# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1552111'
_audit_update_record             
;
2017-05-24 deposited with the CCDC.
2017-06-08 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT307_shelx_1             
;
PROBLEM:  Isolated Metal Atom found in Structure (Unusual)       Sb4A Check 
RESPONSE: One of the two crystallographically non-equivalent metal-oxide 
clusters is probably disordered. The occupancy of the major position was
 estimated at 95%, of the minor position only the metal atoms were 
included in the refinement with occupancies of 6%, lighter atom 
positions were impossible to locate
;

_vrf_PLAT306_shelx_1             
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) ....... O1w Check
RESPONSE: The hydrogens of the water molecule was not added.
;


_vrf_PLAT430_shelx_1             
;
PROBLEM: Short Inter D...A Contact O3 .. O4w .. 2.72 Ang.
RESPONSE:  There should be a strong hydrogen 
bond between the two atoms.
;

_vrf_PLAT910_shelx_1             
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)  17 Note
RESPONSE: Theta min for the data collection was 3.229. Reflections below 
that value are excluded.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C69.60 H60.50 Co2 N12 O48.25 Sb8 V14'
_chemical_formula_weight         3642.02

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'
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'
Sb Sb -0.5866 1.5461 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_H-M_alt        'I 41/a'
_space_group_name_Hall           '-I 4ad'

_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+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   19.81131(15)
_cell_length_b                   19.81131(15)
_cell_length_c                   56.5195(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     22183.2(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9501
_cell_measurement_theta_min      3.3930
_cell_measurement_theta_max      28.1180

_exptl_crystal_description       diamond
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.181
_exptl_crystal_F_000             13857
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    3.405
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.56889
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25893
_diffrn_reflns_av_unetI/netI     0.0478
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -70
_diffrn_reflns_limit_l_max       67
_diffrn_reflns_theta_min         2.921
_diffrn_reflns_theta_max         29.097
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.849
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.849
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.849
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             12639
_reflns_number_gt                9324
_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.

 [Co(phen)2.4(2,2-bpy)0.6]2+ in compound 1 consists of a cobalt ion, 
 2.4 phen and 0.6 2,2-bpy ligands, indicating that the site of one 
 cation ligand is disorderly occupied by 0.4 Phen and 0.6 2,2ï?1/2ï?1/2-bpy.
;

_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0730P)²+295.3080P] 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         12639
_refine_ls_number_parameters     753
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0839
_refine_ls_R_factor_gt           0.0566
_refine_ls_wR_factor_ref         0.1712
_refine_ls_wR_factor_gt          0.1454
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_restrained_S_all      1.095
_refine_ls_shift/su_max          0.024
_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
Sb2 Sb 0.37536(3) 0.88274(3) 0.56857(2) 0.03304(13) Uani 1 1 d . . . . .
Sb1 Sb 0.32059(2) 0.71353(3) 0.56844(2) 0.03349(14) Uani 1 1 d . . . . .
Sb4 Sb 0.43289(3) 0.46332(3) 0.90664(2) 0.03631(15) Uani 0.94 1 d . . P A 1
Sb4A Sb 0.4235(5) 0.4739(5) 0.89104(19) 0.03631(15) Uani 0.06 1 d . U P B 2
Sb3 Sb 0.43078(3) 0.46473(3) 0.84402(2) 0.03713(15) Uani 0.94 1 d . . P A 1
Co1 Co 0.24887(6) 0.48614(6) 0.74629(2) 0.0415(3) Uani 1 1 d . . . . .
V4 V 0.5000 0.7500 0.55665(3) 0.0270(3) Uani 1 2 d S T P . .
V8 V 0.58927(6) 0.42527(6) 0.87454(2) 0.0283(3) Uani 1 1 d . . . A 1
V3 V 0.36435(6) 0.79448(6) 0.67019(2) 0.0293(3) Uani 1 1 d . . . . .
V2 V 0.30894(6) 0.81069(7) 0.62496(2) 0.0312(3) Uani 1 1 d . . . . .
V7 V 0.5000 0.2500 0.80381(3) 0.0305(4) Uani 1 2 d S T P A 1
V1 V 0.32387(6) 0.65899(7) 0.62536(2) 0.0308(3) Uani 1 1 d . . . . .
V6 V 0.38038(7) 0.31200(7) 0.82482(2) 0.0284(3) Uani 0.94 1 d . . P A 1
V6A V 0.3310(9) 0.2754(9) 0.8164(3) 0.019(3) Uani 0.06 1 d . U P C 2
V5 V 0.56117(7) 0.36998(7) 0.82434(2) 0.0287(3) Uani 0.94 1 d . . P A 1
V5A V 0.6090(9) 0.3666(9) 0.8109(3) 0.018(3) Uani 0.06 1 d . U P D 2
O22 O 0.4714(2) 0.3384(2) 0.81613(9) 0.0290(10) Uani 1 1 d . . . A 1
O11 O 0.4630(2) 0.8366(3) 0.56767(9) 0.0327(11) Uani 1 1 d . . . . .
O10 O 0.3259(3) 0.7362(3) 0.64616(9) 0.0314(11) Uani 1 1 d . . . . .
O21 O 0.5883(3) 0.2785(3) 0.81622(9) 0.0311(11) Uani 1 1 d . . . A 1
O9 O 0.3585(3) 0.8675(3) 0.60191(9) 0.0357(12) Uani 1 1 d . . . . .
O8 O 0.4190(2) 0.7023(3) 0.56812(9) 0.0331(11) Uani 1 1 d . . . . .
O7 O 0.3645(3) 0.8638(3) 0.64624(9) 0.0330(11) Uani 1 1 d . . . . .
O6 O 0.3233(3) 0.8060(3) 0.55703(9) 0.0366(12) Uani 1 1 d . . . . .
O5 O 0.5000 0.7500 0.52835(13) 0.0376(18) Uani 1 2 d S T P . .
O4 O 0.3135(3) 0.7346(3) 0.60207(9) 0.0363(12) Uani 1 1 d . . . . .
O20 O 0.5199(3) 0.4234(3) 0.89943(9) 0.0364(12) Uani 1 1 d . . . A 1
O19 O 0.5193(3) 0.4241(3) 0.84986(10) 0.0380(12) Uani 1 1 d . . . A 1
O18 O 0.3804(3) 0.3816(3) 0.90031(9) 0.0350(12) Uani 1 1 d . . . A 1
O17 O 0.3810(3) 0.3816(3) 0.85040(10) 0.0368(12) Uani 1 1 d . . . A 1
O16 O 0.6234(3) 0.4986(3) 0.87400(10) 0.0409(13) Uani 1 1 d . . . A 1
O3 O 0.2321(3) 0.8349(3) 0.62763(10) 0.0445(14) Uani 1 1 d . . . . .
O15 O 0.5000 0.2500 0.77518(13) 0.0428(19) Uani 1 2 d S T P A 1
O2 O 0.3077(3) 0.8139(3) 0.68913(10) 0.0429(14) Uani 1 1 d . . . . .
O14 O 0.4193(3) 0.5043(3) 0.87548(11) 0.0488(15) Uani 1 1 d . . . A 1
O13 O 0.3304(3) 0.3370(3) 0.80475(10) 0.0461(14) Uani 1 1 d . . . A 1
O12 O 0.5856(3) 0.4205(3) 0.80396(11) 0.0470(15) Uani 1 1 d . . . A 1
O1 O 0.2518(3) 0.6227(3) 0.62689(10) 0.0467(15) Uani 1 1 d . . . . .
N2 N 0.2658(4) 0.4756(4) 0.70876(12) 0.0414(16) Uani 1 1 d . . . . .
N1 N 0.3469(4) 0.4410(4) 0.74493(13) 0.0430(16) Uani 1 1 d . . . . .
N3 N 0.2030(4) 0.3909(4) 0.75186(12) 0.0461(18) Uani 1 1 d . . . . .
N6 N 0.1602(4) 0.5442(4) 0.74025(14) 0.0519(19) Uani 1 1 d . . . . .
N4 N 0.2369(4) 0.4860(4) 0.78342(13) 0.0462(17) Uani 1 1 d . . . . .
N5 N 0.2867(4) 0.5865(4) 0.74363(12) 0.0453(17) Uani 1 1 d . . . . .
C9 C 0.2455(6) 0.4899(5) 0.66720(16) 0.055(3) Uani 1 1 d . . . . .
H9 H 0.2168 0.5051 0.6553 0.066 Uiso 1 1 calc R U . . .
C16 C 0.2085(4) 0.4278(5) 0.79177(15) 0.044(2) Uani 1 1 d . . . . .
C5 C 0.3704(4) 0.4303(4) 0.72280(15) 0.0404(18) Uani 1 1 d . . . . .
C6 C 0.3263(4) 0.4488(4) 0.70329(14) 0.0383(18) Uani 1 1 d . . . . .
C8 C 0.3061(5) 0.4625(5) 0.66162(15) 0.049(2) Uani 1 1 d . . . . .
H8 H 0.3194 0.4584 0.6459 0.059 Uiso 1 1 calc R U . . .
C10 C 0.2261(5) 0.4952(4) 0.69118(15) 0.046(2) Uani 1 1 d . . . . .
H10 H 0.1839 0.5130 0.6948 0.055 Uiso 1 1 calc R U . . .
C20 C 0.2532(5) 0.5336(5) 0.79887(17) 0.055(2) Uani 1 1 d . . . . .
H20 H 0.2715 0.5737 0.7931 0.066 Uiso 1 1 calc R U . . .
C15 C 0.1914(4) 0.3770(5) 0.77476(16) 0.0429(19) Uani 1 1 d . . . . .
C14 C 0.1634(5) 0.3149(5) 0.78244(19) 0.057(3) Uani 1 1 d . . . . .
C7 C 0.3491(5) 0.4403(5) 0.68015(16) 0.050(2) Uani 1 1 d . . . . .
C21 C 0.3505(5) 0.6072(5) 0.74668(17) 0.054(2) Uani 1 1 d . . . . .
H21 H 0.3811 0.5769 0.7532 0.065 Uiso 1 1 calc R U . . .
C17 C 0.1972(5) 0.4172(5) 0.81620(16) 0.054(3) Uani 1 1 d . . . . .
C4 C 0.4344(5) 0.4013(4) 0.71831(17) 0.048(2) Uani 1 1 d . . . . .
C19 C 0.2444(7) 0.5270(6) 0.82324(18) 0.073(4) Uani 1 1 d . . . . .
H19 H 0.2579 0.5611 0.8335 0.088 Uiso 1 1 calc R U . . .
C25 C 0.2413(5) 0.6312(5) 0.73526(14) 0.049(2) Uani 1 1 d . . . . .
C11 C 0.1872(6) 0.3437(5) 0.73557(19) 0.060(3) Uani 1 1 d . . . . .
H11 H 0.1954 0.3533 0.7197 0.072 Uiso 1 1 calc R U . . .
C12 C 0.1589(6) 0.2811(6) 0.7414(2) 0.069(3) Uani 1 1 d . . . . .
H12 H 0.1483 0.2495 0.7298 0.083 Uiso 1 1 calc R U . . .
C24 C 0.2623(7) 0.6973(5) 0.72845(16) 0.062(3) Uani 1 1 d . . . . .
H24 H 0.2315 0.7275 0.7219 0.074 Uiso 0.6 1 d R U P E 1
C18 C 0.2150(5) 0.4684(6) 0.83175(17) 0.061(3) Uani 1 1 d . . . . .
H18 H 0.2073 0.4633 0.8479 0.074 Uiso 1 1 calc R U . . .
C101 C 0.4543(6) 0.3911(6) 0.6948(2) 0.066(3) Uani 1 1 d . . . . .
H101 H 0.4961 0.3718 0.6917 0.080 Uiso 1 1 calc R U . . .
C1 C 0.3858(6) 0.4246(5) 0.76329(18) 0.056(2) Uani 1 1 d . . . . .
H1 H 0.3702 0.4325 0.7786 0.067 Uiso 1 1 calc R U . . .
C26 C 0.1714(5) 0.6090(5) 0.73425(17) 0.052(2) Uani 1 1 d . . . . .
C22 C 0.3733(6) 0.6697(6) 0.74088(17) 0.064(3) Uani 1 1 d . . . . .
H22 H 0.4183 0.6813 0.7431 0.077 Uiso 1 1 calc R U . . .
C13 C 0.1475(6) 0.2685(6) 0.7649(2) 0.074(3) Uani 1 1 d . . . . .
H13 H 0.1285 0.2274 0.7693 0.089 Uiso 1 1 calc R U . . .
C102 C 0.4132(7) 0.4092(6) 0.6764(2) 0.069(3) Uani 1 1 d . . . . .
H102 H 0.4275 0.4010 0.6609 0.083 Uiso 1 1 calc R U . . .
C2 C 0.4504(6) 0.3955(5) 0.7600(2) 0.067(3) Uani 1 1 d . . . . .
H2 H 0.4768 0.3845 0.7730 0.080 Uiso 1 1 calc R U . . .
C3 C 0.4741(6) 0.3835(5) 0.7377(2) 0.063(3) Uani 1 1 d . . . . .
H3 H 0.5162 0.3638 0.7355 0.076 Uiso 1 1 calc R U . . .
C23 C 0.3280(7) 0.7153(6) 0.73164(18) 0.069(3) Uani 1 1 d . . . . .
H23 H 0.3423 0.7585 0.7276 0.082 Uiso 1 1 calc R U . . .
C30 C 0.0972(6) 0.5211(7) 0.7404(2) 0.075(3) Uani 1 1 d . . . . .
H30 H 0.0892 0.4770 0.7454 0.090 Uiso 1 1 calc R U . . .
C103 C 0.1507(6) 0.3054(7) 0.8070(2) 0.080(4) Uani 1 1 d . . . . .
H103 H 0.1310 0.2654 0.8122 0.096 Uiso 1 1 calc R U . . .
C104 C 0.1665(6) 0.3525(7) 0.8224(2) 0.075(4) Uani 1 1 d . . . . .
H104 H 0.1576 0.3441 0.8383 0.091 Uiso 1 1 calc R U . . .
C27 C 0.1195(6) 0.6503(7) 0.7277(3) 0.089(4) Uani 1 1 d . . . . .
H27 H 0.1282 0.6949 0.7235 0.106 Uiso 0.6 1 d R U P F 1
C29 C 0.0416(7) 0.5617(8) 0.7332(4) 0.118(7) Uani 1 1 d . . . . .
H29 H -0.0019 0.5441 0.7328 0.141 Uiso 1 1 calc R U . . .
C28 C 0.0532(7) 0.6256(8) 0.7271(4) 0.116(6) Uani 1 1 d . . . . .
H28 H 0.0178 0.6535 0.7225 0.139 Uiso 1 1 calc R U . . .
O1W O 0.5000 0.7500 0.6250 0.205(16) Uani 1 4 d S T P . .
O2W O 0.5000 0.2500 0.8750 0.194(15) Uani 1 4 d S T P . .
O3W O 0.5398(12) 0.5743(11) 0.8314(6) 0.316(17) Uani 1 1 d . . . . .
C106 C 0.1359(18) 0.7106(18) 0.7166(7) 0.091(11) Uani 0.4 1 d . . P G 2
H106 H 0.1023 0.7347 0.7089 0.109 Uiso 0.4 1 d R U P G 2
C105 C 0.1974(17) 0.7358(16) 0.7172(5) 0.073(8) Uani 0.4 1 d . . P G 2
H105 H 0.2044 0.7782 0.7106 0.087 Uiso 0.4 1 d R U P G 2
O7W O 0.4789(18) 0.6403(11) 0.8804(6) 0.173(14) Uani 0.5 1 d . . P . .
O6W O 0.424(2) 0.623(3) 0.8039(8) 0.31(3) Uani 0.5 1 d . . P . .
O5W O 0.5000 0.2500 0.6583(10) 0.24(7) Uani 0.25 2 d S T P . .
O4WB O 0.1169(18) 0.790(3) 0.6474(12) 0.39(4) Uani 0.5 1 d . . P H 2
O4WA O 0.1674(13) 0.789(2) 0.6897(8) 0.26(3) Uani 0.5 1 d . . P I 1


