# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2022

####################################################################### 
# 
# 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_111
_database_code_depnum_ccdc_archive 'CCDC 2104615'
loop_
_audit_author_name
_audit_author_address
'Xinxin Liu'
;The Cambridge Crystallographic Data Centre
China
;
_audit_update_record             
;
2021-09-02 deposited with the CCDC.	2021-12-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B18 H56 O80 V12'
_chemical_formula_weight         2142.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   18.968(4)
_cell_length_b                   18.443(4)
_cell_length_c                   19.815(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.77(3)
_cell_angle_gamma                90.00
_cell_volume                     6924(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8571
_cell_measurement_theta_min      2.387
_cell_measurement_theta_max      26.374

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.055
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4248
_exptl_absorpt_coefficient_mu    1.684
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6874
_exptl_absorpt_correction_T_max  0.8749
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       ω-2θ
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31670
_diffrn_reflns_av_R_equivalents  0.0827
_diffrn_reflns_av_sigmaI/netI    0.0710
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         27.41
_reflns_number_total             7821
_reflns_number_gt                5835
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0860P)²+31.2689P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7821
_refine_ls_number_parameters     559
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0631
_refine_ls_wR_factor_ref         0.1753
_refine_ls_wR_factor_gt          0.1602
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
V1 V 0.18594(5) 0.86882(4) 0.37008(4) 0.0147(2) Uani 1 1 d . . .
V2 V 0.25087(5) 0.68617(4) 0.33134(4) 0.0146(2) Uani 1 1 d . . .
V3 V 0.33677(5) 0.82425(4) 0.34601(4) 0.0147(2) Uani 1 1 d . . .
V4 V 0.08543(5) 0.70778(4) 0.41962(4) 0.0152(2) Uani 1 1 d . . .
V5 V 0.08254(5) 0.85610(4) 0.48030(4) 0.0149(2) Uani 1 1 d . . .
V6 V 0.18192(5) 0.57789(4) 0.42145(4) 0.0151(2) Uani 1 1 d . . .
O1 O 0.4291(2) 0.63526(18) 0.30430(17) 0.0200(8) Uani 1 1 d . . .
O2 O 0.33569(19) 0.50800(17) 0.44676(17) 0.0178(7) Uani 1 1 d . . .
O3 O 0.0091(2) 0.8988(2) 0.4617(2) 0.0262(9) Uani 1 1 d . . .
O4 O 0.2856(2) 1.03071(19) 0.38797(17) 0.0195(8) Uani 1 1 d . . .
O5 O 0.49356(19) 0.92093(18) 0.47718(18) 0.0202(8) Uani 1 1 d . . .
O6 O 0.22750(19) 0.53414(18) 0.50593(17) 0.0169(7) Uani 1 1 d . . .
O7 O 0.39638(19) 0.62114(17) 0.42023(16) 0.0149(7) Uani 1 1 d . . .
O8 O 0.4364(2) 0.74357(18) 0.49667(17) 0.0188(8) Uani 1 1 d . . .
O9 O 0.38269(18) 0.96521(17) 0.43617(17) 0.0156(7) Uani 1 1 d . . .
O10 O 0.1801(2) 1.04515(19) 0.44822(18) 0.0209(8) Uani 1 1 d . . .
O11 O 0.2733(2) 0.60280(19) 0.38838(18) 0.0202(8) Uani 1 1 d . . .
O12 O 0.23876(19) 0.79057(19) 0.33130(18) 0.0178(7) Uani 1 1 d D . .
O13 O 0.47106(19) 0.72154(18) 0.38429(17) 0.0161(7) Uani 1 1 d . . .
O14 O 0.1609(2) 0.66615(19) 0.36938(18) 0.0184(8) Uani 1 1 d D . .
O15 O 0.41753(18) 0.83821(17) 0.41377(17) 0.0158(7) Uani 1 1 d . . .
O16 O 0.1125(2) 0.80604(19) 0.39984(18) 0.0193(8) Uani 1 1 d D . .
O17 O 0.3639(2) 0.8536(2) 0.27375(18) 0.0229(8) Uani 1 1 d D . .
O18 O 0.1541(2) 0.9162(2) 0.30691(19) 0.0258(9) Uani 1 1 d . . .
O19 O 0.1481(2) 0.5105(2) 0.3776(2) 0.0227(8) Uani 1 1 d D . .
