# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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_RXY11_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2343627'
loop_
_audit_author_name
_audit_author_address
'Baokuan Chen'
;Liaoning Petrochemical University
China
;
_audit_update_record             
;
2024-03-27 deposited with the CCDC.	2024-05-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H36 Co Mo8 N6 O42 P V6, 2(C28 H48 Co N8)'
_chemical_formula_sum            'C77 H132 Co3 Mo8 N22 O42 P V6'
_chemical_formula_weight         3318.97

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'
P P 0.1023 0.0942 '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'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   14.5907(6)
_cell_length_b                   26.2303(11)
_cell_length_c                   30.8162(13)
_cell_angle_alpha                90
_cell_angle_beta                 100.220(2)
_cell_angle_gamma                90
_cell_volume                     11606.8(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9998
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      25.07

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.899
_exptl_crystal_F_000             6662
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_absorpt_coefficient_mu    1.806
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            53723
_diffrn_reflns_av_unetI/netI     0.0367
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.257
_diffrn_reflns_theta_max         25.081
_diffrn_reflns_theta_full        25.081
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             10292
_reflns_number_gt                8270
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.1000P)²+500.0000P] 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     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00014(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         10292
_refine_ls_number_parameters     782
_refine_ls_number_restraints     1674
_refine_ls_R_factor_all          0.0889
_refine_ls_R_factor_gt           0.0711
_refine_ls_wR_factor_ref         0.1994
_refine_ls_wR_factor_gt          0.1863
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5933(7) 0.4124(4) 0.4999(3) 0.0279(16) Uani 1 1 d . U . . .
H1 H 0.644048 0.394930 0.515495 0.033 Uiso 1 1 calc R U . . .
C2 C 0.5972(7) 0.4479(4) 0.4687(3) 0.0318(17) Uani 1 1 d . U . . .
H2 H 0.650584 0.459790 0.459443 0.038 Uiso 1 1 calc R U . . .
C3 C 0.4519(7) 0.4379(4) 0.4756(3) 0.0278(16) Uani 1 1 d . U . . .
H3 H 0.387614 0.441740 0.471427 0.033 Uiso 1 1 calc R U . . .
C4 C 0.4777(8) 0.5011(4) 0.4178(3) 0.0352(18) Uani 1 1 d D U . . .
H4A H 0.511737 0.532571 0.425259 0.042 Uiso 1 1 calc R U . . .
H4B H 0.411972 0.508280 0.415999 0.042 Uiso 1 1 calc R U . . .
C5 C 0.4944(9) 0.4829(5) 0.3734(4) 0.050(2) Uani 1 1 d D U . . .
H5A H 0.473500 0.509582 0.352216 0.060 Uiso 1 1 calc R U . . .
H5B H 0.561164 0.479646 0.375150 0.060 Uiso 1 1 calc R U . . .
C6 C 0.4531(10) 0.4365(5) 0.3559(4) 0.059(2) Uani 1 1 d D U . . .
H6A H 0.385777 0.438426 0.352493 0.071 Uiso 1 1 calc R U . . .
H6B H 0.474771 0.408230 0.375309 0.071 Uiso 1 1 calc R U . . .
C7 C 0.4834(16) 0.4291(10) 0.3097(6) 0.111(6) Uani 1 1 d D U . . .
H7A H 0.469789 0.459559 0.292439 0.167 Uiso 1 1 calc R U . . .
H7B H 0.449916 0.400957 0.294515 0.167 Uiso 1 1 calc R U . . .
H7C H 0.549072 0.422331 0.313899 0.167 Uiso 1 1 calc R U . . .
C8 C 0.6399(8) 0.2925(5) 0.5561(4) 0.0385(16) Uani 1 1 d . U . . .
H8 H 0.615399 0.266435 0.537102 0.046 Uiso 1 1 calc R U . . .
C9 C 0.6565(8) 0.3579(5) 0.5974(4) 0.0383(17) Uani 1 1 d . U . . .
H9 H 0.641931 0.386469 0.612717 0.046 Uiso 1 1 calc R U . . .
C10 C 0.7426(8) 0.3402(5) 0.5988(4) 0.0409(19) Uani 1 1 d . U . . .
H10 H 0.797837 0.353726 0.614254 0.049 Uiso 1 1 calc R U . . .
C11 C 0.8082(8) 0.2643(5) 0.5639(4) 0.0465(19) Uani 1 1 d D U . . .
H11A H 0.863955 0.284243 0.563403 0.056 Uiso 1 1 calc R U . . .