_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
Sb2 O9 1.938(5) . ?
Sb2 O6 1.950(6) . ?
Sb2 O11 1.962(5) . ?
Sb1 O6 1.942(6) . ?
Sb1 O4 1.951(5) . ?
Sb1 O8 1.962(5) . ?
Sb4 O20 1.940(5) . ?
Sb4 O18 1.957(5) . ?
Sb4 O14 1.958(6) . ?
Sb3 O17 1.953(5) . ?
Sb3 O14 1.956(6) . ?
Sb3 O19 1.957(5) . ?
Co1 N4 2.112(7) . ?
Co1 N3 2.118(7) . ?
Co1 N6 2.128(8) . ?
Co1 N5 2.129(7) . ?
Co1 N1 2.140(8) . ?
Co1 N2 2.158(7) . ?
V4 O5 1.599(8) . ?
V4 O11 1.968(5) . ?
V4 O11 1.968(5) 6_564 ?
V4 O8 1.972(5) 6_564 ?
V4 O8 1.972(5) . ?
V4 V3 3.1167(15) 15_566 ?
V4 V3 3.1167(15) 12_767 ?
V8 O16 1.603(6) . ?
V8 O20 1.967(5) . ?
V8 O19 1.967(5) . ?
V8 O18 1.973(5) 11_667 ?
V8 O17 1.988(5) 11_667 ?
V8 V5 3.0920(18) . ?
V8 V6 3.1143(17) 11_667 ?
V3 O2 1.597(5) . ?
V3 O7 1.928(5) . ?
V3 O10 1.938(5) . ?
V3 O8 1.999(5) 15_566 ?
V3 O11 2.006(5) 12_767 ?
V3 V2 2.8006(17) . ?
V3 V4 3.1165(15) 15_566 ?
V2 O3 1.603(6) . ?
V2 O10 1.931(5) . ?
V2 O7 1.940(5) . ?
V2 O9 1.982(5) . ?
V2 O4 1.988(5) . ?
V2 V1 3.0198(19) . ?
V2 V1 3.0267(19) 15_566 ?
V7 O15 1.618(8) . ?
V7 O21 1.968(5) 6_554 ?
V7 O21 1.968(5) . ?
V7 O22 1.968(5) 6_554 ?
V7 O22 1.968(5) . ?
V7 V5 2.9095(15) . ?
V7 V5 2.9095(15) 6_554 ?
V7 V6 2.9215(15) . ?
V7 V6 2.9216(15) 6_554 ?
V1 O1 1.601(6) . ?
V1 O10 1.930(5) . ?
V1 O7 1.947(5) 12_767 ?
V1 O9 2.000(6) 12_767 ?
V1 O4 2.005(6) . ?
V1 V2 3.0267(19) 12_767 ?
V6 O13 1.585(6) . ?
V6 O22 1.941(5) . ?
V6 O21 1.958(5) 6_554 ?
V6 O20 1.987(5) 16_657 ?
V6 O17 1.999(6) . ?
V6 V8 3.1144(17) 16_657 ?
V6A V5A 3.07(2) 6_554 ?
V5 O12 1.602(6) . ?
V5 O22 1.942(5) . ?
V5 O21 1.946(5) . ?
V5 O19 1.979(6) . ?
V5 O18 2.000(5) 11_667 ?
V5A V6A 3.07(2) 6_554 ?
O11 V3 2.006(5) 15_566 ?
O21 V6 1.958(5) 6_554 ?
O9 V1 2.000(6) 15_566 ?
O8 V3 1.999(5) 12_767 ?
O7 V1 1.947(5) 15_566 ?
O20 V6 1.987(5) 11_667 ?
O18 V8 1.973(5) 16_657 ?
O18 V5 2.000(5) 16_657 ?
O17 V8 1.988(5) 16_657 ?
N2 C10 1.325(11) . ?
N2 C6 1.348(11) . ?
N1 C1 1.332(12) . ?
N1 C5 1.351(11) . ?
N3 C15 1.343(11) . ?
N3 C11 1.349(12) . ?
N6 C30 1.329(13) . ?
N6 C26 1.347(13) . ?
N4 C20 1.326(12) . ?
N4 C16 1.367(11) . ?
N5 C21 1.340(12) . ?
N5 C25 1.348(12) . ?
C9 C8 1.355(15) . ?
C9 C10 1.413(13) . ?
C9 H9 0.9300 . ?
C16 C17 1.414(11) . ?
C16 C15 1.432(13) . ?
C5 C4 1.415(13) . ?
C5 C6 1.453(12) . ?
C6 C7 1.394(12) . ?
C8 C7 1.420(14) . ?
C8 H8 0.9300 . ?
C10 H10 0.9300 . ?
C20 C19 1.395(14) . ?
C20 H20 0.9300 . ?
C15 C14 1.419(13) . ?
C14 C13 1.387(16) . ?
C14 C103 1.424(16) . ?
C7 C102 1.427(16) . ?
C21 C22 1.357(14) . ?
C21 H21 0.9300 . ?
C17 C18 1.387(16) . ?
C17 C104 1.462(17) . ?
C4 C3 1.395(14) . ?
C4 C101 1.398(15) . ?
C19 C18 1.386(17) . ?
C19 H19 0.9300 . ?
C25 C24 1.426(14) . ?
C25 C26 1.454(14) . ?
C11 C12 1.400(14) . ?
C11 H11 0.9300 . ?
C12 C13 1.372(17) . ?
C12 H12 0.9300 . ?
C24 C23 1.363(17) . ?
C24 C105 1.62(3) . ?
C24 H24 0.9301 . ?
C18 H18 0.9300 . ?
C101 C102 1.373(17) . ?
C101 H101 0.9300 . ?
C1 C2 1.416(15) . ?
C1 H1 0.9300 . ?
C26 C27 1.367(15) . ?
C22 C23 1.377(17) . ?
C22 H22 0.9300 . ?
C13 H13 0.9300 . ?
C102 H102 0.9300 . ?
C2 C3 1.364(16) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C23 H23 0.9300 . ?
C30 C29 1.424(19) . ?
C30 H30 0.9300 . ?
C103 C104 1.315(18) . ?
C103 H103 0.9300 . ?
C104 H104 0.9300 . ?
C27 C106 1.39(4) . ?
C27 C28 1.402(19) . ?
C27 H27 0.9299 . ?
C29 C28 1.33(2) . ?
C29 H29 0.9300 . ?
C28 H28 0.9300 . ?
C106 C105 1.32(4) . ?
C106 H106 0.9300 . ?
C105 H105 0.9302 . ?