O20 O 0.34738(19) 0.71987(18) 0.35188(17) 0.0176(7) Uani 1 1 d . . .
O21 O 0.0122(2) 0.6895(2) 0.3770(2) 0.0279(9) Uani 1 1 d . . .
O22 O 0.1605(2) 0.91570(19) 0.45432(17) 0.0197(8) Uani 1 1 d . . .
O23 O 0.2432(2) 0.6578(2) 0.25348(18) 0.0261(9) Uani 1 1 d . . .
O24 O 0.6145(2) 0.8927(2) 0.4968(2) 0.0303(10) Uani 1 1 d D . .
O25 O 0.2835(2) 0.89984(18) 0.38842(18) 0.0197(8) Uani 1 1 d . . .
O26 O 0.53714(19) 0.80369(18) 0.45145(18) 0.0190(8) Uani 1 1 d . . .
O27 O 0.4137(2) 0.5394(2) 0.22749(19) 0.0321(10) Uani 1 1 d . . .
H27 H 0.3918 0.5013 0.2227 0.048 Uiso 1 1 calc R . .
O28 O 0.3612(2) 0.53171(18) 0.33390(18) 0.0201(8) Uani 1 1 d . . .
O29 O 0.1119(2) 0.62317(18) 0.47410(17) 0.0195(8) Uani 1 1 d . . .
O30 O 0.2072(2) 1.1308(2) 0.3681(2) 0.0324(10) Uani 1 1 d D . .
O1A O 0.2812(4) 0.9895(3) 0.2446(3) 0.0607(16) Uani 1 1 d G . .
H1AA H 0.2899 1.0098 0.2825 0.091 Uiso 1 1 d G . .
H1AB H 0.2442 1.0081 0.2257 0.091 Uiso 1 1 d G . .
O1B O 0.5368(3) 0.5426(3) 0.4051(3) 0.0544(14) Uani 1 1 d G . .
H1BA H 0.5750 0.5431 0.4293 0.082 Uiso 1 1 d G . .
H1BB H 0.5119 0.5791 0.4147 0.082 Uiso 1 1 d G . .
O1C O 0.4910(3) 1.0292(3) 0.3687(3) 0.0570(14) Uani 1 1 d G . .
H1CA H 0.5325 1.0218 0.3857 0.086 Uiso 1 1 d G . .
H1CB H 0.4858 1.0069 0.3313 0.086 Uiso 1 1 d GD . .
O1D O 0.1342(4) 0.6867(5) 0.1282(4) 0.079(2) Uani 1 1 d G . .
H1DA H 0.1513 0.6476 0.1133 0.119 Uiso 1 1 d G . .
H1DB H 0.1608 0.7220 0.1185 0.119 Uiso 1 1 d G . .
O1E O 0.5000 0.9278(5) 0.2500 0.065(2) Uani 1 2 d SG . .
H1EB H 0.5385 0.9227 0.2732 0.098 Uiso 0.50 1 d PGD . .
H1EA H 0.4687 0.9005 0.2657 0.098 Uiso 0.50 1 d PGD . .
O1F O 0.0803(4) 0.6167(5) 0.2465(3) 0.082(2) Uani 1 1 d G . .
H1FA H 0.1047 0.6316 0.2809 0.123 Uiso 1 1 d GD . .
H1FB H 0.1069 0.6116 0.2135 0.123 Uiso 1 1 d G . .
O1G O 0.2066(6) 0.8123(5) 0.1897(4) 0.112(3) Uani 1 1 d G . .
H1GA H 0.2407 0.7871 0.1761 0.168 Uiso 1 1 d G . .
H1GB H 0.1880 0.7907 0.2222 0.168 Uiso 1 1 d GD . .
B8 B 0.4650(3) 0.7759(3) 0.4361(3) 0.0177(12) Uani 1 1 d . . .
O1H O 0.4121(4) 0.7239(3) 0.1884(3) 0.0652(16) Uani 1 1 d G . .
H1HA H 0.3810 0.7555 0.1970 0.098 Uiso 1 1 d G . .
H1HB H 0.4527 0.7398 0.2008 0.098 Uiso 1 1 d G . .
B10 B 0.3418(3) 0.5653(3) 0.3986(3) 0.0174(12) Uani 1 1 d . . .
