# 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 2021

####################################################################### 
# 
# 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 2045522'
loop_
_audit_author_name
_audit_author_address
'Lidija Andros Dubraja'
;Rudjer Boskovic Institute
Croatia
;
_audit_update_record             
;
2021-02-16 deposited with the CCDC.	2021-02-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H54 Cr2 N8 O31 V2'
_chemical_formula_weight         1444.87

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.0687 2.1097 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr -0.1635 2.4439 '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                   12.4561(6)
_cell_length_b                   17.1390(5)
_cell_length_c                   13.9847(7)
_cell_angle_alpha                92.281(3)
_cell_angle_beta                 81.867(4)
_cell_angle_gamma                96.178(3)
_cell_volume                     2937.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    109(2)
_cell_measurement_reflns_used    6626
_cell_measurement_theta_min      3.1620
_cell_measurement_theta_max      75.7360

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_F_000             1480
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    6.452
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.64097
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      109(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Nova (Cu) X-ray Source'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Ruby, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Ruby
_diffrn_detector_area_resol_mean 10.4323
_diffrn_reflns_number            20985
_diffrn_reflns_av_unetI/netI     0.0903
_diffrn_reflns_av_R_equivalents  0.0745
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.193
_diffrn_reflns_theta_max         76.504
_diffrn_reflns_theta_full        76.504
_diffrn_measured_fraction_theta_max 0.879
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.879
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.879
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             10868
_reflns_number_gt                7303
_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 1.171.39.46 (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2015)'
_computing_molecular_graphics    'MERCURY 2020.3.0'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_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)+(0.1128P)²+0.7999P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10868
_refine_ls_number_parameters     886
_refine_ls_number_restraints     34
_refine_ls_R_factor_all          0.1004
_refine_ls_R_factor_gt           0.0690
_refine_ls_wR_factor_ref         0.2115
_refine_ls_wR_factor_gt          0.1850
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.006
_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
C1 C 0.9800(4) 0.1120(4) 0.6019(5) 0.0445(14) Uani 1 1 d . . . . .
H1 H 0.993111 0.062940 0.621029 0.053 Uiso 1 1 calc R U . . .
C2 C 0.8791(5) 0.1217(4) 0.5789(5) 0.0494(15) Uani 1 1 d . . . . .
H2 H 0.824440 0.080048 0.582599 0.059 Uiso 1 1 calc R U . . .
C3 C 0.8602(5) 0.1946(4) 0.5500(5) 0.0518(16) Uani 1 1 d . . . . .
H3 H 0.793056 0.202015 0.531810 0.062 Uiso 1 1 calc R U . . .
C4 C 0.9406(5) 0.2558(4) 0.5482(5) 0.0482(15) Uani 1 1 d . . . . .
H4 H 0.927554 0.305508 0.531286 0.058 Uiso 1 1 calc R U . . .
C5 C 1.0427(5) 0.2432(4) 0.5721(5) 0.0433(13) Uani 1 1 d . . . . .
C6 C 1.1347(5) 0.3038(4) 0.5719(5) 0.0456(14) Uani 1 1 d . . . . .
C7 C 1.1339(6) 0.3805(4) 0.5421(5) 0.0548(17) Uani 1 1 d . . . . .
H7 H 1.071391 0.396167 0.522588 0.066 Uiso 1 1 calc R U . . .
C8 C 1.2250(7) 0.4324(4) 0.5418(5) 0.0606(19) Uani 1 1 d . . . . .
H8 H 1.225719 0.483414 0.521167 0.073 Uiso 1 1 calc R U . . .
C9 C 1.3178(6) 0.4075(4) 0.5730(5) 0.0563(17) Uani 1 1 d . . . . .
H9 H 1.380614 0.442016 0.573914 0.068 Uiso 1 1 calc R U . . .
C10 C 1.3147(5) 0.3308(3) 0.6026(5) 0.0500(15) Uani 1 1 d . . . . .
H10 H 1.376122 0.313971 0.622814 0.060 Uiso 1 1 calc R U . . .
C11 C 1.2401(4) 0.1119(3) 0.4341(4) 0.0383(12) Uani 1 1 d . . . . .
H11 H 1.167524 0.120580 0.434682 0.046 Uiso 1 1 calc R U . . .
C12 C 1.2947(5) 0.0800(4) 0.3529(5) 0.0473(14) Uani 1 1 d . . . . .
H12 H 1.259461 0.066440 0.299355 0.057 Uiso 1 1 calc R U . . .
C13 C 1.4030(5) 0.0680(4) 0.3512(5) 0.0484(15) Uani 1 1 d . . . . .
H13 H 1.441608 0.046647 0.296394 0.058 Uiso 1 1 calc R U . . .
C14 C 1.4531(5) 0.0883(3) 0.4323(5) 0.0435(14) Uani 1 1 d . . . . .
H14 H 1.526049 0.081155 0.432408 0.052 Uiso 1 1 calc R U . . .
C15 C 1.3940(4) 0.1190(3) 0.5124(4) 0.0352(12) Uani 1 1 d . . . . .
C16 C 1.4374(4) 0.1405(3) 0.6027(5) 0.0391(13) Uani 1 1 d . . . . .
C17 C 1.5442(5) 0.1351(4) 0.6173(5) 0.0485(15) Uani 1 1 d . . . . .
H17 H 1.593857 0.115551 0.568670 0.058 Uiso 1 1 calc R U . . .
C18 C 1.5749(5) 0.1590(5) 0.7046(6) 0.0610(19) Uani 1 1 d . . . . .
H18 H 1.646379 0.156375 0.715406 0.073 Uiso 1 1 calc R U . . .
C19 C 1.5004(5) 0.1872(5) 0.7772(6) 0.066(2) Uani 1 1 d . . . . .