H11B H 0.789846 0.248693 0.535127 0.056 Uiso 1 1 calc R U . . .
C12 C 0.8289(10) 0.2232(5) 0.5985(4) 0.056(2) Uani 1 1 d D U . . .
H12A H 0.855645 0.239079 0.626271 0.067 Uiso 1 1 calc R U . . .
H12B H 0.770667 0.207506 0.602184 0.067 Uiso 1 1 calc R U . . .
C13 C 0.8938(11) 0.1822(6) 0.5886(6) 0.078(3) Uani 1 1 d D U . . .
H13A H 0.898584 0.156086 0.611234 0.094 Uiso 1 1 calc R U . . .
H13B H 0.868428 0.166490 0.560586 0.094 Uiso 1 1 calc R U . . .
C14 C 0.9853(13) 0.2017(9) 0.5869(7) 0.107(5) Uani 1 1 d D U . . .
H14A H 1.013324 0.181684 0.566755 0.160 Uiso 1 1 calc R U . . .
H14B H 1.023036 0.200004 0.615781 0.160 Uiso 1 1 calc R U . . .
H14C H 0.980429 0.236529 0.577170 0.160 Uiso 1 1 calc R U . . .
C15 C 0.4235(9) 0.2458(4) 0.5223(4) 0.0416(18) Uani 1 1 d . U . . .
H15 H 0.465826 0.233584 0.546258 0.050 Uiso 1 1 calc R U . . .
C16 C 0.3370(9) 0.2980(5) 0.4787(4) 0.0427(17) Uani 1 1 d . U . . .
H16 H 0.307248 0.327252 0.466340 0.051 Uiso 1 1 calc R U . . .
C17 C 0.3798(9) 0.2176(5) 0.4897(4) 0.048(2) Uani 1 1 d . U . . .
H17 H 0.384936 0.182532 0.486510 0.057 Uiso 1 1 calc R U . . .
C18 C 0.2638(10) 0.2370(6) 0.4185(4) 0.059(2) Uani 1 1 d D U . . .
H18A H 0.201233 0.248256 0.420196 0.070 Uiso 1 1 calc R U . . .
H18B H 0.262016 0.200088 0.416607 0.070 Uiso 1 1 calc R U . . .
C19 C 0.2868(13) 0.2567(7) 0.3761(5) 0.079(3) Uani 1 1 d D U . . .
H19A H 0.351573 0.248275 0.376220 0.094 Uiso 1 1 calc R U . . .
H19B H 0.283464 0.293623 0.377463 0.094 Uiso 1 1 calc R U . . .
C20 C 0.2319(13) 0.2408(7) 0.3298(6) 0.094(4) Uani 1 1 d D U . . .
H20A H 0.270968 0.243960 0.307606 0.113 Uiso 1 1 calc R U . . .
H20B H 0.210766 0.205802 0.330382 0.113 Uiso 1 1 calc R U . . .
C21 C 0.1476(14) 0.2776(8) 0.3198(7) 0.100(4) Uani 1 1 d D U . . .
H21A H 0.113534 0.276855 0.343683 0.150 Uiso 1 1 calc R U . . .
H21B H 0.107660 0.267158 0.293066 0.150 Uiso 1 1 calc R U . . .
H21C H 0.169512 0.311631 0.316271 0.150 Uiso 1 1 calc R U . . .
C22 C 0.4788(9) 0.3461(5) 0.6472(4) 0.0481(19) Uani 1 1 d . U . . .
H22 H 0.530824 0.325376 0.648182 0.058 Uiso 1 1 calc R U . . .
C23 C 0.3612(8) 0.3929(5) 0.6230(4) 0.0398(17) Uani 1 1 d . U . . .
H23 H 0.314430 0.409773 0.604010 0.048 Uiso 1 1 calc R U . . .
C24 C 0.4377(9) 0.3589(6) 0.6823(5) 0.056(2) Uani 1 1 d . U . . .
H24 H 0.455693 0.348242 0.711396 0.067 Uiso 1 1 calc R U . . .
C25 C 0.3015(9) 0.4176(5) 0.6907(4) 0.0537(19) Uani 1 1 d D U . . .
H25A H 0.328727 0.450581 0.699507 0.064 Uiso 1 1 calc R U . . .
H25B H 0.243481 0.423794 0.670605 0.064 Uiso 1 1 calc R U . . .
C26 C 0.2801(11) 0.3932(6) 0.7290(5) 0.069(2) Uani 1 1 d D U . . .
H26A H 0.337363 0.385845 0.749278 0.082 Uiso 1 1 calc R U . . .