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
O9 Sb2 O6 96.5(2) . . ?
O9 Sb2 O11 96.0(2) . . ?
O6 Sb2 O11 95.5(2) . . ?
O6 Sb1 O4 97.1(2) . . ?
O6 Sb1 O8 94.4(2) . . ?
O4 Sb1 O8 96.0(2) . . ?
O20 Sb4 O18 95.5(2) . . ?
O20 Sb4 O14 95.9(2) . . ?
O18 Sb4 O14 96.1(3) . . ?
O17 Sb3 O14 96.4(2) . . ?
O17 Sb3 O19 94.3(2) . . ?
O14 Sb3 O19 96.7(2) . . ?
N4 Co1 N3 78.6(3) . . ?
N4 Co1 N6 93.9(3) . . ?
N3 Co1 N6 98.7(3) . . ?
N4 Co1 N5 96.4(3) . . ?
N3 Co1 N5 173.3(3) . . ?
N6 Co1 N5 77.0(3) . . ?
N4 Co1 N1 97.9(3) . . ?
N3 Co1 N1 91.3(3) . . ?
N6 Co1 N1 165.9(3) . . ?
N5 Co1 N1 93.9(3) . . ?
N4 Co1 N2 173.8(3) . . ?
N3 Co1 N2 97.3(3) . . ?
N6 Co1 N2 91.3(3) . . ?
N5 Co1 N2 88.0(3) . . ?
N1 Co1 N2 77.5(3) . . ?
O5 V4 O11 108.46(16) . . ?
O5 V4 O11 108.46(16) . 6_564 ?
O11 V4 O11 143.1(3) . 6_564 ?
O5 V4 O8 109.19(16) . 6_564 ?
O11 V4 O8 77.4(2) . 6_564 ?
O11 V4 O8 90.6(2) 6_564 6_564 ?
O5 V4 O8 109.20(16) . . ?
O11 V4 O8 90.6(2) . . ?
O11 V4 O8 77.4(2) 6_564 . ?
O8 V4 O8 141.6(3) 6_564 . ?
O5 V4 V3 114.84(4) . 15_566 ?
O11 V4 V3 38.77(15) . 15_566 ?
O11 V4 V3 120.91(16) 6_564 15_566 ?
O8 V4 V3 38.61(15) 6_564 15_566 ?
O8 V4 V3 120.34(16) . 15_566 ?
O5 V4 V3 114.84(4) . 12_767 ?
O11 V4 V3 120.91(16) . 12_767 ?
O11 V4 V3 38.77(15) 6_564 12_767 ?
O8 V4 V3 120.35(16) 6_564 12_767 ?
O8 V4 V3 38.61(15) . 12_767 ?
V3 V4 V3 130.32(7) 15_566 12_767 ?
O16 V8 O20 109.0(3) . . ?
O16 V8 O19 107.1(3) . . ?
O20 V8 O19 90.8(2) . . ?
O16 V8 O18 108.3(3) . 11_667 ?
O20 V8 O18 142.7(2) . 11_667 ?
O19 V8 O18 77.8(2) . 11_667 ?
O16 V8 O17 110.1(3) . 11_667 ?
O20 V8 O17 77.0(2) . 11_667 ?
O19 V8 O17 142.8(2) . 11_667 ?
O18 V8 O17 90.8(2) 11_667 11_667 ?
O16 V8 V5 112.3(2) . . ?
O20 V8 V5 121.59(17) . . ?
O19 V8 V5 38.56(16) . . ?
O18 V8 V5 39.20(16) 11_667 . ?
O17 V8 V5 122.07(17) 11_667 . ?
O16 V8 V6 114.3(2) . 11_667 ?
O20 V8 V6 38.27(16) . 11_667 ?
O19 V8 V6 121.69(17) . 11_667 ?
O18 V8 V6 122.00(17) 11_667 11_667 ?
O17 V8 V6 38.75(16) 11_667 11_667 ?
V5 V8 V6 133.36(5) . 11_667 ?
O2 V3 O7 107.5(3) . . ?
O2 V3 O10 109.7(3) . . ?
O7 V3 O10 86.1(2) . . ?
O2 V3 O8 107.7(3) . 15_566 ?
O7 V3 O8 88.4(2) . 15_566 ?
O10 V3 O8 142.2(2) . 15_566 ?
O2 V3 O11 107.7(3) . 12_767 ?
O7 V3 O11 144.3(2) . 12_767 ?
O10 V3 O11 87.1(2) . 12_767 ?
O8 V3 O11 75.9(2) 15_566 12_767 ?
O2 V3 V2 108.0(2) . . ?
O7 V3 V2 43.79(16) . . ?
O10 V3 V2 43.51(15) . . ?
O8 V3 V2 127.00(16) 15_566 . ?
O11 V3 V2 126.46(15) 12_767 . ?
O2 V3 V4 113.1(2) . 15_566 ?
O7 V3 V4 119.64(16) . 15_566 ?
O10 V3 V4 117.68(16) . 15_566 ?
O8 V3 V4 38.00(15) 15_566 15_566 ?
O11 V3 V4 37.92(14) 12_767 15_566 ?
V2 V3 V4 138.92(6) . 15_566 ?
O3 V2 O10 109.6(3) . . ?
O3 V2 O7 108.6(3) . . ?
O10 V2 O7 86.0(2) . . ?
O3 V2 O9 111.2(3) . . ?
O10 V2 O9 139.1(2) . . ?
O7 V2 O9 79.5(2) . . ?
O3 V2 O4 109.4(3) . . ?
O10 V2 O4 79.4(2) . . ?
O7 V2 O4 142.0(2) . . ?
O9 V2 O4 88.9(2) . . ?
O3 V2 V3 108.7(2) . . ?
O10 V2 V3 43.74(15) . . ?
O7 V2 V3 43.44(15) . . ?
O9 V2 V3 118.10(17) . . ?
O4 V2 V3 119.29(17) . . ?
O3 V2 V1 113.0(2) . . ?
O10 V2 V1 38.52(15) . . ?
O7 V2 V1 118.62(16) . . ?
O9 V2 V1 121.45(17) . . ?
O4 V2 V1 41.08(16) . . ?
V3 V2 V1 80.83(5) . . ?
O3 V2 V1 113.3(2) . 15_566 ?
O10 V2 V1 117.86(16) . 15_566 ?
O7 V2 V1 38.96(15) . 15_566 ?
O9 V2 V1 40.75(16) . 15_566 ?
O4 V2 V1 122.61(16) . 15_566 ?
V3 V2 V1 80.52(5) . 15_566 ?
V1 V2 V1 133.46(6) . 15_566 ?
O15 V7 O21 110.90(15) . 6_554 ?
O15 V7 O21 110.90(15) . . ?
O21 V7 O21 138.2(3) 6_554 . ?
O15 V7 O22 110.72(15) . 6_554 ?
O21 V7 O22 82.8(2) 6_554 6_554 ?
O21 V7 O22 82.7(2) . 6_554 ?
O15 V7 O22 110.72(15) . . ?
O21 V7 O22 82.7(2) 6_554 . ?
O21 V7 O22 82.8(2) . . ?
O22 V7 O22 138.6(3) 6_554 . ?
O15 V7 V5 113.51(4) . . ?
O21 V7 V5 117.53(15) 6_554 . ?
O21 V7 V5 41.69(15) . . ?
O22 V7 V5 117.77(15) 6_554 . ?
O22 V7 V5 41.57(14) . . ?
O15 V7 V5 113.51(4) . 6_554 ?
O21 V7 V5 41.69(15) 6_554 6_554 ?
O21 V7 V5 117.53(15) . 6_554 ?
O22 V7 V5 41.57(14) 6_554 6_554 ?
O22 V7 V5 117.77(15) . 6_554 ?
V5 V7 V5 132.98(8) . 6_554 ?
O15 V7 V6 113.98(4) . . ?
O21 V7 V6 41.78(15) 6_554 . ?
O21 V7 V6 117.12(16) . . ?
O22 V7 V6 117.64(15) 6_554 . ?
O22 V7 V6 41.27(14) . . ?
V5 V7 V6 80.34(4) . . ?
V5 V7 V6 81.00(4) 6_554 . ?
O15 V7 V6 113.99(4) . 6_554 ?
O21 V7 V6 117.11(16) 6_554 6_554 ?
O21 V7 V6 41.78(15) . 6_554 ?
O22 V7 V6 41.28(14) 6_554 6_554 ?
O22 V7 V6 117.64(15) . 6_554 ?
V5 V7 V6 81.00(4) . 6_554 ?
V5 V7 V6 80.34(4) 6_554 6_554 ?
V6 V7 V6 132.03(8) . 6_554 ?
O1 V1 O10 110.0(3) . . ?
O1 V1 O7 113.4(3) . 12_767 ?
O10 V1 O7 136.6(2) . 12_767 ?
O1 V1 O9 105.0(3) . 12_767 ?
O10 V1 O9 89.6(2) . 12_767 ?
O7 V1 O9 78.9(2) 12_767 12_767 ?
O1 V1 O4 106.2(3) . . ?
O10 V1 O4 79.0(2) . . ?
O7 V1 O4 89.5(2) 12_767 . ?
O9 V1 O4 148.8(2) 12_767 . ?
O1 V1 V2 111.1(3) . . ?
O10 V1 V2 38.54(15) . . ?
O7 V1 V2 120.50(16) 12_767 . ?
O9 V1 V2 124.03(16) 12_767 . ?
O4 V1 V2 40.66(15) . . ?
O1 V1 V2 112.4(3) . 12_767 ?
O10 V1 V2 120.46(16) . 12_767 ?
O7 V1 V2 38.79(15) 12_767 12_767 ?
O9 V1 V2 40.31(15) 12_767 12_767 ?
O4 V1 V2 124.24(16) . 12_767 ?
V2 V1 V2 136.53(6) . 12_767 ?
O13 V6 O22 108.4(3) . . ?
O13 V6 O21 107.9(3) . 6_554 ?
O22 V6 O21 83.7(2) . 6_554 ?
O13 V6 O20 108.7(3) . 16_657 ?
O22 V6 O20 142.8(2) . 16_657 ?
O21 V6 O20 88.1(2) 6_554 16_657 ?
O13 V6 O17 107.8(3) . . ?
O22 V6 O17 89.5(2) . . ?
O21 V6 O17 144.1(2) 6_554 . ?
O20 V6 O17 76.3(2) 16_657 . ?