H19 H 1.521362 0.203213 0.836790 0.079 Uiso 1 1 calc R U . . .
C20 C 1.3951(5) 0.1914(4) 0.7602(5) 0.0443(14) Uani 1 1 d . . . . .
H20 H 1.344505 0.210274 0.808586 0.053 Uiso 1 1 calc R U . . .
C21 C 0.7465(5) -0.1968(3) 0.8719(5) 0.0452(14) Uani 1 1 d . . . . .
H21 H 0.682936 -0.215801 0.847281 0.054 Uiso 1 1 calc R U . . .
C22 C 0.7591(6) -0.1199(4) 0.9045(5) 0.0554(17) Uani 1 1 d . . . . .
H22 H 0.703285 -0.087949 0.904474 0.067 Uiso 1 1 calc R U . . .
C23 C 0.8562(6) -0.0906(4) 0.9374(5) 0.0544(17) Uani 1 1 d . . . . .
H23 H 0.867066 -0.038109 0.956537 0.065 Uiso 1 1 calc R U . . .
C24 C 0.9361(5) -0.1394(4) 0.9416(5) 0.0501(15) Uani 1 1 d . . . . .
H24 H 1.000431 -0.121001 0.965460 0.060 Uiso 1 1 calc R U . . .
C25 C 0.9184(5) -0.2162(3) 0.9097(4) 0.0416(13) Uani 1 1 d . . . . .
C26 C 0.9969(5) -0.2741(4) 0.9118(5) 0.0423(13) Uani 1 1 d . . . . .
C27 C 1.0999(5) -0.2568(4) 0.9401(5) 0.0459(14) Uani 1 1 d . . . . .
H27 H 1.121850 -0.206470 0.961932 0.055 Uiso 1 1 calc R U . . .
C28 C 1.1685(5) -0.3146(4) 0.9357(5) 0.0533(16) Uani 1 1 d . . . . .
H28 H 1.237687 -0.303595 0.953800 0.064 Uiso 1 1 calc R U . . .
C29 C 1.1343(5) -0.3895(4) 0.9041(5) 0.0458(14) Uani 1 1 d . . . . .
H29 H 1.179485 -0.429597 0.901174 0.055 Uiso 1 1 calc R U . . .
C30 C 1.0311(4) -0.4034(3) 0.8769(5) 0.0420(13) Uani 1 1 d . . . . .
H30 H 1.008073 -0.453433 0.854807 0.050 Uiso 1 1 calc R U . . .
C31 C 0.6279(5) -0.3710(4) 0.7178(5) 0.0443(14) Uani 1 1 d . . . . .
H31 H 0.682368 -0.361708 0.665554 0.053 Uiso 1 1 calc R U . . .
C32 C 0.5202(5) -0.3836(4) 0.7012(5) 0.0510(16) Uani 1 1 d . . . . .
H32 H 0.502664 -0.382347 0.638795 0.061 Uiso 1 1 calc R U . . .
C33 C 0.4398(5) -0.3978(4) 0.7782(5) 0.0486(15) Uani 1 1 d . . . . .
H33 H 0.367091 -0.406784 0.768708 0.058 Uiso 1 1 calc R U . . .
C34 C 0.4688(5) -0.3987(4) 0.8706(5) 0.0481(15) Uani 1 1 d . . . . .
H34 H 0.415709 -0.407477 0.923970 0.058 Uiso 1 1 calc R U . . .
C35 C 0.5772(4) -0.3863(3) 0.8816(4) 0.0372(12) Uani 1 1 d . . . . .
C36 C 0.6190(4) -0.3898(3) 0.9765(4) 0.0381(12) Uani 1 1 d . . . . .
C37 C 0.5527(5) -0.3995(4) 1.0639(5) 0.0480(15) Uani 1 1 d . . . . .
H37 H 0.477313 -0.402584 1.067078 0.058 Uiso 1 1 calc R U . . .
C38 C 0.6008(5) -0.4046(4) 1.1471(5) 0.0448(14) Uani 1 1 d . . . . .
H38 H 0.558133 -0.408909 1.207196 0.054 Uiso 1 1 calc R U . . .
C39 C 0.7119(5) -0.4031(4) 1.1389(5) 0.0446(14) Uani 1 1 d . . . . .
H39 H 0.745188 -0.409441 1.193232 0.054 Uiso 1 1 calc R U . . .
C40 C 0.7738(5) -0.3923(3) 1.0504(5) 0.0426(13) Uani 1 1 d . . . . .
H40 H 0.849228 -0.389903 1.046140 0.051 Uiso 1 1 calc R U . . .
C41 C 1.1212(4) -0.1990(3) 0.6900(4) 0.0366(12) Uani 1 1 d . . . . .
C42 C 1.0287(4) -0.1492(3) 0.6701(4) 0.0382(12) Uani 1 1 d . . . . .
C43 C 1.2289(5) -0.0527(3) 0.8743(5) 0.0448(14) Uani 1 1 d . . . . .
C44 C 1.3454(5) -0.0335(3) 0.8185(5) 0.0421(13) Uani 1 1 d . . . . .
C45 C 0.8753(4) -0.7158(3) 0.8046(4) 0.0391(12) Uani 1 1 d . . . . .
C46 C 0.9697(4) -0.6521(3) 0.8141(5) 0.0403(13) Uani 1 1 d . . . . .
C47 C 0.7571(5) -0.6035(3) 0.6218(5) 0.0472(15) Uani 1 1 d . . . . .
C48 C 0.6452(5) -0.5962(4) 0.6817(6) 0.0513(16) Uani 1 1 d . . . . .
N1 N 1.0609(4) 0.1709(3) 0.5979(4) 0.0379(10) Uani 1 1 d . . . . .