B11 B 0.1936(3) 0.9793(3) 0.4885(3) 0.0171(12) Uani 1 1 d . . .
B12 B 0.3077(3) 0.9651(3) 0.4265(3) 0.0147(11) Uani 1 1 d . . .
B13 B 0.4008(3) 0.5692(3) 0.2897(3) 0.0183(12) Uani 1 1 d . . .
B14 B 0.4115(3) 0.6753(3) 0.3656(3) 0.0165(11) Uani 1 1 d . . .
B15 B 0.2255(3) 1.0677(3) 0.4013(3) 0.0189(12) Uani 1 1 d . . .
B16 B 0.5455(3) 0.8734(3) 0.4745(3) 0.0202(12) Uani 1 1 d . . .
B17 B 0.4200(3) 0.9015(3) 0.4629(3) 0.0154(11) Uani 1 1 d . . .
O1I O 0.0915(10) 0.8870(7) 0.1448(10) 0.229(7) Uani 1 1 d GU . .
H1IA H 0.0632 0.8592 0.1644 0.344 Uiso 1 1 d G . .
H1IB H 0.0967 0.8719 0.1049 0.344 Uiso 1 1 d GD . .
O1J O 0.2505(12) 0.8758(7) 0.0688(8) 0.188(6) Uani 1 1 d G . .
H1JA H 0.2815 0.8554 0.0946 0.283 Uiso 1 1 d G . .
H1JB H 0.2108 0.8744 0.0869 0.283 Uiso 1 1 d GD . .
O1L O 0.0000 0.815(3) 0.2500 0.289(14) Uani 1 2 d SG . .
H1LA H -0.0375 0.8159 0.2248 0.433 Uiso 0.50 1 d PG . .
H1LB H 0.0196 0.7734 0.2463 0.433 Uiso 0.50 1 d PG . .
H30 H 0.227(3) 1.135(4) 0.333(2) 0.04(2) Uiso 1 1 d D . .
H24 H 0.608(5) 0.9351(19) 0.506(5) 0.08(3) Uiso 1 1 d D . .
H2B H 0.169(9) 0.704(5) 0.347(4) 0.22(8) Uiso 1 1 d D . .
H2A H 0.256(10) 0.756(8) 0.309(6) 0.29(11) Uiso 1 1 d D . .
H1 H 0.143(15) 0.780(16) 0.422(18) 0.5(2) Uiso 1 1 d D . .
H17 H 0.356(5) 0.881(5) 0.240(4) 0.13(5) Uiso 1 1 d D . .
H6 H 0.152(8) 0.503(8) 0.4198(16) 0.19(7) Uiso 1 1 d 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
V1 O18 1.620(4) . ?
V1 O16 1.925(4) . ?
V1 O12 1.937(4) . ?
V1 O25 1.955(4) . ?
V1 O22 1.961(4) . ?
V1 V5 3.0142(15) . ?
V1 V3 3.0364(14) . ?
V2 O23 1.629(4) . ?
V2 O14 1.934(4) . ?
V2 O12 1.939(4) . ?
V2 O11 1.943(3) . ?
V2 O20 1.957(4) . ?
V2 V6 3.0186(13) . ?
V2 V3 3.0296(12) . ?
V3 O17 1.637(4) . ?
V3 O25 1.937(4) . ?
V3 O20 1.938(3) . ?
V3 O12 1.968(4) . ?
V3 O15 2.004(4) . ?
V4 O21 1.626(4) . ?
V4 O16 1.929(4) . ?
V4 O14 1.941(4) . ?
V4 O8 1.948(4) 7_566 ?
V4 O29 1.949(3) . ?
V4 V5 2.9896(12) . ?
V4 V6 3.0138(13) . ?
V5 O3 1.626(4) . ?
V5 O8 1.932(3) 7_566 ?
V5 O22 1.932(4) . ?
V5 O16 1.951(4) . ?
V5 O7 2.036(3) 7_566 ?
V6 O19 1.630(4) . ?
V6 O29 1.919(4) . ?
V6 O11 1.937(4) . ?
V6 O14 1.958(4) . ?
V6 O6 2.015(4) . ?
O1 B13 1.356(7) . ?
O1 B14 1.474(7) . ?
O2 B10 1.433(7) . ?
O2 B11 1.441(7) 7_566 ?