O13 V6 V7 110.3(2) . . ?
O22 V6 V7 41.99(15) . . ?
O21 V6 V7 42.03(15) 6_554 . ?
O20 V6 V7 123.80(17) 16_657 . ?
O17 V6 V7 125.41(17) . . ?
O13 V6 V8 112.5(2) . 16_657 ?
O22 V6 V8 120.99(16) . 16_657 ?
O21 V6 V8 119.93(16) 6_554 16_657 ?
O20 V6 V8 37.80(16) 16_657 16_657 ?
O17 V6 V8 38.51(16) . 16_657 ?
V7 V6 V8 137.20(6) . 16_657 ?
O12 V5 O22 107.9(3) . . ?
O12 V5 O21 109.2(3) . . ?
O22 V5 O21 84.1(2) . . ?
O12 V5 O19 108.2(3) . . ?
O22 V5 O19 88.0(2) . . ?
O21 V5 O19 142.4(2) . . ?
O12 V5 O18 107.9(3) . 11_667 ?
O22 V5 O18 144.0(2) . 11_667 ?
O21 V5 O18 88.4(2) . 11_667 ?
O19 V5 O18 76.9(2) . 11_667 ?
O12 V5 V7 110.5(2) . . ?
O22 V5 V7 42.26(15) . . ?
O21 V5 V7 42.26(15) . . ?
O19 V5 V7 123.96(17) . . ?
O18 V5 V7 124.96(16) 11_667 . ?
O12 V5 V8 112.6(2) . . ?
O22 V5 V8 119.90(15) . . ?
O21 V5 V8 119.78(15) . . ?
O19 V5 V8 38.28(16) . . ?
O18 V5 V8 38.59(15) 11_667 . ?
V7 V5 V8 136.93(6) . . ?
V6 O22 V5 151.3(3) . . ?
V6 O22 V7 96.7(2) . . ?
V5 O22 V7 96.2(2) . . ?
Sb2 O11 V4 138.1(3) . . ?
Sb2 O11 V3 118.6(3) . 15_566 ?
V4 O11 V3 103.3(2) . 15_566 ?
V1 O10 V2 102.9(2) . . ?
V1 O10 V3 155.1(3) . . ?
V2 O10 V3 92.7(2) . . ?
V5 O21 V6 151.9(3) . 6_554 ?
V5 O21 V7 96.0(2) . . ?
V6 O21 V7 96.2(2) 6_554 . ?
Sb2 O9 V2 144.4(3) . . ?
Sb2 O9 V1 116.6(3) . 15_566 ?
V2 O9 V1 98.9(2) . 15_566 ?
Sb1 O8 V4 139.2(3) . . ?
Sb1 O8 V3 117.1(3) . 12_767 ?
V4 O8 V3 103.4(2) . 12_767 ?
V3 O7 V2 92.8(2) . . ?
V3 O7 V1 153.2(3) . 15_566 ?
V2 O7 V1 102.3(2) . 15_566 ?
Sb1 O6 Sb2 129.7(3) . . ?
Sb1 O4 V2 143.1(3) . . ?
Sb1 O4 V1 118.2(3) . . ?
V2 O4 V1 98.3(2) . . ?
Sb4 O20 V8 139.8(3) . . ?
Sb4 O20 V6 116.0(3) . 11_667 ?
V8 O20 V6 103.9(2) . 11_667 ?
Sb3 O19 V8 138.2(3) . . ?
Sb3 O19 V5 118.4(3) . . ?
V8 O19 V5 103.2(3) . . ?
Sb4 O18 V8 141.1(3) . 16_657 ?
Sb4 O18 V5 116.6(3) . 16_657 ?
V8 O18 V5 102.2(2) 16_657 16_657 ?
Sb3 O17 V8 140.4(3) . 16_657 ?
Sb3 O17 V6 116.8(3) . . ?
V8 O17 V6 102.7(2) 16_657 . ?
Sb3 O14 Sb4 129.4(3) . . ?
C10 N2 C6 118.1(8) . . ?
C10 N2 Co1 128.1(7) . . ?
C6 N2 Co1 113.7(5) . . ?
C1 N1 C5 119.0(8) . . ?
C1 N1 Co1 126.7(7) . . ?
C5 N1 Co1 114.2(6) . . ?
C15 N3 C11 118.4(8) . . ?
C15 N3 Co1 113.5(6) . . ?
C11 N3 Co1 128.0(6) . . ?
C30 N6 C26 119.1(10) . . ?
C30 N6 Co1 126.0(8) . . ?
C26 N6 Co1 114.7(6) . . ?
C20 N4 C16 118.2(8) . . ?
C20 N4 Co1 128.8(7) . . ?
C16 N4 Co1 113.0(6) . . ?
C21 N5 C25 118.2(8) . . ?
C21 N5 Co1 127.5(7) . . ?
C25 N5 Co1 113.8(6) . . ?
C8 C9 C10 119.6(9) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
N4 C16 C17 121.8(9) . . ?
N4 C16 C15 117.3(7) . . ?
C17 C16 C15 120.9(9) . . ?
N1 C5 C4 122.5(8) . . ?
N1 C5 C6 117.2(8) . . ?
C4 C5 C6 120.3(8) . . ?
N2 C6 C7 123.4(8) . . ?
N2 C6 C5 117.4(7) . . ?
C7 C6 C5 119.2(8) . . ?
C9 C8 C7 118.9(8) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
N2 C10 C9 122.5(9) . . ?
N2 C10 H10 118.8 . . ?
C9 C10 H10 118.8 . . ?
N4 C20 C19 123.6(10) . . ?
N4 C20 H20 118.2 . . ?
C19 C20 H20 118.2 . . ?
N3 C15 C14 122.7(9) . . ?
N3 C15 C16 117.6(8) . . ?
C14 C15 C16 119.8(8) . . ?
C13 C14 C15 116.4(10) . . ?
C13 C14 C103 124.7(11) . . ?
C15 C14 C103 118.8(11) . . ?
C6 C7 C8 117.4(9) . . ?
C6 C7 C102 118.8(9) . . ?
C8 C7 C102 123.8(9) . . ?
N5 C21 C22 124.2(11) . . ?
N5 C21 H21 117.9 . . ?
C22 C21 H21 117.9 . . ?
C18 C17 C16 118.0(10) . . ?
C18 C17 C104 126.4(9) . . ?
C16 C17 C104 115.5(10) . . ?
C3 C4 C101 123.4(10) . . ?
C3 C4 C5 117.8(9) . . ?
C101 C4 C5 118.8(9) . . ?
C18 C19 C20 118.3(11) . . ?
C18 C19 H19 120.9 . . ?
C20 C19 H19 120.9 . . ?
N5 C25 C24 120.3(10) . . ?
N5 C25 C26 116.7(8) . . ?
C24 C25 C26 123.0(10) . . ?
N3 C11 C12 123.2(10) . . ?
N3 C11 H11 118.4 . . ?
C12 C11 H11 118.4 . . ?
C13 C12 C11 117.0(11) . . ?
C13 C12 H12 121.5 . . ?
C11 C12 H12 121.5 . . ?
C23 C24 C25 118.9(11) . . ?
C23 C24 C105 133.2(15) . . ?
C25 C24 C105 107.9(15) . . ?
C23 C24 H24 120.6 . . ?
C25 C24 H24 120.5 . . ?
C19 C18 C17 120.0(9) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C102 C101 C4 121.1(11) . . ?
C102 C101 H101 119.4 . . ?
C4 C101 H101 119.4 . . ?
N1 C1 C2 121.3(10) . . ?
N1 C1 H1 119.4 . . ?
C2 C1 H1 119.4 . . ?
N6 C26 C27 121.0(10) . . ?
N6 C26 C25 115.9(9) . . ?
C27 C26 C25 123.1(10) . . ?
C21 C22 C23 118.3(11) . . ?
C21 C22 H22 120.9 . . ?
C23 C22 H22 120.9 . . ?
C12 C13 C14 122.4(10) . . ?
C12 C13 H13 118.8 . . ?
C14 C13 H13 118.8 . . ?
C101 C102 C7 121.7(11) . . ?
C101 C102 H102 119.1 . . ?
C7 C102 H102 119.1 . . ?
C3 C2 C1 120.2(10) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C2 C3 C4 119.2(10) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C24 C23 C22 120.0(10) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
N6 C30 C29 121.9(12) . . ?
N6 C30 H30 119.0 . . ?
C29 C30 H30 119.0 . . ?
C104 C103 C14 120.7(11) . . ?
C104 C103 H103 119.6 . . ?
C14 C103 H103 119.6 . . ?
C103 C104 C17 124.2(11) . . ?
C103 C104 H104 117.9 . . ?
C17 C104 H104 117.9 . . ?
C26 C27 C106 117.5(19) . . ?
C26 C27 C28 120.1(13) . . ?
C106 C27 C28 121(2) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 120.0 . . ?
C28 C29 C30 118.6(13) . . ?
C28 C29 H29 120.7 . . ?
C30 C29 H29 120.7 . . ?
C29 C28 C27 119.2(14) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C105 C106 C27 122(3) . . ?
C105 C106 H106 118.8 . . ?
C27 C106 H106 119.1 . . ?
C106 C105 C24 124(3) . . ?
C106 C105 H105 118.0 . . ?
C24 C105 H105 117.6 . . ?