N2 N 1.2245(4) 0.2809(3) 0.6024(3) 0.0357(10) Uani 1 1 d . . . . .
N3 N 1.2882(3) 0.1311(3) 0.5130(3) 0.0348(10) Uani 1 1 d . . . . .
N4 N 1.3648(3) 0.1683(3) 0.6742(4) 0.0382(10) Uani 1 1 d . . . . .
N5 N 0.8238(4) -0.2447(3) 0.8750(4) 0.0418(11) Uani 1 1 d . . . . .
N6 N 0.9633(4) -0.3476(3) 0.8811(3) 0.0361(10) Uani 1 1 d . . . . .
N7 N 0.6562(4) -0.3718(3) 0.8069(4) 0.0394(11) Uani 1 1 d . . . . .
N8 N 0.7296(4) -0.3852(3) 0.9704(4) 0.0373(10) Uani 1 1 d . . . . .
O1 O 1.1821(3) 0.0597(2) 0.6792(3) 0.0371(8) Uani 1 1 d . . . . .
O2 O 0.8204(3) -0.4700(2) 0.8039(3) 0.0378(8) Uani 1 1 d . . . . .
O3 O 1.1459(3) 0.1946(2) 0.7765(3) 0.0381(8) Uani 1 1 d D . . . .
O4 O 0.8740(3) -0.3359(2) 0.7018(3) 0.0384(9) Uani 1 1 d D . . . .
O5 O 1.2769(3) -0.0433(2) 0.5610(3) 0.0396(9) Uani 1 1 d . . . . .
O6 O 0.7287(3) -0.5687(2) 0.9355(3) 0.0408(9) Uani 1 1 d . . . . .
O7 O 1.2131(3) -0.1565(2) 0.6879(3) 0.0422(9) Uani 1 1 d . . . . .
O8 O 1.1013(3) -0.2681(2) 0.7026(3) 0.0446(10) Uani 1 1 d D . . . .
O9 O 0.9356(3) -0.1809(2) 0.6707(3) 0.0436(10) Uani 1 1 d . . . . .
O10 O 1.0614(3) -0.0763(2) 0.6533(3) 0.0397(9) Uani 1 1 d . . . . .
O11 O 1.1545(3) -0.0476(2) 0.8216(3) 0.0437(10) Uani 1 1 d . . . . .
O12 O 1.2182(3) -0.0708(3) 0.9597(3) 0.0478(10) Uani 1 1 d . . . . .
O13 O 1.4256(3) -0.0295(3) 0.8627(4) 0.0523(11) Uani 1 1 d . . . . .
O14 O 1.3503(3) -0.0244(2) 0.7276(3) 0.0388(9) Uani 1 1 d . . . . .
O15 O 0.7818(3) -0.6909(2) 0.8163(3) 0.0409(9) Uani 1 1 d . . . . .
O16 O 0.8959(3) -0.7842(2) 0.7903(3) 0.0466(10) Uani 1 1 d . . . . .
O17 O 1.0650(3) -0.6659(2) 0.8041(3) 0.0431(10) Uani 1 1 d . . . . .
O18 O 0.9385(3) -0.5837(2) 0.8349(3) 0.0417(9) Uani 1 1 d . . . . .
O19 O 0.8374(3) -0.5875(2) 0.6704(3) 0.0448(10) Uani 1 1 d . . . . .
O20 O 0.7610(4) -0.6226(3) 0.5360(4) 0.0568(12) Uani 1 1 d . . . . .
O21 O 0.5614(4) -0.6028(4) 0.6442(4) 0.0711(15) Uani 1 1 d . . . . .
O22 O 0.6471(3) -0.5819(2) 0.7722(3) 0.0422(9) Uani 1 1 d . . . . .
O24 O 0.9908(3) -0.4452(3) 0.6235(4) 0.0469(10) Uani 1 1 d D . . . .
O25 O 0.8113(4) -0.9375(3) 0.7966(4) 0.0506(11) Uani 1 1 d D . . . .
O26 O 1.2033(4) -0.4054(3) 0.6640(4) 0.0559(12) Uani 1 1 d D . . . .
O27 O 0.6141(4) 0.0606(3) 0.9234(4) 0.0597(13) Uani 1 1 d D . . . .
O28 O 0.6317(4) -0.7738(3) 0.9598(4) 0.0659(14) Uani 1 1 d D . . . .
O29 O 0.5096(5) -0.8078(3) 1.1398(5) 0.0716(15) Uani 1 1 d D . . . .
O30 O 1.3846(5) -0.2430(4) 0.6974(5) 0.0817(18) Uani 1 1 d D . . . .
O31 O 1.4708(5) -0.2877(4) 0.5151(5) 0.0832(18) Uani 1 1 d D . . . .
V1 V 1.21281(7) -0.03637(5) 0.66850(7) 0.0352(2) Uani 1 1 d . . . . .
V2 V 0.78512(7) -0.56745(5) 0.82502(8) 0.0364(2) Uani 1 1 d . . . . .
Cr1 Cr 1.20863(7) 0.16523(5) 0.64314(7) 0.0338(2) Uani 1 1 d . . . . .
Cr2 Cr 0.81315(7) -0.36201(5) 0.83619(7) 0.0351(2) Uani 1 1 d . . . . .
O23 O 0.0190(3) 0.0759(3) 0.8575(3) 0.0452(10) Uani 1 1 d D . . . .
H3A H 1.104(5) 0.152(2) 0.789(6) 0.068 Uiso 1 1 d D U . . .
H3B H 1.118(5) 0.238(2) 0.772(6) 0.068 Uiso 1 1 d D U . . .