O4 B15 1.366(7) . ?
O4 B12 1.480(6) . ?
O5 B16 1.322(7) . ?
O5 B17 1.455(7) . ?
O6 B11 1.515(7) 7_566 ?
O6 B12 1.525(6) 7_566 ?
O7 B10 1.507(7) . ?
O7 B14 1.511(6) . ?
O7 V5 2.036(3) 7_566 ?
O8 B8 1.467(7) . ?
O8 V5 1.932(3) 7_566 ?
O8 V4 1.948(4) 7_566 ?
O9 B12 1.426(7) . ?
O9 B17 1.457(6) . ?
O10 B15 1.363(7) . ?
O10 B11 1.470(6) . ?
O11 B10 1.478(7) . ?
O13 B8 1.444(7) . ?
O13 B14 1.449(7) . ?
O15 B8 1.514(6) . ?
O15 B17 1.520(6) . ?
O20 B14 1.483(7) . ?
O22 B11 1.479(6) . ?
O24 B16 1.405(7) . ?
O25 B12 1.482(6) . ?
O26 B16 1.371(7) . ?
O26 B8 1.478(7) . ?
O27 B13 1.383(7) . ?
O28 B13 1.369(7) . ?
O28 B10 1.485(7) . ?
O29 B17 1.484(7) 7_566 ?
O30 B15 1.373(7) . ?
B11 O2 1.441(7) 7_566 ?
B11 O6 1.515(7) 7_566 ?
B12 O6 1.525(6) 7_566 ?
B17 O29 1.484(7) 7_566 ?

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
O18 V1 O16 108.24(19) . . ?
O18 V1 O12 106.06(18) . . ?
O16 V1 O12 93.96(16) . . ?
O18 V1 O25 107.48(18) . . ?
O16 V1 O25 144.24(16) . . ?
O12 V1 O25 77.79(15) . . ?
O18 V1 O22 108.77(18) . . ?
O16 V1 O22 78.06(15) . . ?
O12 V1 O22 145.04(15) . . ?
O25 V1 O22 88.99(16) . . ?
O18 V1 V5 111.74(15) . . ?
O16 V1 V5 39.26(11) . . ?
O12 V1 V5 126.63(11) . . ?
O25 V1 V5 122.11(11) . . ?
O22 V1 V5 38.92(11) . . ?
O18 V1 V3 110.12(16) . . ?
O16 V1 V3 125.89(12) . . ?
O12 V1 V3 39.34(11) . . ?
O25 V1 V3 38.51(10) . . ?
O22 V1 V3 121.70(12) . . ?
V5 V1 V3 138.05(4) . . ?
O23 V2 O14 105.51(19) . . ?
O23 V2 O12 108.29(17) . . ?
O14 V2 O12 94.76(16) . . ?
O23 V2 O11 107.66(18) . . ?
O14 V2 O11 78.13(16) . . ?
O12 V2 O11 143.95(15) . . ?
O23 V2 O20 109.82(19) . . ?
O14 V2 O20 144.44(15) . . ?
O12 V2 O20 78.13(15) . . ?
O11 V2 O20 87.39(15) . . ?
O23 V2 V6 109.02(15) . . ?
O14 V2 V6 39.42(11) . . ?
O12 V2 V6 127.04(12) . . ?
O11 V2 V6 38.85(11) . . ?
O20 V2 V6 120.97(11) . . ?
O23 V2 V3 112.60(15) . . ?
O14 V2 V3 127.13(11) . . ?
O12 V2 V3 39.51(11) . . ?
O11 V2 V3 120.53(11) . . ?
O20 V2 V3 38.73(10) . . ?
V6 V2 V3 138.22(4) . . ?
O17 V3 O25 109.52(17) . . ?
O17 V3 O20 110.16(17) . . ?
O25 V3 O20 138.03(16) . . ?
O17 V3 O12 108.02(18) . . ?
O25 V3 O12 77.46(15) . . ?
O20 V3 O12 77.88(15) . . ?
O17 V3 O15 106.33(18) . . ?
O25 V3 O15 90.83(15) . . ?
O20 V3 O15 90.78(14) . . ?
O12 V3 O15 145.65(15) . . ?
O17 V3 V2 112.60(14) . . ?
O25 V3 V2 110.94(11) . . ?
O20 V3 V2 39.18(11) . . ?
