D 102.1 . . ?
H15C N15A H15D 104.8 . . ?
C23B N15B Cd3 135(4) . . ?
C23B N15B H15E 103.4 . . ?
Cd3 N15B H15E 103.4 . . ?
C23B N15B H15F 103.4 . . ?
Cd3 N15B H15F 103.4 . . ?
H15E N15B H15F 105.2 . . ?
C21 N16A Cd3 103.6(9) . . ?
C21 N16A H16A 111.1 . . ?
Cd3 N16A H16A 111.0 . . ?
C21 N16A H16B 111.0 . . ?
Cd3 N16A H16B 111.0 . . ?
H16A N16A H16B 109.0 . . ?
C21 N16B Cd3 100.2(9) . . ?
C21 N16B H16C 111.7 . . ?
Cd3 N16B H16C 111.7 . . ?
C21 N16B H16D 111.7 . . ?
Cd3 N16B H16D 111.7 . . ?
H16C N16B H16D 109.5 . . ?
C3 N17 C4 112.2(10) 5_557 5_557 ?
C3 N17 C20 121.1(11) 5_557 . ?
C4 N17 C20 125.7(11) 5_557 . ?
Ge2 O1 V6 127.4(4) . 2_556 ?
Ge2 O1 Cd2 124.4(4) . . ?
V6 O1 Cd2 107.7(3) 2_556 . ?
Ge1 O2 V6 125.4(4) . . ?
Ge1 O2 Cd2 125.7(4) . . ?
V6 O2 Cd2 108.3(3) . . ?
Ge2 O5 V3 125.4(4) . . ?
Ge2 O5 V2 134.3(4) . . ?
V3 O5 V2 97.4(3) . . ?
Ge1 O6 V2 136.6(5) . . ?
Ge1 O6 V1 123.0(4) . . ?
V2 O6 V1 98.8(3) . . ?
V4 O7 V6 95.2(3) 2_556 . ?
V4 O7 V1 102.6(3) 2_556 . ?
V6 O7 V1 153.7(5) . . ?
V2 O9 V1 101.7(3) . . ?
V2 O9 V5 94.5(3) . . ?
V1 O9 V5 154.5(4) . . ?
V3 O11 V2 103.5(4) . . ?
V3 O11 V5 154.5(5) . . ?
V2 O11 V5 96.0(4) . . ?
V3 O12 V4 103.0(3) . . ?
V3 O12 V6 150.3(4) . 2_556 ?
V4 O12 V6 94.5(3) . 2_556 ?
Ge3 O13 V3 123.2(4) . . ?
Ge3 O13 V4 136.7(4) . . ?
V3 O13 V4 99.1(3) . . ?
Ge4 O15 V1 122.3(4) . 2_556 ?
Ge4 O15 V4 136.3(4) . . ?
V1 O15 V4 98.3(3) 2_556 . ?
Ge4 O17 V5 125.5(4) 2_556 . ?
Ge4 O17 Cd1 127.2(4) 2_556 . ?
V5 O17 Cd1 107.0(3) . . ?
Ge3 O19 Ge4 117.4(4) . . ?
Ge3 O20 V5 125.3(4) . . ?
Ge3 O20 Cd1 126.5(4) . . ?
V5 O20 Cd1 106.6(3) . . ?
V5 O22 Cd3 134.6(6) . . ?
C10 O24 Cd3 135.5(8) . . ?
C3 O25 Cd3 139.0(11) . . ?
Ge2 O29 Ge1 117.7(4) . . ?

_refine_diff_density_max         2.096
_refine_diff_density_min         -4.711
_refine_diff_density_rms         0.263

_shelxl_version_number           2014-3