H4A H 0.913(5) -0.292(2) 0.701(6) 0.068 Uiso 1 1 d D U . . .
H4B H 0.911(5) -0.375(3) 0.686(6) 0.068 Uiso 1 1 d D U . . .
H23A H 0.060(5) 0.040(3) 0.838(6) 0.068 Uiso 1 1 d D U . . .
H23B H -0.049(2) 0.069(4) 0.853(6) 0.068 Uiso 1 1 d D U . . .
H24A H 0.947(5) -0.484(3) 0.646(5) 0.068 Uiso 1 1 d D U . . .
H24B H 1.055(3) -0.438(4) 0.639(5) 0.068 Uiso 1 1 d D U . . .
H25A H 0.761(5) -0.944(4) 0.845(4) 0.068 Uiso 1 1 d D U . . .
H25B H 0.827(6) -0.8898(19) 0.778(5) 0.068 Uiso 1 1 d D U . . .
H26A H 1.166(5) -0.364(2) 0.679(6) 0.068 Uiso 1 1 d D U . . .
H26B H 1.269(3) -0.388(4) 0.641(6) 0.068 Uiso 1 1 d D U . . .
H27A H 0.563(5) 0.026(3) 0.909(5) 0.068 Uiso 1 1 d D U . . .
H27B H 0.638(6) 0.060(4) 0.978(3) 0.068 Uiso 1 1 d D U . . .
H29A H 0.546(6) -0.785(4) 1.087(4) 0.068 Uiso 1 1 d D U . . .
H29B H 0.521(6) -0.8572(17) 1.142(5) 0.068 Uiso 1 1 d D U . . .
H30A H 1.428(5) -0.221(4) 0.738(5) 0.068 Uiso 1 1 d D U . . .
H30B H 1.326(4) -0.219(4) 0.702(5) 0.068 Uiso 1 1 d D U . . .
H31A H 1.431(5) -0.324(4) 0.485(5) 0.068 Uiso 1 1 d D U . . .
H31B H 1.428(5) -0.271(4) 0.567(4) 0.068 Uiso 1 1 d D U . . .
H28A H 0.679(5) -0.751(4) 0.916(4) 0.068 Uiso 1 1 d D U . . .
H28B H 0.608(6) -0.8217(19) 0.949(5) 0.068 Uiso 1 1 d D 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
C1 N1 1.344(7) . ?
C1 C2 1.369(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.382(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.370(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.399(8) . ?
C4 H4 0.9300 . ?
C5 N1 1.355(7) . ?
C5 C6 1.461(9) . ?
C6 N2 1.352(8) . ?
C6 C7 1.397(9) . ?
C7 C8 1.364(11) . ?
C7 H7 0.9300 . ?
C8 C9 1.404(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.388(9) . ?
C9 H9 0.9300 . ?
C10 N2 1.336(7) . ?
C10 H10 0.9300 . ?
C11 N3 1.342(7) . ?
C11 C12 1.364(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.383(8) . ?
C12 H12 0.9300 . ?
C13 C14 1.386(9) . ?
C13 H13 0.9300 . ?
C14 C15 1.370(8) . ?
C14 H14 0.9300 . ?
C15 N3 1.355(7) . ?
C15 C16 1.461(9) . ?
C16 N4 1.358(7) . ?
C16 C17 1.388(8) . ?
C17 C18 1.365(10) . ?
C17 H17 0.9300 . ?
C18 C19 1.384(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.376(9) . ?
C19 H19 0.9300 . ?
C20 N4 1.343(8) . ?
C20 H20 0.9300 . ?
C21 N5 1.337(7) . ?
C21 C22 1.377(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.391(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.376(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.379(9) . ?
C24 H24 0.9300 . ?
C25 N5 1.371(8) . ?
C25 C26 1.470(8) . ?
C26 N6 1.356(8) . ?
C26 C27 1.394(8) . ?
C27 C28 1.371(9) . ?
C27 H27 0.9300 . ?
C28 C29 1.384(9) . ?
C28 H28 0.9300 . ?
C29 C30 1.385(8) . ?
C29 H29 0.9300 . ?
C30 N6 1.337(7) . ?
C30 H30 0.9300 . ?
C31 N7 1.343(8) . ?
C31 C32 1.387(9) . ?
C31 H31 0.9300 . ?
C32 C33 1.373(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.391(10) . ?
C33 H33 0.9300 . ?
C34 C35 1.373(8) . ?
C34 H34 0.9300 . ?
C35 N7 1.341(7) . ?
C35 C36 1.499(8) . ?
C36 N8 1.362(7) . ?
C36 C37 1.379(8) . ?
C37 C38 1.391(9) . ?
C37 H37 0.9300 . ?
C38 C39 1.371(8) . ?
C38 H38 0.9300 . ?
C39 C40 1.370(8) . ?
C39 H39 0.9300 . ?
C40 N8 1.330(8) . ?
C40 H40 0.9300 . ?
C41 O8 1.200(6) . ?
C41 O7 1.286(6) . ?
C41 C42 1.567(7) . ?
C42 O9 1.225(7) . ?
C42 O10 1.291(6) . ?
C43 O12 1.231(8) . ?
C43 O11 1.275(7) . ?
C43 C44 1.555(8) . ?
C44 O13 1.242(7) . ?
C44 O14 1.279(7) . ?
C45 O16 1.230(7) . ?
C45 O15 1.269(7) . ?
C45 C46 1.532(8) . ?
C46 O17 1.223(7) . ?
C46 O18 1.284(7) . ?
C47 O20 1.226(8) . ?
C47 O19 1.287(8) . ?
C47 C48 1.536(9) . ?
C48 O21 1.226(8) . ?
C48 O22 1.282(8) . ?
N1 Cr1 2.042(4) . ?