O12 V3 V2 38.82(10) . . ?
O15 V3 V2 124.22(10) . . ?
O17 V3 V1 112.73(15) . . ?
O25 V3 V1 38.93(11) . . ?
O20 V3 V1 110.81(11) . . ?
O12 V3 V1 38.59(11) . . ?
O15 V3 V1 123.74(11) . . ?
V2 V3 V1 74.70(3) . . ?
O21 V4 O16 108.58(18) . . ?
O21 V4 O14 106.55(19) . . ?
O16 V4 O14 93.26(16) . . ?
O21 V4 O8 109.0(2) . 7_566 ?
O16 V4 O8 79.05(15) . 7_566 ?
O14 V4 O8 144.21(16) . 7_566 ?
O21 V4 O29 108.21(18) . . ?
O16 V4 O29 143.17(16) . . ?
O14 V4 O29 77.91(15) . . ?
O8 V4 O29 87.52(15) 7_566 . ?
O21 V4 V5 111.51(15) . . ?
O16 V4 V5 39.86(11) . . ?
O14 V4 V5 126.61(12) . . ?
O8 V4 V5 39.40(10) 7_566 . ?
O29 V4 V5 121.26(11) . . ?
O21 V4 V6 110.17(15) . . ?
O16 V4 V6 125.56(13) . . ?
O14 V4 V6 39.58(11) . . ?
O8 V4 V6 120.65(11) 7_566 . ?
O29 V4 V6 38.46(11) . . ?
V5 V4 V6 138.19(4) . . ?
O3 V5 O8 110.33(19) . 7_566 ?
O3 V5 O22 108.79(18) . . ?
O8 V5 O22 139.25(16) 7_566 . ?
O3 V5 O16 108.92(18) . . ?
O8 V5 O16 78.91(15) 7_566 . ?
O22 V5 O16 78.13(15) . . ?
O3 V5 O7 104.21(18) . 7_566 ?
O8 V5 O7 89.86(14) 7_566 7_566 ?
O22 V5 O7 91.35(15) . 7_566 ?
O16 V5 O7 146.87(16) . 7_566 ?
O3 V5 V4 112.58(14) . . ?
O8 V5 V4 39.79(10) 7_566 . ?
O22 V5 V4 112.59(11) . . ?
O16 V5 V4 39.33(11) . . ?
O7 V5 V4 124.85(10) 7_566 . ?
O3 V5 V1 112.21(15) . . ?
O8 V5 V1 112.34(11) 7_566 . ?
O22 V5 V1 39.60(10) . . ?
O16 V5 V1 38.65(11) . . ?
O7 V5 V1 125.54(11) 7_566 . ?
V4 V5 V1 75.79(3) . . ?
O19 V6 O29 110.93(19) . . ?
O19 V6 O11 109.61(19) . . ?
O29 V6 O11 137.25(16) . . ?
O19 V6 O14 106.79(18) . . ?
O29 V6 O14 78.24(15) . . ?
O11 V6 O14 77.70(15) . . ?
O19 V6 O6 106.19(17) . . ?
O29 V6 O6 90.17(15) . . ?
O11 V6 O6 91.21(15) . . ?
O14 V6 O6 147.02(15) . . ?
O19 V6 V4 112.16(15) . . ?
O29 V6 V4 39.19(10) . . ?
O11 V6 V4 111.10(11) . . ?
O14 V6 V4 39.18(11) . . ?
O6 V6 V4 124.34(11) . . ?
O19 V6 V2 111.09(15) . . ?
O29 V6 V2 111.38(11) . . ?
O11 V6 V2 39.00(10) . . ?
O14 V6 V2 38.84(11) . . ?
O6 V6 V2 125.13(11) . . ?
V4 V6 V2 75.36(4) . . ?
B13 O1 B14 121.6(4) . . ?
B10 O2 B11 121.3(4) . 7_566 ?
B15 O4 B12 121.8(4) . . ?
B16 O5 B17 122.6(4) . . ?
B11 O6 B12 114.3(4) 7_566 7_566 ?
B11 O6 V6 120.5(3) 7_566 . ?
B12 O6 V6 122.5(3) 7_566 . ?
B10 O7 B14 113.5(4) . . ?
B10 O7 V5 121.1(3) . 7_566 ?
B14 O7 V5 121.5(3) . 7_566 ?