H26B H 0.248930 0.361045 0.720618 0.082 Uiso 1 1 calc R U . . .
C27 C 0.2170(10) 0.4269(6) 0.7522(5) 0.065(2) Uani 1 1 d D U . . .
H27A H 0.203166 0.459610 0.737789 0.079 Uiso 1 1 calc R U . . .
H27B H 0.159924 0.409949 0.756017 0.079 Uiso 1 1 calc R U . . .
C28 C 0.2858(14) 0.4307(9) 0.7937(6) 0.107(5) Uani 1 1 d D U . . .
H28A H 0.260659 0.451178 0.814519 0.161 Uiso 1 1 calc R U . . .
H28B H 0.299441 0.397157 0.805651 0.161 Uiso 1 1 calc R U . . .
H28C H 0.342008 0.446043 0.787708 0.161 Uiso 1 1 calc R U . . .
C29 C 0.1543(7) 0.5665(4) 0.7274(3) 0.0331(16) Uani 1 1 d . U . . .
H29 H 0.135249 0.559272 0.697601 0.040 Uiso 1 1 calc R U . . .
C30 C 0.1644(8) 0.5670(5) 0.7977(4) 0.0366(19) Uani 1 1 d . U . . .
H30 H 0.153424 0.559491 0.825820 0.044 Uiso 1 1 calc R U . . .
C31 C 0.2314(8) 0.5982(5) 0.7883(4) 0.0404(19) Uani 1 1 d . U . . .
H31 H 0.273645 0.616854 0.808265 0.048 Uiso 1 1 calc R U . . .
C32 C 0.2831(8) 0.6258(4) 0.7167(4) 0.0391(18) Uani 1 1 d D U . . .
H32A H 0.287272 0.606759 0.690165 0.047 Uiso 1 1 calc R U . . .
H32B H 0.345596 0.629774 0.733468 0.047 Uiso 1 1 calc R U . . .
C33 C 0.2413(8) 0.6777(5) 0.7045(4) 0.046(2) Uani 1 1 d D U . . .
H33A H 0.285752 0.698063 0.692038 0.056 Uiso 1 1 calc R U . . .
H33B H 0.229872 0.694729 0.730947 0.056 Uiso 1 1 calc R U . . .
C34 C 0.1504(8) 0.6749(5) 0.6714(4) 0.049(2) Uani 1 1 d D U . . .
H34A H 0.161921 0.658270 0.644760 0.059 Uiso 1 1 calc R U . . .
H34B H 0.106123 0.654236 0.683669 0.059 Uiso 1 1 calc R U . . .
C35 C 0.1082(12) 0.7272(5) 0.6596(6) 0.075(4) Uani 1 1 d D U . . .
H35A H 0.087148 0.741467 0.684797 0.112 Uiso 1 1 calc R U . . .
H35B H 0.056386 0.723912 0.635745 0.112 Uiso 1 1 calc R U . . .
H35C H 0.154272 0.749116 0.650847 0.112 Uiso 1 1 calc R U . . .
N11 N -0.0339(11) 0.4278(7) 0.7466(6) 0.033(2) Uani 0.5 1 d . U P A -1
N12 N -0.0591(14) 0.3492(6) 0.7233(6) 0.038(2) Uani 0.5 1 d D U P A -1
C36 C -0.0367(16) 0.3965(8) 0.7127(7) 0.036(2) Uani 0.5 1 d . U P A -1
H36 H -0.024789 0.406054 0.685210 0.043 Uiso 0.5 1 calc R U P A -1
C37 C -0.0545(17) 0.3971(8) 0.7796(7) 0.036(3) Uani 0.5 1 d . U P A -1
H37 H -0.055989 0.408176 0.808161 0.043 Uiso 0.5 1 calc R U P A -1
C38 C -0.0724(17) 0.3492(9) 0.7654(7) 0.039(2) Uani 0.5 1 d . U P A -1
H38 H -0.090098 0.321834 0.781282 0.047 Uiso 0.5 1 calc R U P A -1
C39 C -0.0658(15) 0.3033(8) 0.6943(7) 0.041(2) Uani 0.5 1 d D U P A -1
H39A H -0.087043 0.313210 0.663815 0.050 Uiso 0.5 1 calc R U P A -1
H39B H -0.110377 0.279352 0.702530 0.050 Uiso 0.5 1 calc R U P A -1
C40 C 0.0301(15) 0.2781(9) 0.6991(7) 0.045(3) Uani 0.5 1 d D U P A -1
H40A H 0.027647 0.251263 0.677299 0.055 Uiso 0.5 1 calc R U P A -1
H40B H 0.074975 0.303281 0.693063 0.055 Uiso 0.5 1 calc R U P A -1
C41 C 0.0635(17) 0.2556(9) 0.7448(7) 0.046(3) Uani 0.5 1 d D U P A -1
H41A H 0.070062 0.283416 0.765859 0.055 Uiso 0.5 1 calc R U P A -1
H41B H 0.125205 0.241591 0.745249 0.055 Uiso 0.5 1 calc R U P A -1
C42 C 0.003(2) 0.2138(9) 0.7614(8) 0.053(5) Uani 0.5 1 d D U P A -1
H42A H 0.032403 0.203152 0.790385 0.080 Uiso 0.5 1 calc R U P A -1
H42B H -0.057389 0.227214 0.762399 0.080 Uiso 0.5 1 calc R U P A -1
H42C H -0.001998 0.185200 0.741696 0.080 Uiso 0.5 1 calc R U P A -1
Co1 Co 0.000000 0.50304(6) 0.750000 0.0119(3) Uani 1 2 d S T P . .