N2 Cr1 2.066(5) . ?
N3 Cr1 2.041(5) . ?
N4 Cr1 2.047(4) . ?
N5 Cr2 2.056(5) . ?
N6 Cr2 2.043(5) . ?
N7 Cr2 2.042(4) . ?
N8 Cr2 2.045(5) . ?
O1 V1 1.726(4) . ?
O1 Cr1 1.879(4) . ?
O2 V2 1.707(4) . ?
O2 Cr2 1.897(4) . ?
O3 Cr1 1.985(4) . ?
O3 H3A 0.86(2) . ?
O3 H3B 0.86(2) . ?
O4 Cr2 1.974(4) . ?
O4 H4A 0.85(2) . ?
O4 H4B 0.86(2) . ?
O5 V1 1.606(4) . ?
O6 V2 1.605(4) . ?
O7 V1 2.088(4) . ?
O10 V1 1.973(4) . ?
O11 V1 2.170(4) . ?
O14 V1 1.992(4) . ?
O15 V2 2.111(4) . ?
O18 V2 1.985(4) . ?
O19 V2 2.192(4) . ?
O22 V2 1.953(4) . ?
O24 H24A 0.85(2) . ?
O24 H24B 0.85(2) . ?
O25 H25A 0.86(2) . ?
O25 H25B 0.86(2) . ?
O26 H26A 0.883(15) . ?
O26 H26B 0.86(2) . ?
O27 H27A 0.86(2) . ?
O27 H27B 0.85(2) . ?
O28 H28A 0.86(2) . ?
O28 H28B 0.86(2) . ?
O29 H29A 0.89(2) . ?
O29 H29B 0.88(2) . ?
O30 H30A 0.88(2) . ?
O30 H30B 0.88(2) . ?
O31 H31A 0.88(2) . ?
O31 H31B 0.89(2) . ?
O23 H23A 0.85(2) . ?
O23 H23B 0.85(2) . ?

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
N1 C1 C2 122.3(6) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C1 C2 C3 118.7(6) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 119.7(6) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 119.6(6) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
N1 C5 C4 119.9(6) . . ?
N1 C5 C6 115.6(5) . . ?
C4 C5 C6 124.5(6) . . ?
N2 C6 C7 120.5(6) . . ?
N2 C6 C5 115.5(5) . . ?
C7 C6 C5 124.1(6) . . ?
C8 C7 C6 119.9(7) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C7 C8 C9 118.8(6) . . ?
C7 C8 H8 120.6 . . ?
C9 C8 H8 120.6 . . ?
C10 C9 C8 119.3(7) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
N2 C10 C9 120.9(6) . . ?
N2 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
N3 C11 C12 121.8(5) . . ?
N3 C11 H11 119.1 . . ?
C12 C11 H11 119.1 . . ?
C11 C12 C13 119.3(6) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C12 C13 C14 119.1(6) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 H13 120.5 . . ?
C15 C14 C13 119.2(5) . . ?
C15 C14 H14 120.4 . . ?
C13 C14 H14 120.4 . . ?
N3 C15 C14 121.2(6) . . ?
N3 C15 C16 114.9(5) . . ?
C14 C15 C16 124.0(5) . . ?
N4 C16 C17 120.5(6) . . ?
N4 C16 C15 114.8(5) . . ?
C17 C16 C15 124.6(6) . . ?
C18 C17 C16 118.6(6) . . ?
C18 C17 H17 120.7 . . ?
C16 C17 H17 120.7 . . ?
C17 C18 C19 120.5(6) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C18 119.2(7) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
N4 C20 C19 120.4(6) . . ?
N4 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
N5 C21 C22 121.4(6) . . ?
N5 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?
C21 C22 C23 119.2(6) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C24 C23 C22 120.0(6) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 118.3(6) . . ?
C23 C24 H24 120.9 . . ?
C25 C24 H24 120.9 . . ?
N5 C25 C24 121.8(6) . . ?
N5 C25 C26 114.8(5) . . ?
C24 C25 C26 123.3(6) . . ?
N6 C26 C27 120.8(6) . . ?
N6 C26 C25 114.9(5) . . ?
C27 C26 C25 124.3(6) . . ?
C28 C27 C26 119.5(6) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C27 C28 C29 119.6(6) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C28 C29 C30 118.4(6) . . ?
C28 C29 H29 120.8 . . ?
C30 C29 H29 120.8 . . ?
N6 C30 C29 122.6(6) . . ?
N6 C30 H30 118.7 . . ?
C29 C30 H30 118.7 . . ?
N7 C31 C32 122.2(6) . . ?
N7 C31 H31 118.9 . . ?
C32 C31 H31 118.9 . . ?
C33 C32 C31 118.9(7) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C32 C33 C34 119.1(6) . . ?
C32 C33 H33 120.5 . . ?
C34 C33 H33 120.5 . . ?
C35 C34 C33 118.8(6) . . ?
C35 C34 H34 120.6 . . ?
C33 C34 H34 120.6 . . ?
N7 C35 C34 122.5(6) . . ?
N7 C35 C36 113.6(5) . . ?
C34 C35 C36 123.8(5) . . ?
N8 C36 C37 121.5(6) . . ?
N8 C36 C35 114.6(5) . . ?
C37 C36 C35 123.9(5) . . ?
C36 C37 C38 118.8(5) . . ?
C36 C37 H37 120.6 . . ?
C38 C37 H37 120.6 . . ?
C39 C38 C37 118.9(6) . . ?
C39 C38 H38 120.5 . . ?
C37 C38 H38 120.5 . . ?
C38 C39 C40 119.6(6) . . ?
C38 C39 H39 120.2 . . ?
C40 C39 H39 120.2 . . ?
N8 C40 C39 122.3(5) . . ?