_refine_diff_density_max         2.220
_refine_diff_density_min         -1.589
_refine_diff_density_rms         0.187

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1537169'
_audit_update_record             
;
2017-05-09 deposited with the CCDC.
2017-06-08 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_shelx_1             
;
PROBLEM:  Check Calcd Residual Density  0.98A From   Sb4       4.10 eA-3
RESPONSE: The unusually large residual is possibly contributed to poor 
crystal quality or other effects.
;

_vrf_PLAT973_shelx_1             
;
PROBLEM: Check Calcd Positive Residual Density on  Sb1       1.96 eA-3
RESPONSE: The unusually large residual is possibly contributed to poor 
crystal quality or other effects.
;

_vrf_PLAT306_shelx_1             
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) ....... O1w Check
RESPONSE: The hydrogens of the water molecule was not added.
;


_vrf_PLAT430_shelx_1             
;
PROBLEM: Short Inter D...A Contact O3 .. O4w .. 2.72 Ang.
RESPONSE:  There should be a strong hydrogen 
bond between the two atoms.
;

_vrf_PLAT910_shelx_1             
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)  17 Note
RESPONSE: Theta min for the data collection was 3.229. Reflections below 
that value are excluded.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C69.60 H60.50 Co2 N12 O48.25 Sb8 V14'
_chemical_formula_weight         3642.02

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'
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'
Sb Sb -0.5866 1.5461 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_H-M_alt        'I 41/a'
_space_group_name_Hall           '-I 4ad'

_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+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   19.81131(15)
_cell_length_b                   19.81131(15)
_cell_length_c                   56.5195(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     22183.2(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9501
_cell_measurement_theta_min      3.3930
_cell_measurement_theta_max      28.1180

_exptl_crystal_description       diamond
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.181
_exptl_crystal_F_000             13857
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    3.405
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.56889
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25893
_diffrn_reflns_av_unetI/netI     0.0478
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -70
_diffrn_reflns_limit_l_max       67
_diffrn_reflns_theta_min         2.921
_diffrn_reflns_theta_max         29.097
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.849
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.849
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.849
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             12639
_reflns_number_gt                9324
_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       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.1053P)²+570.1950P] 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         12639
_refine_ls_number_parameters     723
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0664
_refine_ls_wR_factor_ref         0.2113
_refine_ls_wR_factor_gt          0.1799
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.002
_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
Sb2 Sb 0.37535(3) 0.88275(3) 0.56856(2) 0.03185(16) Uani 1 1 d . . . . .
Sb1 Sb 0.32059(3) 0.71352(3) 0.56843(2) 0.03231(16) Uani 1 1 d . . . . .
Sb4 Sb 0.43283(3) 0.46338(3) 0.90661(2) 0.03863(18) Uani 1 1 d . . . . .
Sb3 Sb 0.43079(3) 0.46472(3) 0.84401(2) 0.03929(18) Uani 1 1 d . . . . .
Co1 Co 0.24884(7) 0.48614(7) 0.74629(2) 0.0403(3) Uani 1 1 d . . . . .
V4 V 0.5000 0.7500 0.55666(4) 0.0260(4) Uani 1 2 d S T P . .
V8 V 0.58929(7) 0.42525(7) 0.87454(2) 0.0274(3) Uani 1 1 d . . . . .
V3 V 0.36440(8) 0.79445(7) 0.67020(3) 0.0281(3) Uani 1 1 d . . . . .
V2 V 0.30891(8) 0.81069(8) 0.62496(3) 0.0300(3) Uani 1 1 d . . . . .
V7 V 0.5000 0.2500 0.80380(4) 0.0296(4) Uani 1 2 d S T P . .
V1 V 0.32389(8) 0.65900(8) 0.62535(2) 0.0297(3) Uani 1 1 d . . . . .
V6 V 0.38038(8) 0.31202(8) 0.82483(3) 0.0307(3) Uani 1 1 d . . . . .
V5 V 0.56118(8) 0.36997(8) 0.82433(3) 0.0310(3) Uani 1 1 d . . . . .
O22 O 0.4714(3) 0.3384(3) 0.81611(10) 0.0274(12) Uani 1 1 d . . . . .
O11 O 0.4629(3) 0.8368(3) 0.56770(11) 0.0319(13) Uani 1 1 d . . . . .
O10 O 0.3260(3) 0.7361(3) 0.64618(10) 0.0304(13) Uani 1 1 d . . . . .
O21 O 0.5885(3) 0.2784(3) 0.81623(10) 0.0297(12) Uani 1 1 d . . . . .
O9 O 0.3583(3) 0.8674(3) 0.60180(11) 0.0346(14) Uani 1 1 d . . . . .
O8 O 0.4188(3) 0.7022(3) 0.56806(11) 0.0321(13) Uani 1 1 d . . . . .
O7 O 0.3646(3) 0.8637(3) 0.64624(11) 0.0314(13) Uani 1 1 d . . . . .
O6 O 0.3232(3) 0.8059(3) 0.55704(11) 0.0356(14) Uani 1 1 d . . . . .
O5 O 0.5000 0.7500 0.52824(16) 0.036(2) Uani 1 2 d S T P . .
O4 O 0.3134(3) 0.7346(3) 0.60203(11) 0.0345(14) Uani 1 1 d . . . . .
O20 O 0.5199(3) 0.4233(3) 0.89932(11) 0.0354(14) Uani 1 1 d . . . . .
O19 O 0.5191(3) 0.4242(3) 0.84988(12) 0.0370(14) Uani 1 1 d . . . . .
O18 O 0.3804(3) 0.3816(3) 0.90029(11) 0.0336(13) Uani 1 1 d . . . . .
O17 O 0.3808(3) 0.3817(3) 0.85037(11) 0.0351(14) Uani 1 1 d . . . . .
O16 O 0.6236(4) 0.4986(3) 0.87396(12) 0.0408(16) Uani 1 1 d . . . . .
O3 O 0.2322(3) 0.8348(4) 0.62772(12) 0.0434(16) Uani 1 1 d . . . . .
O15 O 0.5000 0.2500 0.77509(16) 0.043(2) Uani 1 2 d S T P . .
O2 O 0.3078(4) 0.8141(4) 0.68912(12) 0.0414(16) Uani 1 1 d . . . . .
O14 O 0.4196(4) 0.5044(4) 0.87572(13) 0.0480(18) Uani 1 1 d . . . . .
O13 O 0.3301(4) 0.3369(4) 0.80483(13) 0.0447(17) Uani 1 1 d . . . . .
O12 O 0.5858(4) 0.4206(4) 0.80391(13) 0.0457(17) Uani 1 1 d . . . . .
O1 O 0.2515(4) 0.6228(4) 0.62694(13) 0.0467(18) Uani 1 1 d . . . . .
N2 N 0.2661(4) 0.4753(4) 0.70879(14) 0.0395(18) Uani 1 1 d . . . . .
N1 N 0.3472(4) 0.4408(4) 0.74501(15) 0.0422(19) Uani 1 1 d . . . . .
N3 N 0.2031(5) 0.3904(5) 0.75191(15) 0.046(2) Uani 1 1 d . . . . .
N6 N 0.1597(5) 0.5442(5) 0.74023(17) 0.050(2) Uani 1 1 d . . . . .
N4 N 0.2365(5) 0.4861(5) 0.78335(15) 0.045(2) Uani 1 1 d . . . . .
N5 N 0.2869(5) 0.5862(4) 0.74352(15) 0.044(2) Uani 1 1 d . . . . .
C9 C 0.2452(7) 0.4901(6) 0.6672(2) 0.053(3) Uani 1 1 d . . . . .
H9A H 0.2165 0.5055 0.6554 0.063 Uiso 1 1 calc R U . . .
C16 C 0.2087(5) 0.4284(5) 0.79185(18) 0.042(2) Uani 1 1 d . . . . .
C5 C 0.3704(5) 0.4299(5) 0.72287(18) 0.039(2) Uani 1 1 d . . . . .
C6 C 0.3260(5) 0.4488(5) 0.70329(17) 0.038(2) Uani 1 1 d . . . . .
C8 C 0.3064(6) 0.4626(6) 0.66156(18) 0.049(3) Uani 1 1 d . . . . .
H8A H 0.3195 0.4585 0.6458 0.058 Uiso 1 1 calc R U . . .
C10 C 0.2258(6) 0.4951(6) 0.69111(19) 0.046(2) Uani 1 1 d . . . . .
H10A H 0.1835 0.5127 0.6947 0.056 Uiso 1 1 calc R U . . .
C20 C 0.2529(7) 0.5338(6) 0.7990(2) 0.053(3) Uani 1 1 d . . . . .
H20A H 0.2710 0.5739 0.7932 0.064 Uiso 1 1 calc R U . . .
C15 C 0.1913(5) 0.3772(5) 0.77446(19) 0.042(2) Uani 1 1 d . . . . .
C14 C 0.1637(6) 0.3142(7) 0.7824(2) 0.056(3) Uani 1 1 d . . . . .
C7 C 0.3498(6) 0.4403(6) 0.68007(19) 0.049(3) Uani 1 1 d . . . . .
C21 C 0.3502(6) 0.6073(7) 0.7466(2) 0.053(3) Uani 1 1 d . . . . .
H21A H 0.3808 0.5771 0.7532 0.063 Uiso 1 1 calc R U . . .
C17 C 0.1966(6) 0.4172(7) 0.81618(18) 0.052(3) Uani 1 1 d . . . . .
C4 C 0.4345(6) 0.4014(5) 0.7185(2) 0.047(2) Uani 1 1 d . . . . .
C19 C 0.2446(8) 0.5274(7) 0.8232(2) 0.071(4) Uani 1 1 d . . . . .
H19A H 0.2587 0.5611 0.8335 0.085 Uiso 1 1 calc R U . . .
C25 C 0.2414(7) 0.6308(6) 0.73523(18) 0.050(3) Uani 1 1 d . . . . .
C11 C 0.1873(7) 0.3439(6) 0.7356(2) 0.058(3) Uani 1 1 d . . . . .
H11A H 0.1956 0.3539 0.7198 0.069 Uiso 1 1 calc R U . . .
C12 C 0.1590(7) 0.2810(7) 0.7411(3) 0.069(4) Uani 1 1 d . . . . .
H12A H 0.1482 0.2496 0.7295 0.082 Uiso 1 1 calc R U . . .
C24 C 0.2619(8) 0.6978(6) 0.7284(2) 0.061(4) Uani 1 1 d . . . . .
C18 C 0.2144(7) 0.4683(7) 0.8316(2) 0.062(4) Uani 1 1 d . . . . .
H18A H 0.2061 0.4633 0.8477 0.075 Uiso 1 1 calc R U . . .
C101 C 0.4542(7) 0.3912(7) 0.6946(3) 0.066(4) Uani 1 1 d . . . . .
H10B H 0.4960 0.3718 0.6914 0.079 Uiso 1 1 calc R U . . .
C1 C 0.3859(7) 0.4243(6) 0.7632(2) 0.054(3) Uani 1 1 d . . . . .
H1A H 0.3702 0.4320 0.7785 0.064 Uiso 1 1 calc R U . . .
C26 C 0.1710(6) 0.6087(6) 0.7342(2) 0.052(3) Uani 1 1 d . . . . .
C22 C 0.3732(8) 0.6695(7) 0.7408(2) 0.065(4) Uani 1 1 d . . . . .
H22A H 0.4183 0.6810 0.7430 0.078 Uiso 1 1 calc R U . . .
C13 C 0.1481(8) 0.2682(7) 0.7649(3) 0.072(4) Uani 1 1 d . . . . .
H13A H 0.1295 0.2270 0.7693 0.086 Uiso 1 1 calc R U . . .
C102 C 0.4133(8) 0.4094(7) 0.6762(3) 0.066(3) Uani 1 1 d . . . . .
H10C H 0.4275 0.4012 0.6608 0.079 Uiso 1 1 calc R U . . .
C2 C 0.4503(7) 0.3955(7) 0.7601(3) 0.065(4) Uani 1 1 d . . . . .
H2A H 0.4766 0.3846 0.7732 0.078 Uiso 1 1 calc R U . . .
C3 C 0.4740(7) 0.3836(6) 0.7377(3) 0.062(3) Uani 1 1 d . . . . .
H3A H 0.5161 0.3639 0.7355 0.075 Uiso 1 1 calc R U . . .
C23 C 0.3276(8) 0.7156(7) 0.7315(2) 0.065(4) Uani 1 1 d . . . . .
H23A H 0.3420 0.7586 0.7273 0.078 Uiso 1 1 calc R U . . .
C30 C 0.0974(7) 0.5215(8) 0.7402(3) 0.074(4) Uani 1 1 d . . . . .
H30A H 0.0894 0.4775 0.7453 0.088 Uiso 1 1 calc R U . . .
C103 C 0.1506(7) 0.3062(9) 0.8075(3) 0.082(5) Uani 1 1 d . . . . .
H10D H 0.1303 0.2668 0.8129 0.099 Uiso 1 1 calc R U . . .
C104 C 0.1672(7) 0.3540(8) 0.8228(3) 0.069(4) Uani 1 1 d . . . . .
H10E H 0.1592 0.3460 0.8387 0.083 Uiso 1 1 calc R U . . .
C27 C 0.1200(8) 0.6511(9) 0.7273(4) 0.085(5) Uani 1 1 d . . . . .
C29 C 0.0412(8) 0.5620(9) 0.7327(5) 0.113(8) Uani 1 1 d . . . . .
H29A H -0.0021 0.5441 0.7318 0.136 Uiso 1 1 calc R U . . .
C28 C 0.0533(8) 0.6247(10) 0.7273(5) 0.118(8) Uani 1 1 d . . . . .
H28A H 0.0175 0.6528 0.7233 0.141 Uiso 1 1 calc R U . . .
O1W O 0.5000 0.7500 0.6250 0.26(3) Uani 1 4 d S T P . .
O2W O 0.5000 0.2500 0.8750 0.198(4) Uani 1 4 d S TU P . .
O3W O 0.5439(16) 0.5736(16) 0.8306(6) 0.270(14) Uani 1 1 d . U . . .
C106 C 0.1348(17) 0.7096(18) 0.7168(7) 0.069(9) Uani 0.4 1 d . . P . .
C105 C 0.198(2) 0.7365(19) 0.7172(6) 0.076(11) Uani 0.4 1 d . . P . .
O5W O 0.4814(18) 0.6393(18) 0.8808(6) 0.140(11) Uani 0.5 1 d . U P . .
O6W O 0.414(2) 0.613(2) 0.8016(8) 0.184(16) Uani 0.5 1 d . U P . .
O4W O 0.114(3) 0.798(3) 0.6487(11) 0.25(2) Uani 0.5 1 d . U P . .
O7W O 0.5000 0.7500 0.911(3) 0.22(4) Uani 0.25 2 d S TU P . .