Co2 Co 0.45554(9) 0.35775(5) 0.54751(4) 0.0248(3) Uani 1 1 d . . . . .
Mo01 Mo 0.04594(5) 0.40183(3) 0.58113(2) 0.0123(2) Uani 1 1 d . . . . .
Mo02 Mo 0.17912(5) 0.52492(3) 0.59219(2) 0.0145(2) Uani 1 1 d . . . . .
Mo03 Mo -0.17726(5) 0.47521(3) 0.56273(2) 0.0198(2) Uani 1 1 d . . . . .
Mo04 Mo 0.04489(7) 0.40179(3) 0.42624(2) 0.0238(2) Uani 1 1 d . . . . .
N1 N 0.5009(6) 0.4061(3) 0.5050(3) 0.0263(13) Uani 1 1 d . U . . .
N2 N 0.5073(6) 0.4631(3) 0.4531(3) 0.0265(15) Uani 1 1 d D U . . .
N3 N 0.5911(6) 0.3283(4) 0.5701(3) 0.0353(14) Uani 1 1 d . U . . .
N4 N 0.7322(6) 0.2985(4) 0.5729(3) 0.0363(17) Uani 1 1 d D U . . .
N5 N 0.4300(6) 0.3692(4) 0.6101(3) 0.0344(15) Uani 1 1 d . U . . .
N6 N 0.3652(7) 0.3902(4) 0.6663(3) 0.0486(19) Uani 1 1 d D U . . .
N7 N 0.3968(6) 0.2965(3) 0.5156(3) 0.0356(15) Uani 1 1 d . U . . .
N8 N 0.3245(7) 0.2506(4) 0.4611(3) 0.0449(18) Uani 1 1 d D U . . .
N9 N 0.1150(6) 0.5480(4) 0.7590(3) 0.0317(15) Uani 1 1 d . U . . .
N10 N 0.2251(6) 0.5970(4) 0.7435(3) 0.0365(16) Uani 1 1 d D U . . .
O1 O 0.1451(6) 0.3944(3) 0.4685(3) 0.0516(16) Uani 1 1 d . U . . .
O2 O 0.0800(9) 0.4746(5) 0.4781(4) 0.0224(18) Uani 0.5 1 d . U P . .
O3 O -0.0391(9) 0.4583(5) 0.5254(4) 0.0255(16) Uani 0.5 1 d . U P . .
O4 O 0.1927(6) 0.5794(3) 0.5592(3) 0.0471(17) Uani 1 1 d . U . . .
O5 O -0.2376(6) 0.5198(3) 0.5245(3) 0.0482(17) Uani 1 1 d . U . . .
O6 O -0.0712(8) 0.5238(4) 0.4655(4) 0.016(2) Uani 0.5 1 d . U P . .
O7 O -0.0506(9) 0.4593(5) 0.4675(4) 0.0235(19) Uani 0.5 1 d . U P . .
O8 O -0.0608(5) 0.4421(3) 0.5993(2) 0.0299(12) Uani 1 1 d . U . . .
O9 O 0.1063(5) 0.4653(3) 0.6137(2) 0.0287(12) Uani 1 1 d . U . . .
O10 O 0.3106(5) 0.3988(2) 0.5256(2) 0.0249(12) Uani 1 1 d . U . . .
O11 O 0.0008(4) 0.5005(2) 0.6826(2) 0.0212(12) Uani 1 1 d . U . . .