N8 C40 H40 118.9 . . ?
C39 C40 H40 118.9 . . ?
O8 C41 O7 128.7(5) . . ?
O8 C41 C42 119.8(5) . . ?
O7 C41 C42 111.5(4) . . ?
O9 C42 O10 126.5(5) . . ?
O9 C42 C41 119.5(5) . . ?
O10 C42 C41 114.0(4) . . ?
O12 C43 O11 128.2(6) . . ?
O12 C43 C44 119.4(5) . . ?
O11 C43 C44 112.4(6) . . ?
O13 C44 O14 124.8(6) . . ?
O13 C44 C43 119.6(6) . . ?
O14 C44 C43 115.6(5) . . ?
O16 C45 O15 127.0(5) . . ?
O16 C45 C46 118.5(5) . . ?
O15 C45 C46 114.4(5) . . ?
O17 C46 O18 123.8(5) . . ?
O17 C46 C45 122.8(5) . . ?
O18 C46 C45 113.4(5) . . ?
O20 C47 O19 127.8(6) . . ?
O20 C47 C48 118.7(6) . . ?
O19 C47 C48 113.5(6) . . ?
O21 C48 O22 123.4(6) . . ?
O21 C48 C47 121.5(7) . . ?
O22 C48 C47 115.0(6) . . ?
C1 N1 C5 119.7(5) . . ?
C1 N1 Cr1 125.1(4) . . ?
C5 N1 Cr1 114.8(4) . . ?
C10 N2 C6 120.6(5) . . ?
C10 N2 Cr1 125.1(4) . . ?
C6 N2 Cr1 114.3(4) . . ?
C11 N3 C15 119.4(5) . . ?
C11 N3 Cr1 124.6(4) . . ?
C15 N3 Cr1 115.5(4) . . ?
C20 N4 C16 120.7(5) . . ?
C20 N4 Cr1 124.0(4) . . ?
C16 N4 Cr1 115.2(4) . . ?
C21 N5 C25 119.2(5) . . ?
C21 N5 Cr2 125.8(4) . . ?
C25 N5 Cr2 115.0(4) . . ?
C30 N6 C26 119.0(5) . . ?
C30 N6 Cr2 124.8(4) . . ?
C26 N6 Cr2 116.0(4) . . ?
C35 N7 C31 118.5(5) . . ?
C35 N7 Cr2 116.9(4) . . ?
C31 N7 Cr2 124.4(4) . . ?
C40 N8 C36 118.8(5) . . ?
C40 N8 Cr2 125.9(4) . . ?
C36 N8 Cr2 115.2(4) . . ?
V1 O1 Cr1 151.4(2) . . ?
V2 O2 Cr2 152.4(2) . . ?
Cr1 O3 H3A 98(5) . . ?
Cr1 O3 H3B 106(5) . . ?
H3A O3 H3B 120(5) . . ?
Cr2 O4 H4A 110(5) . . ?
Cr2 O4 H4B 100(5) . . ?
H4A O4 H4B 114(5) . . ?
C41 O7 V1 116.9(3) . . ?
C42 O10 V1 119.0(3) . . ?
C43 O11 V1 114.6(4) . . ?
C44 O14 V1 119.1(3) . . ?
C45 O15 V2 114.3(3) . . ?
C46 O18 V2 118.4(4) . . ?
C47 O19 V2 113.1(4) . . ?
C48 O22 V2 120.8(4) . . ?
H24A O24 H24B 120(5) . . ?
H25A O25 H25B 116(5) . . ?
H26A O26 H26B 108(4) . . ?
H27A O27 H27B 120(5) . . ?
H28A O28 H28B 118(5) . . ?
H29A O29 H29B 112(5) . . ?
H30A O30 H30B 110(4) . . ?
H31A O31 H31B 107(4) . . ?
O5 V1 O1 104.10(19) . . ?
O5 V1 O10 103.39(19) . . ?
O1 V1 O10 92.41(17) . . ?
O5 V1 O14 92.72(18) . . ?
O1 V1 O14 99.21(17) . . ?
O10 V1 O14 157.24(17) . . ?
O5 V1 O7 91.28(18) . . ?
O1 V1 O7 163.56(18) . . ?
O10 V1 O7 78.17(15) . . ?
O14 V1 O7 85.60(16) . . ?
O5 V1 O11 165.46(18) . . ?
O1 V1 O11 87.97(18) . . ?
O10 V1 O11 83.84(16) . . ?
O14 V1 O11 77.14(16) . . ?
O7 V1 O11 77.73(17) . . ?
O6 V2 O2 103.7(2) . . ?
O6 V2 O22 94.37(19) . . ?
O2 V2 O22 99.64(18) . . ?
O6 V2 O18 103.06(19) . . ?
O2 V2 O18 91.35(17) . . ?
O22 V2 O18 156.60(18) . . ?
O6 V2 O15 92.43(19) . . ?
O2 V2 O15 162.19(18) . . ?
O22 V2 O15 86.34(16) . . ?
O18 V2 O15 77.54(15) . . ?
O6 V2 O19 167.85(18) . . ?
O2 V2 O19 86.51(18) . . ?
O22 V2 O19 77.26(17) . . ?
O18 V2 O19 82.92(17) . . ?
O15 V2 O19 78.41(16) . . ?
O1 Cr1 O3 87.92(17) . . ?
O1 Cr1 N3 89.70(18) . . ?
O3 Cr1 N3 173.29(17) . . ?
O1 Cr1 N1 95.87(18) . . ?
O3 Cr1 N1 89.91(18) . . ?
N3 Cr1 N1 96.58(19) . . ?
O1 Cr1 N4 89.83(18) . . ?
O3 Cr1 N4 94.70(18) . . ?