_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
Sb2 O9 1.932(6) . ?
Sb2 O6 1.951(7) . ?
Sb2 O11 1.960(6) . ?
Sb1 O6 1.941(7) . ?
Sb1 O4 1.950(6) . ?
Sb1 O8 1.959(6) . ?
Sb4 O20 1.943(6) . ?
Sb4 O14 1.943(8) . ?
Sb4 O18 1.957(6) . ?
Sb3 O19 1.953(7) . ?
Sb3 O17 1.954(6) . ?
Sb3 O14 1.969(7) . ?
Co1 N4 2.108(9) . ?
Co1 N5 2.125(9) . ?
Co1 N3 2.127(9) . ?
Co1 N6 2.134(10) . ?
Co1 N1 2.147(9) . ?
Co1 N2 2.157(8) . ?
V4 O5 1.607(9) . ?
V4 O11 1.971(6) . ?
V4 O11 1.971(6) 6_564 ?
V4 O8 1.974(6) 6_564 ?
V4 O8 1.974(6) . ?
V4 V3 3.1151(17) 15_566 ?
V4 V3 3.1151(17) 12_767 ?
V8 O16 1.605(7) . ?
V8 O20 1.963(6) . ?
V8 O19 1.969(7) . ?
V8 O18 1.972(6) 11_667 ?
V8 O17 1.987(6) 11_667 ?
V8 V5 3.093(2) . ?
V8 V6 3.113(2) 11_667 ?
V3 O2 1.598(6) . ?
V3 O7 1.928(6) . ?
V3 O10 1.939(6) . ?
V3 O8 2.000(6) 15_566 ?
V3 O11 2.002(6) 12_767 ?
V3 V2 2.802(2) . ?
V3 V4 3.1150(17) 15_566 ?
V2 O3 1.600(7) . ?
V2 O10 1.933(6) . ?
V2 O7 1.941(6) . ?
V2 O9 1.984(7) . ?
V2 O4 1.990(7) . ?
V2 V1 3.020(2) . ?
V2 V1 3.027(2) 15_566 ?
V7 O15 1.623(9) . ?
V7 O22 1.967(6) 6_554 ?
V7 O22 1.967(6) . ?
V7 O21 1.971(6) . ?
V7 O21 1.971(6) 6_554 ?
V7 V5 2.9093(18) . ?
V7 V5 2.9093(18) 6_554 ?
V7 V6 2.9220(18) . ?
V7 V6 2.9221(18) 6_554 ?
V1 O1 1.606(7) . ?
V1 O10 1.929(6) . ?
V1 O7 1.947(6) 12_767 ?
V1 O4 2.006(7) . ?
V1 O9 2.007(7) 12_767 ?
V1 V2 3.027(2) 12_767 ?
V6 O13 1.585(7) . ?
V6 O22 1.941(6) . ?
V6 O21 1.956(6) 6_554 ?
V6 O20 1.991(6) 16_657 ?
V6 O17 1.998(7) . ?
V6 V8 3.114(2) 16_657 ?
V5 O12 1.605(7) . ?
V5 O22 1.942(6) . ?
V5 O21 1.947(6) . ?
V5 O19 1.984(7) . ?
V5 O18 2.002(6) 11_667 ?
O11 V3 2.002(6) 15_566 ?
O21 V6 1.956(6) 6_554 ?
O9 V1 2.007(7) 15_566 ?
O8 V3 2.000(6) 12_767 ?
O7 V1 1.947(6) 15_566 ?
O20 V6 1.991(6) 11_667 ?
O18 V8 1.972(6) 16_657 ?
O18 V5 2.001(6) 16_657 ?
O17 V8 1.987(6) 16_657 ?
N2 C6 1.335(14) . ?
N2 C10 1.337(13) . ?
N1 C1 1.324(14) . ?
N1 C5 1.350(13) . ?
N3 C15 1.322(13) . ?
N3 C11 1.339(15) . ?
N6 C30 1.313(16) . ?
N6 C26 1.342(15) . ?
N4 C20 1.334(15) . ?
N4 C16 1.355(13) . ?
N5 C21 1.335(14) . ?
N5 C25 1.346(15) . ?
C9 C8 1.368(18) . ?
C9 C10 1.406(16) . ?
C9 H9A 0.9300 . ?
C16 C17 1.413(14) . ?
C16 C15 1.455(16) . ?
C5 C4 1.412(15) . ?
C5 C6 1.462(14) . ?
C6 C7 1.405(14) . ?
C8 C7 1.425(16) . ?
C8 H8A 0.9300 . ?
C10 H10A 0.9300 . ?
C20 C19 1.384(17) . ?
C20 H20A 0.9300 . ?
C15 C14 1.435(15) . ?
C14 C13 1.38(2) . ?
C14 C103 1.45(2) . ?
C7 C102 1.417(19) . ?
C21 C22 1.355(17) . ?
C21 H21A 0.9300 . ?
C17 C18 1.381(19) . ?
C17 C104 1.43(2) . ?
C4 C3 1.384(17) . ?
C4 C101 1.421(18) . ?
C19 C18 1.40(2) . ?
C19 H19A 0.9300 . ?
C25 C24 1.441(16) . ?
C25 C26 1.462(17) . ?
C11 C12 1.402(17) . ?
C11 H11A 0.9300 . ?
C12 C13 1.38(2) . ?
C12 H12A 0.9300 . ?
C24 C23 1.36(2) . ?
C24 C105 1.60(5) . ?
C18 H18A 0.9300 . ?
C101 C102 1.37(2) . ?
C101 H10B 0.9300 . ?
C1 C2 1.408(19) . ?
C1 H1A 0.9300 . ?
C26 C27 1.371(18) . ?
C22 C23 1.39(2) . ?
C22 H22A 0.9300 . ?
C13 H13A 0.9300 . ?
C102 H10C 0.9300 . ?
C2 C3 1.37(2) . ?
C2 H2A 0.9300 . ?
C3 H3A 0.9300 . ?
C23 H23A 0.9300 . ?
C30 C29 1.44(2) . ?
C30 H30A 0.9300 . ?
C103 C104 1.32(2) . ?
C103 H10D 0.9300 . ?
C104 H10E 0.9300 . ?
C27 C106 1.34(4) . ?
C27 C28 1.42(2) . ?
C29 C28 1.30(3) . ?
C29 H29A 0.9300 . ?
C28 H28A 0.9300 . ?
C106 C105 1.37(5) . ?