B8 O8 V5 131.3(3) . 7_566 ?
B8 O8 V4 127.7(3) . 7_566 ?
V5 O8 V4 100.81(16) 7_566 7_566 ?
B12 O9 B17 120.7(4) . . ?
B15 O10 B11 121.6(4) . . ?
B10 O11 V6 129.7(3) . . ?
B10 O11 V2 128.0(3) . . ?
V6 O11 V2 102.15(17) . . ?
V1 O12 V2 143.4(2) . . ?
V1 O12 V3 102.07(16) . . ?
V2 O12 V3 101.67(17) . . ?
B8 O13 B14 120.2(4) . . ?
V2 O14 V4 144.2(2) . . ?
V2 O14 V6 101.74(17) . . ?
V4 O14 V6 101.23(17) . . ?
B8 O15 B17 113.4(4) . . ?
B8 O15 V3 121.6(3) . . ?
B17 O15 V3 121.8(3) . . ?
V1 O16 V4 146.2(2) . . ?
V1 O16 V5 102.09(16) . . ?
V4 O16 V5 100.80(17) . . ?
B14 O20 V3 130.0(3) . . ?
B14 O20 V2 127.8(3) . . ?
V3 O20 V2 102.10(16) . . ?
B11 O22 V5 130.0(3) . . ?
B11 O22 V1 128.6(3) . . ?
V5 O22 V1 101.47(16) . . ?
B12 O25 V3 130.6(3) . . ?
B12 O25 V1 126.8(3) . . ?
V3 O25 V1 102.57(16) . . ?
B16 O26 B8 119.0(4) . . ?
B13 O28 B10 120.5(4) . . ?
B17 O29 V6 130.1(3) 7_566 . ?
B17 O29 V4 127.4(3) 7_566 . ?
V6 O29 V4 102.35(17) . . ?
O13 B8 O8 110.2(4) . . ?
O13 B8 O26 106.4(4) . . ?
O8 B8 O26 110.4(4) . . ?
O13 B8 O15 112.7(4) . . ?
O8 B8 O15 108.0(4) . . ?
O26 B8 O15 109.2(4) . . ?
O2 B10 O11 109.7(4) . . ?
O2 B10 O28 107.4(4) . . ?
O11 B10 O28 109.3(4) . . ?
O2 B10 O7 113.0(4) . . ?
O11 B10 O7 107.9(4) . . ?
O28 B10 O7 109.6(4) . . ?
O2 B11 O10 106.5(4) 7_566 . ?
O2 B11 O22 111.3(4) 7_566 . ?
O10 B11 O22 110.3(4) . . ?
O2 B11 O6 112.6(4) 7_566 7_566 ?
O10 B11 O6 108.7(4) . 7_566 ?
O22 B11 O6 107.4(4) . 7_566 ?
O9 B12 O4 108.9(4) . . ?
O9 B12 O25 110.6(4) . . ?
O4 B12 O25 109.2(4) . . ?
O9 B12 O6 111.0(4) . 7_566 ?
O4 B12 O6 108.7(4) . 7_566 ?
O25 B12 O6 108.4(4) . 7_566 ?
O1 B13 O28 122.8(5) . . ?
O1 B13 O27 117.5(5) . . ?
O28 B13 O27 119.7(5) . . ?
O13 B14 O1 107.5(4) . . ?
O13 B14 O20 110.1(4) . . ?
O1 B14 O20 110.0(4) . . ?
O13 B14 O7 112.3(4) . . ?
O1 B14 O7 108.5(4) . . ?
O20 B14 O7 108.4(4) . . ?
O10 B15 O4 122.7(5) . . ?
O10 B15 O30 115.6(5) . . ?
O4 B15 O30 121.7(5) . . ?
O5 B16 O26 124.1(5) . . ?
O5 B16 O24 120.2(5) . . ?
O26 B16 O24 115.7(5) . . ?
O5 B17 O9 108.5(4) . . ?
O5 B17 O29 109.8(4) . 7_566 ?
O9 B17 O29 110.1(4) . 7_566 ?
O5 B17 O15 108.2(4) . . ?
O9 B17 O15 112.8(4) . . ?
O29 B17 O15 107.6(4) 7_566 . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.41
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         2.052
_refine_diff_density_min         -1.178
_refine_diff_density_rms         0.157