N3 Cr1 N4 79.02(19) . . ?
N1 Cr1 N4 172.8(2) . . ?
O1 Cr1 N2 175.37(17) . . ?
O3 Cr1 N2 91.18(18) . . ?
N3 Cr1 N2 91.69(18) . . ?
N1 Cr1 N2 79.58(19) . . ?
N4 Cr1 N2 94.78(18) . . ?
O2 Cr2 O4 89.49(17) . . ?
O2 Cr2 N7 89.72(18) . . ?
O4 Cr2 N7 92.96(18) . . ?
O2 Cr2 N6 93.91(18) . . ?
O4 Cr2 N6 92.63(17) . . ?
N7 Cr2 N6 173.4(2) . . ?
O2 Cr2 N8 92.77(18) . . ?
O4 Cr2 N8 171.88(17) . . ?
N7 Cr2 N8 79.26(19) . . ?
N6 Cr2 N8 94.99(18) . . ?
O2 Cr2 N5 173.21(18) . . ?
O4 Cr2 N5 90.36(19) . . ?
N7 Cr2 N5 97.07(19) . . ?
N6 Cr2 N5 79.32(19) . . ?
N8 Cr2 N5 88.31(19) . . ?
H23A O23 H23B 120(5) . . ?

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
N1 C1 C2 C3 0.4(10) . . . . ?
C1 C2 C3 C4 -2.3(10) . . . . ?
C2 C3 C4 C5 2.5(10) . . . . ?
C3 C4 C5 N1 -0.8(10) . . . . ?
C3 C4 C5 C6 179.4(6) . . . . ?
N1 C5 C6 N2 -3.4(8) . . . . ?
C4 C5 C6 N2 176.5(6) . . . . ?
N1 C5 C6 C7 176.2(6) . . . . ?
C4 C5 C6 C7 -4.0(11) . . . . ?
N2 C6 C7 C8 1.4(10) . . . . ?
C5 C6 C7 C8 -178.1(6) . . . . ?
C6 C7 C8 C9 -1.0(11) . . . . ?
C7 C8 C9 C10 0.5(11) . . . . ?
C8 C9 C10 N2 -0.6(11) . . . . ?
N3 C11 C12 C13 -0.9(10) . . . . ?
C11 C12 C13 C14 0.4(10) . . . . ?
C12 C13 C14 C15 0.6(9) . . . . ?
C13 C14 C15 N3 -1.2(8) . . . . ?
C13 C14 C15 C16 178.3(5) . . . . ?
N3 C15 C16 N4 0.9(7) . . . . ?
C14 C15 C16 N4 -178.5(5) . . . . ?
N3 C15 C16 C17 -178.1(6) . . . . ?
C14 C15 C16 C17 2.4(9) . . . . ?
N4 C16 C17 C18 -0.7(10) . . . . ?
C15 C16 C17 C18 178.3(6) . . . . ?
C16 C17 C18 C19 0.7(12) . . . . ?
C17 C18 C19 C20 -0.4(13) . . . . ?
C18 C19 C20 N4 0.0(12) . . . . ?
N5 C21 C22 C23 2.8(10) . . . . ?
C21 C22 C23 C24 -3.2(11) . . . . ?
C22 C23 C24 C25 2.1(10) . . . . ?
C23 C24 C25 N5 -0.5(10) . . . . ?
C23 C24 C25 C26 -179.2(6) . . . . ?
N5 C25 C26 N6 -1.4(8) . . . . ?
C24 C25 C26 N6 177.4(6) . . . . ?
N5 C25 C26 C27 177.0(6) . . . . ?
C24 C25 C26 C27 -4.3(10) . . . . ?
N6 C26 C27 C28 0.9(10) . . . . ?
C25 C26 C27 C28 -177.4(6) . . . . ?
C26 C27 C28 C29 -0.7(10) . . . . ?
C27 C28 C29 C30 0.6(10) . . . . ?
C28 C29 C30 N6 -0.8(10) . . . . ?
N7 C31 C32 C33 -0.4(10) . . . . ?
C31 C32 C33 C34 0.5(10) . . . . ?
C32 C33 C34 C35 -0.9(9) . . . . ?
C33 C34 C35 N7 1.4(9) . . . . ?
C33 C34 C35 C36 -176.8(5) . . . . ?
N7 C35 C36 N8 -5.8(7) . . . . ?
C34 C35 C36 N8 172.5(5) . . . . ?
N7 C35 C36 C37 176.2(5) . . . . ?
C34 C35 C36 C37 -5.6(9) . . . . ?
N8 C36 C37 C38 0.0(9) . . . . ?
C35 C36 C37 C38 177.9(6) . . . . ?
C36 C37 C38 C39 -2.7(9) . . . . ?
C37 C38 C39 C40 3.6(9) . . . . ?
C38 C39 C40 N8 -1.9(9) . . . . ?
O8 C41 C42 O9 2.4(9) . . . . ?
O7 C41 C42 O9 -179.2(6) . . . . ?
O8 C41 C42 O10 -176.9(5) . . . . ?
O7 C41 C42 O10 1.5(7) . . . . ?
O12 C43 C44 O13 -6.5(9) . . . . ?
O11 C43 C44 O13 173.8(5) . . . . ?
O12 C43 C44 O14 172.1(5) . . . . ?
O11 C43 C44 O14 -7.6(7) . . . . ?
O16 C45 C46 O17 3.1(10) . . . . ?
O15 C45 C46 O17 -179.4(6) . . . . ?
O16 C45 C46 O18 -175.9(6) . . . . ?
O15 C45 C46 O18 1.7(8) . . . . ?
O20 C47 C48 O21 -6.0(10) . . . . ?