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
O9 Sb2 O6 96.3(3) . . ?
O9 Sb2 O11 96.1(3) . . ?
O6 Sb2 O11 95.6(3) . . ?
O6 Sb1 O4 97.1(3) . . ?
O6 Sb1 O8 94.4(3) . . ?
O4 Sb1 O8 96.2(3) . . ?
O20 Sb4 O14 95.7(3) . . ?
O20 Sb4 O18 95.4(3) . . ?
O14 Sb4 O18 96.3(3) . . ?
O19 Sb3 O17 94.4(3) . . ?
O19 Sb3 O14 96.3(3) . . ?
O17 Sb3 O14 96.4(3) . . ?
N4 Co1 N5 96.6(3) . . ?
N4 Co1 N3 78.6(3) . . ?
N5 Co1 N3 173.6(4) . . ?
N4 Co1 N6 93.7(4) . . ?
N5 Co1 N6 77.3(4) . . ?
N3 Co1 N6 98.7(4) . . ?
N4 Co1 N1 97.9(4) . . ?
N5 Co1 N1 93.8(3) . . ?
N3 Co1 N1 91.0(4) . . ?
N6 Co1 N1 166.1(3) . . ?
N4 Co1 N2 173.7(4) . . ?
N5 Co1 N2 87.9(3) . . ?
N3 Co1 N2 97.2(3) . . ?
N6 Co1 N2 91.5(4) . . ?
N1 Co1 N2 77.4(3) . . ?
O5 V4 O11 108.45(19) . . ?
O5 V4 O11 108.46(19) . 6_564 ?
O11 V4 O11 143.1(4) . 6_564 ?
O5 V4 O8 109.04(19) . 6_564 ?
O11 V4 O8 77.4(2) . 6_564 ?
O11 V4 O8 90.7(3) 6_564 6_564 ?
O5 V4 O8 109.04(19) . . ?
O11 V4 O8 90.7(3) . . ?
O11 V4 O8 77.4(2) 6_564 . ?
O8 V4 O8 141.9(4) 6_564 . ?
O5 V4 V3 114.83(4) . 15_566 ?
O11 V4 V3 38.74(18) . 15_566 ?
O11 V4 V3 120.9(2) 6_564 15_566 ?
O8 V4 V3 38.68(17) 6_564 15_566 ?
O8 V4 V3 120.44(19) . 15_566 ?
O5 V4 V3 114.83(4) . 12_767 ?
O11 V4 V3 120.9(2) . 12_767 ?
O11 V4 V3 38.74(18) 6_564 12_767 ?
O8 V4 V3 120.44(19) 6_564 12_767 ?
O8 V4 V3 38.68(17) . 12_767 ?
V3 V4 V3 130.34(8) 15_566 12_767 ?
O16 V8 O20 109.3(3) . . ?
O16 V8 O19 107.2(3) . . ?
O20 V8 O19 90.6(3) . . ?
O16 V8 O18 108.1(3) . 11_667 ?
O20 V8 O18 142.6(3) . 11_667 ?
O19 V8 O18 77.9(3) . 11_667 ?
O16 V8 O17 109.9(3) . 11_667 ?
O20 V8 O17 77.1(3) . 11_667 ?
O19 V8 O17 142.9(3) . 11_667 ?
O18 V8 O17 90.9(3) 11_667 11_667 ?
O16 V8 V5 112.2(2) . . ?
O20 V8 V5 121.4(2) . . ?
O19 V8 V5 38.7(2) . . ?
O18 V8 V5 39.24(18) 11_667 . ?
O17 V8 V5 122.2(2) 11_667 . ?
O16 V8 V6 114.4(2) . 11_667 ?
O20 V8 V6 38.37(19) . 11_667 ?
O19 V8 V6 121.6(2) . 11_667 ?
O18 V8 V6 122.0(2) 11_667 11_667 ?
O17 V8 V6 38.72(19) 11_667 11_667 ?
V5 V8 V6 133.38(6) . 11_667 ?
O2 V3 O7 107.4(3) . . ?
O2 V3 O10 109.8(3) . . ?
O7 V3 O10 86.2(3) . . ?
O2 V3 O8 107.5(3) . 15_566 ?
O7 V3 O8 88.4(3) . 15_566 ?
O10 V3 O8 142.3(3) . 15_566 ?
O2 V3 O11 107.8(3) . 12_767 ?
O7 V3 O11 144.4(3) . 12_767 ?
O10 V3 O11 87.0(3) . 12_767 ?
O8 V3 O11 76.1(3) 15_566 12_767 ?
O2 V3 V2 107.9(3) . . ?
O7 V3 V2 43.79(19) . . ?
O10 V3 V2 43.56(18) . . ?
O8 V3 V2 127.06(19) 15_566 . ?
O11 V3 V2 126.42(19) 12_767 . ?
O2 V3 V4 113.1(3) . 15_566 ?
O7 V3 V4 119.6(2) . 15_566 ?
O10 V3 V4 117.64(19) . 15_566 ?
O8 V3 V4 38.08(18) 15_566 15_566 ?
O11 V3 V4 38.03(17) 12_767 15_566 ?
V2 V3 V4 138.94(7) . 15_566 ?
O3 V2 O10 109.5(3) . . ?
O3 V2 O7 108.5(3) . . ?
O10 V2 O7 86.0(3) . . ?
O3 V2 O9 111.3(3) . . ?
O10 V2 O9 139.1(3) . . ?
O7 V2 O9 79.7(3) . . ?
O3 V2 O4 109.4(3) . . ?
O10 V2 O4 79.5(3) . . ?
O7 V2 O4 142.0(3) . . ?
O9 V2 O4 88.7(3) . . ?
O3 V2 V3 108.5(3) . . ?
O10 V2 V3 43.72(18) . . ?
O7 V2 V3 43.42(18) . . ?
O9 V2 V3 118.3(2) . . ?
O4 V2 V3 119.3(2) . . ?
O3 V2 V1 112.9(3) . . ?
O10 V2 V1 38.51(18) . . ?
O7 V2 V1 118.57(19) . . ?
O9 V2 V1 121.4(2) . . ?
O4 V2 V1 41.10(19) . . ?
V3 V2 V1 80.82(6) . . ?
O3 V2 V1 113.4(3) . 15_566 ?
O10 V2 V1 117.81(19) . 15_566 ?
O7 V2 V1 38.95(18) . 15_566 ?
O9 V2 V1 40.96(19) . 15_566 ?
O4 V2 V1 122.7(2) . 15_566 ?
V3 V2 V1 80.50(6) . 15_566 ?
V1 V2 V1 133.43(7) . 15_566 ?
O15 V7 O22 110.72(18) . 6_554 ?
O15 V7 O22 110.71(18) . . ?
O22 V7 O22 138.6(4) 6_554 . ?
O15 V7 O21 110.88(18) . . ?
O22 V7 O21 82.6(2) 6_554 . ?
O22 V7 O21 82.9(2) . . ?
O15 V7 O21 110.89(18) . 6_554 ?
O22 V7 O21 82.9(2) 6_554 6_554 ?
O22 V7 O21 82.6(2) . 6_554 ?
O21 V7 O21 138.2(4) . 6_554 ?
O15 V7 V5 113.50(5) . . ?
O22 V7 V5 117.77(18) 6_554 . ?
O22 V7 V5 41.59(17) . . ?
O21 V7 V5 41.75(18) . . ?
O21 V7 V5 117.50(18) 6_554 . ?
O15 V7 V5 113.51(5) . 6_554 ?
O22 V7 V5 41.58(17) 6_554 6_554 ?
O22 V7 V5 117.77(18) . 6_554 ?
O21 V7 V5 117.50(18) . 6_554 ?
O21 V7 V5 41.75(18) 6_554 6_554 ?
V5 V7 V5 132.99(9) . 6_554 ?
O15 V7 V6 113.99(5) . . ?
O22 V7 V6 117.65(18) 6_554 . ?
O22 V7 V6 41.26(17) . . ?
O21 V7 V6 117.16(19) . . ?
O21 V7 V6 41.72(17) 6_554 . ?
V5 V7 V6 80.34(5) . . ?
V5 V7 V6 80.99(5) 6_554 . ?
O15 V7 V6 114.00(5) . 6_554 ?
O22 V7 V6 41.26(17) 6_554 6_554 ?
O22 V7 V6 117.65(18) . 6_554 ?
O21 V7 V6 41.72(17) . 6_554 ?
O21 V7 V6 117.15(19) 6_554 6_554 ?
V5 V7 V6 80.99(5) . 6_554 ?
V5 V7 V6 80.34(5) 6_554 6_554 ?
V6 V7 V6 132.01(9) . 6_554 ?
O1 V1 O10 109.8(3) . . ?
O1 V1 O7 113.6(3) . 12_767 ?
O10 V1 O7 136.6(3) . 12_767 ?
O1 V1 O4 106.1(4) . . ?
O10 V1 O4 79.2(3) . . ?
O7 V1 O4 89.5(3) 12_767 . ?
O1 V1 O9 105.0(4) . 12_767 ?
O10 V1 O9 89.5(3) . 12_767 ?
O7 V1 O9 79.0(3) 12_767 12_767 ?
O4 V1 O9 148.9(3) . 12_767 ?
O1 V1 V2 110.9(3) . . ?
O10 V1 V2 38.60(18) . . ?
O7 V1 V2 120.48(19) 12_767 . ?
O4 V1 V2 40.72(19) . . ?
O9 V1 V2 124.03(19) 12_767 . ?
O1 V1 V2 112.5(3) . 12_767 ?
O10 V1 V2 120.41(19) . 12_767 ?
O7 V1 V2 38.81(18) 12_767 12_767 ?
O4 V1 V2 124.32(19) . 12_767 ?
O9 V1 V2 40.39(18) 12_767 12_767 ?
V2 V1 V2 136.56(7) . 12_767 ?
O13 V6 O22 108.6(3) . . ?
O13 V6 O21 107.8(3) . 6_554 ?
O22 V6 O21 83.7(3) . 6_554 ?
O13 V6 O20 108.6(3) . 16_657 ?
O22 V6 O20 142.7(3) . 16_657 ?
O21 V6 O20 88.1(3) 6_554 16_657 ?
O13 V6 O17 107.6(4) . . ?
O22 V6 O17 89.7(3) . . ?
O21 V6 O17 144.2(3) 6_554 . ?
O20 V6 O17 76.2(3) 16_657 . ?
O13 V6 V7 110.5(3) . . ?
O22 V6 V7 41.95(17) . . ?
O21 V6 V7 42.13(18) 6_554 . ?
O20 V6 V7 123.7(2) 16_657 . ?
O17 V6 V7 125.5(2) . . ?
O13 V6 V8 112.3(3) . 16_657 ?
O22 V6 V8 121.02(18) . 16_657 ?
O21 V6 V8 119.90(19) 6_554 16_657 ?
O20 V6 V8 37.73(19) 16_657 16_657 ?
O17 V6 V8 38.48(19) . 16_657 ?
V7 V6 V8 137.20(7) . 16_657 ?
O12 V5 O22 107.9(3) . . ?
O12 V5 O21 109.2(3) . . ?
O22 V5 O21 84.2(3) . . ?
O12 V5 O19 108.3(4) . . ?
O22 V5 O19 87.9(3) . . ?
O21 V5 O19 142.4(3) . . ?
O12 V5 O18 107.8(3) . 11_667 ?
O22 V5 O18 144.0(3) . 11_667 ?
O21 V5 O18 88.3(3) . 11_667 ?
O19 V5 O18 76.9(3) . 11_667 ?
O12 V5 V7 110.5(3) . . ?
O22 V5 V7 42.24(17) . . ?
O21 V5 V7 42.38(18) . . ?
O19 V5 V7 123.9(2) . . ?
O18 V5 V7 125.0(2) 11_667 . ?
O12 V5 V8 112.6(3) . . ?
O22 V5 V8 119.90(18) . . ?
O21 V5 V8 119.69(18) . . ?
O19 V5 V8 38.36(19) . . ?
O18 V5 V8 38.56(18) 11_667 . ?
V7 V5 V8 136.91(7) . . ?
V6 O22 V5 151.3(3) . . ?
V6 O22 V7 96.8(3) . . ?
V5 O22 V7 96.2(2) . . ?
Sb2 O11 V4 138.0(3) . . ?
Sb2 O11 V3 118.8(3) . 15_566 ?
V4 O11 V3 103.2(3) . 15_566 ?
V1 O10 V2 102.9(3) . . ?
V1 O10 V3 155.2(4) . . ?
V2 O10 V3 92.7(3) . . ?
V5 O21 V6 151.9(3) . 6_554 ?
V5 O21 V7 95.9(3) . . ?
V6 O21 V7 96.1(3) 6_554 . ?
Sb2 O9 V2 144.8(4) . . ?
Sb2 O9 V1 116.6(3) . 15_566 ?
V2 O9 V1 98.7(3) . 15_566 ?
Sb1 O8 V4 139.3(3) . . ?
Sb1 O8 V3 117.2(3) . 12_767 ?
V4 O8 V3 103.2(3) . 12_767 ?
V3 O7 V2 92.8(3) . . ?
V3 O7 V1 153.3(4) . 15_566 ?
V2 O7 V1 102.2(3) . 15_566 ?
Sb1 O6 Sb2 129.7(3) . . ?
Sb1 O4 V2 143.1(4) . . ?
Sb1 O4 V1 118.2(3) . . ?
V2 O4 V1 98.2(3) . . ?
Sb4 O20 V8 139.9(3) . . ?
Sb4 O20 V6 115.8(3) . 11_667 ?
V8 O20 V6 103.9(3) . 11_667 ?
Sb3 O19 V8 138.4(4) . . ?
Sb3 O19 V5 118.4(3) . . ?
V8 O19 V5 103.0(3) . . ?
Sb4 O18 V8 141.1(3) . 16_657 ?
Sb4 O18 V5 116.6(3) . 16_657 ?
V8 O18 V5 102.2(3) 16_657 16_657 ?
Sb3 O17 V8 140.4(4) . 16_657 ?
Sb3 O17 V6 116.8(3) . . ?
V8 O17 V6 102.8(3) 16_657 . ?
Sb4 O14 Sb3 129.5(4) . . ?
C6 N2 C10 118.2(9) . . ?
C6 N2 Co1 114.1(6) . . ?
C10 N2 Co1 127.6(8) . . ?
C1 N1 C5 118.9(10) . . ?
C1 N1 Co1 127.1(8) . . ?
C5 N1 Co1 114.0(7) . . ?
C15 N3 C11 119.1(10) . . ?
C15 N3 Co1 113.3(7) . . ?
C11 N3 Co1 127.6(8) . . ?
C30 N6 C26 118.8(11) . . ?
C30 N6 Co1 126.4(10) . . ?
C26 N6 Co1 114.6(7) . . ?
C20 N4 C16 117.4(10) . . ?
C20 N4 Co1 129.0(8) . . ?
C16 N4 Co1 113.6(7) . . ?
C21 N5 C25 118.0(10) . . ?
C21 N5 Co1 128.0(8) . . ?
C25 N5 Co1 113.6(7) . . ?
C8 C9 C10 119.7(11) . . ?
C8 C9 H9A 120.2 . . ?
C10 C9 H9A 120.2 . . ?
N4 C16 C17 123.2(11) . . ?
N4 C16 C15 116.4(9) . . ?
C17 C16 C15 120.5(10) . . ?
N1 C5 C4 122.1(10) . . ?
N1 C5 C6 117.1(9) . . ?
C4 C5 C6 120.7(10) . . ?
N2 C6 C7 124.3(10) . . ?
N2 C6 C5 117.3(9) . . ?
C7 C6 C5 118.3(10) . . ?
C9 C8 C7 119.1(10) . . ?
C9 C8 H8A 120.5 . . ?
C7 C8 H8A 120.5 . . ?
N2 C10 C9 122.2(11) . . ?
N2 C10 H10A 118.9 . . ?
C9 C10 H10A 118.9 . . ?
N4 C20 C19 124.1(12) . . ?
N4 C20 H20A 117.9 . . ?
C19 C20 H20A 117.9 . . ?
N3 C15 C14 122.7(11) . . ?
N3 C15 C16 118.2(9) . . ?
C14 C15 C16 119.0(10) . . ?
C13 C14 C15 115.8(12) . . ?
C13 C14 C103 126.1(13) . . ?
C15 C14 C103 118.0(13) . . ?
C6 C7 C102 119.7(11) . . ?
C6 C7 C8 116.5(11) . . ?
C102 C7 C8 123.8(11) . . ?
N5 C21 C22 124.8(13) . . ?
N5 C21 H21A 117.6 . . ?
C22 C21 H21A 117.6 . . ?
C18 C17 C16 117.1(12) . . ?
C18 C17 C104 125.5(11) . . ?
C16 C17 C104 117.4(12) . . ?
C3 C4 C5 118.2(11) . . ?
C3 C4 C101 123.7(12) . . ?
C5 C4 C101 118.1(11) . . ?
C20 C19 C18 117.6(13) . . ?
C20 C19 H19A 121.2 . . ?
C18 C19 H19A 121.2 . . ?
N5 C25 C24 120.6(12) . . ?
N5 C25 C26 117.1(10) . . ?
C24 C25 C26 122.3(12) . . ?
N3 C11 C12 123.5(12) . . ?
N3 C11 H11A 118.2 . . ?
C12 C11 H11A 118.2 . . ?
C13 C12 C11 116.1(13) . . ?
C13 C12 H12A 121.9 . . ?
C11 C12 H12A 121.9 . . ?
C23 C24 C25 118.3(13) . . ?
C23 C24 C105 132.7(17) . . ?
C25 C24 C105 108.9(18) . . ?
C17 C18 C19 120.5(11) . . ?
C17 C18 H18A 119.7 . . ?
C19 C18 H18A 119.7 . . ?
C102 C101 C4 121.5(13) . . ?
C102 C101 H10B 119.2 . . ?
C4 C101 H10B 119.2 . . ?
N1 C1 C2 121.8(12) . . ?
N1 C1 H1A 119.1 . . ?
C2 C1 H1A 119.1 . . ?
N6 C26 C27 122.2(13) . . ?
N6 C26 C25 115.7(10) . . ?
C27 C26 C25 122.1(12) . . ?
C21 C22 C23 118.1(13) . . ?
C21 C22 H22A 121.0 . . ?
C23 C22 H22A 121.0 . . ?
C14 C13 C12 122.8(12) . . ?
C14 C13 H13A 118.6 . . ?
C12 C13 H13A 118.6 . . ?
C101 C102 C7 121.5(13) . . ?
C101 C102 H10C 119.2 . . ?
C7 C102 H10C 119.2 . . ?
C3 C2 C1 119.7(12) . . ?
C3 C2 H2A 120.1 . . ?
C1 C2 H2A 120.1 . . ?
C2 C3 C4 119.1(12) . . ?
C2 C3 H3A 120.4 . . ?
C4 C3 H3A 120.4 . . ?
C24 C23 C22 120.1(12) . . ?
C24 C23 H23A 119.9 . . ?
C22 C23 H23A 119.9 . . ?
N6 C30 C29 122.5(14) . . ?
N6 C30 H30A 118.8 . . ?
C29 C30 H30A 118.8 . . ?
C104 C103 C14 121.0(13) . . ?
C104 C103 H10D 119.5 . . ?
C14 C103 H10D 119.5 . . ?
C103 C104 C17 123.9(13) . . ?
C103 C104 H10E 118.0 . . ?
C17 C104 H10E 118.0 . . ?
C106 C27 C26 120(2) . . ?
C106 C27 C28 122(2) . . ?
C26 C27 C28 117.4(16) . . ?
C28 C29 C30 117.4(16) . . ?
C28 C29 H29A 121.3 . . ?
C30 C29 H29A 121.3 . . ?
C29 C28 C27 121.5(16) . . ?
C29 C28 H28A 119.3 . . ?
C27 C28 H28A 119.3 . . ?
C27 C106 C105 122(3) . . ?
C106 C105 C24 123(3) . . ?

_refine_diff_density_max         4.408
_refine_diff_density_min         -2.274
_refine_diff_density_rms         0.235