O19 C47 C48 O21 173.6(6) . . . . ?
O20 C47 C48 O22 174.9(6) . . . . ?
O19 C47 C48 O22 -5.5(8) . . . . ?
C2 C1 N1 C5 1.3(10) . . . . ?
C2 C1 N1 Cr1 173.7(5) . . . . ?
C4 C5 N1 C1 -1.1(9) . . . . ?
C6 C5 N1 C1 178.7(6) . . . . ?
C4 C5 N1 Cr1 -174.3(5) . . . . ?
C6 C5 N1 Cr1 5.6(7) . . . . ?
C9 C10 N2 C6 1.0(10) . . . . ?
C9 C10 N2 Cr1 179.4(5) . . . . ?
C7 C6 N2 C10 -1.4(9) . . . . ?
C5 C6 N2 C10 178.1(6) . . . . ?
C7 C6 N2 Cr1 180.0(5) . . . . ?
C5 C6 N2 Cr1 -0.5(7) . . . . ?
C12 C11 N3 C15 0.3(8) . . . . ?
C12 C11 N3 Cr1 -171.4(5) . . . . ?
C14 C15 N3 C11 0.7(8) . . . . ?
C16 C15 N3 C11 -178.8(5) . . . . ?
C14 C15 N3 Cr1 173.2(4) . . . . ?
C16 C15 N3 Cr1 -6.3(6) . . . . ?
C19 C20 N4 C16 0.0(10) . . . . ?
C19 C20 N4 Cr1 176.1(6) . . . . ?
C17 C16 N4 C20 0.3(9) . . . . ?
C15 C16 N4 C20 -178.8(5) . . . . ?
C17 C16 N4 Cr1 -176.1(5) . . . . ?
C15 C16 N4 Cr1 4.8(6) . . . . ?
C22 C21 N5 C25 -1.2(9) . . . . ?
C22 C21 N5 Cr2 176.4(5) . . . . ?
C24 C25 N5 C21 0.0(9) . . . . ?
C26 C25 N5 C21 178.8(5) . . . . ?
C24 C25 N5 Cr2 -177.8(5) . . . . ?
C26 C25 N5 Cr2 1.0(7) . . . . ?
C29 C30 N6 C26 1.0(9) . . . . ?
C29 C30 N6 Cr2 176.9(5) . . . . ?
C27 C26 N6 C30 -1.0(9) . . . . ?
C25 C26 N6 C30 177.4(5) . . . . ?
C27 C26 N6 Cr2 -177.3(5) . . . . ?
C25 C26 N6 Cr2 1.1(7) . . . . ?
C34 C35 N7 C31 -1.3(8) . . . . ?
C36 C35 N7 C31 177.0(5) . . . . ?
C34 C35 N7 Cr2 -176.1(5) . . . . ?
C36 C35 N7 Cr2 2.2(6) . . . . ?
C32 C31 N7 C35 0.8(9) . . . . ?
C32 C31 N7 Cr2 175.2(5) . . . . ?
C39 C40 N8 C36 -0.9(8) . . . . ?
C39 C40 N8 Cr2 175.8(4) . . . . ?
C37 C36 N8 C40 1.8(8) . . . . ?
C35 C36 N8 C40 -176.3(5) . . . . ?
C37 C36 N8 Cr2 -175.2(4) . . . . ?
C35 C36 N8 Cr2 6.7(6) . . . . ?
O8 C41 O7 V1 -178.0(5) . . . . ?
C42 C41 O7 V1 3.8(6) . . . . ?
O9 C42 O10 V1 174.3(5) . . . . ?
C41 C42 O10 V1 -6.5(7) . . . . ?
O12 C43 O11 V1 -168.4(5) . . . . ?
C44 C43 O11 V1 11.2(6) . . . . ?
O13 C44 O14 V1 177.9(5) . . . . ?
C43 C44 O14 V1 -0.5(6) . . . . ?
O16 C45 O15 V2 -174.2(5) . . . . ?
C46 C45 O15 V2 8.5(7) . . . . ?
O17 C46 O18 V2 169.0(5) . . . . ?
C45 C46 O18 V2 -12.0(7) . . . . ?
O20 C47 O19 V2 -174.5(5) . . . . ?
C48 C47 O19 V2 5.9(6) . . . . ?
O21 C48 O22 V2 -177.1(6) . . . . ?
C47 C48 O22 V2 2.0(7) . . . . ?
Cr1 O1 V1 O5 -23.9(5) . . . . ?
Cr1 O1 V1 O10 -128.3(5) . . . . ?
Cr1 O1 V1 O14 71.3(5) . . . . ?
Cr1 O1 V1 O7 177.3(4) . . . . ?
Cr1 O1 V1 O11 147.9(5) . . . . ?
Cr2 O2 V2 O6 -14.1(6) . . . . ?
Cr2 O2 V2 O22 82.8(5) . . . . ?
Cr2 O2 V2 O18 -117.9(5) . . . . ?
Cr2 O2 V2 O15 -168.7(4) . . . . ?
Cr2 O2 V2 O19 159.3(5) . . . . ?
V1 O1 Cr1 O3 -151.1(5) . . . . ?
V1 O1 Cr1 N3 22.7(5) . . . . ?
V1 O1 Cr1 N1 119.2(5) . . . . ?
V1 O1 Cr1 N4 -56.4(5) . . . . ?
V2 O2 Cr2 O4 -162.5(5) . . . . ?
V2 O2 Cr2 N7 -69.6(5) . . . . ?
V2 O2 Cr2 N6 104.9(5) . . . . ?
V2 O2 Cr2 N8 9.7(5) . . . . ?

_refine_diff_density_max         0.686
_refine_diff_density_min         -0.947
_refine_diff_density_rms         0.100