O12 O 0.0637(5) 0.3611(3) 0.3875(2) 0.0260(15) Uani 1 1 d . U . . .
O13 O 0.2544(5) 0.5354(3) 0.6389(2) 0.0349(16) Uani 1 1 d . U . . .
O14 O 0.0636(5) 0.5574(3) 0.6094(2) 0.0303(12) Uani 1 1 d . U . . .
O15 O -0.2511(4) 0.4653(3) 0.5975(2) 0.0265(15) Uani 1 1 d . U . . .
O16 O -0.1831(5) 0.3311(3) 0.4842(3) 0.0368(18) Uani 1 1 d . U . . .
O17 O -0.1039(5) 0.5345(3) 0.5955(2) 0.0362(14) Uani 1 1 d . U . . .
O18 O 0.1453(5) 0.3946(3) 0.5554(3) 0.0339(13) Uani 1 1 d . U . . .
O19 O 0.2396(5) 0.4799(3) 0.5635(3) 0.0351(13) Uani 1 1 d . U . . .
O20 O 0.0655(6) 0.3606(3) 0.6230(2) 0.0382(17) Uani 1 1 d . U . . .
O21 O -0.1912(5) 0.4205(3) 0.5273(2) 0.0392(15) Uani 1 1 d . U . . .
O22 O -0.0358(5) 0.3694(3) 0.5403(3) 0.0397(14) Uani 1 1 d . U . . .
O23 O -0.0362(6) 0.3698(3) 0.4539(3) 0.0422(15) Uani 1 1 d . U . . .
P1 P 0.000000 0.500000 0.500000 0.0105(6) Uani 1 2 d S . P . .
V1 V 0.21473(10) 0.42983(5) 0.51729(5) 0.0157(3) Uani 1 1 d . . . . .
V2 V 0.00109(10) 0.49995(5) 0.62944(4) 0.0121(3) Uani 1 1 d . . . . .
V3 V -0.12751(10) 0.38238(5) 0.48922(5) 0.0159(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.345(15) . ?
C1 N1 1.394(13) . ?
C1 H1 0.9300 . ?
C2 N2 1.374(13) . ?
C2 H2 0.9300 . ?
C3 N2 1.329(13) . ?
C3 N1 1.341(14) . ?
C3 H3 0.9300 . ?
C4 N2 1.483(11) . ?
C4 C5 1.507(13) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.421(14) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C7 1.577(16) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 N3 1.297(15) . ?
C8 N4 1.364(15) . ?
C8 H8 0.9300 . ?
C9 C10 1.334(17) . ?
C9 N3 1.392(15) . ?
C9 H9 0.9300 . ?
C10 N4 1.346(15) . ?
C10 H10 0.9300 . ?
C11 N4 1.490(12) . ?
C11 C12 1.508(13) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.500(15) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.438(16) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C17 1.317(17) . ?
C15 N7 1.393(15) . ?
C15 H15 0.9300 . ?
C16 N7 1.304(15) . ?
C16 N8 1.356(15) . ?
C16 H16 0.9300 . ?
C17 N8 1.387(17) . ?
C17 H17 0.9300 . ?
C18 N8 1.489(13) . ?
C18 C19 1.500(15) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.562(15) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.550(16) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C24 1.370(19) . ?
C22 N5 1.374(15) . ?
C22 H22 0.9300 . ?
C23 N5 1.301(15) . ?
C23 N6 1.324(15) . ?
C23 H23 0.9300 . ?
C24 N6 1.362(17) . ?
C24 H24 0.9300 . ?
C25 C26 1.424(14) . ?
C25 N6 1.483(13) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.541(15) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.483(15) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 N9 1.308(13) . ?
C29 N10 1.332(13) . ?
C29 H29 0.9300 . ?
C30 C31 1.345(15) . ?
C30 N9 1.373(13) . ?
C30 H30 0.9300 . ?
C31 N10 1.367(14) . ?
C31 H31 0.9300 . ?
C32 N10 1.487(11) . ?
C32 C33 1.513(14) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.524(13) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.521(14) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
N11 C36 1.32(3) . ?
N11 C37 1.37(3) . ?
N11 Co1 2.034(17) . ?
N12 C36 1.34(3) . ?
N12 C38 1.35(3) . ?
N12 C39 1.493(17) . ?
C36 H36 0.9300 . ?
C37 C38 1.34(3) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C40 1.531(18) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 C41 1.524(17) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.547(18) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
Co1 N9 2.029(8) 2_556 ?
Co1 N9 2.030(8) . ?
Co1 O11 2.081(6) . ?
Co1 O11 2.081(6) 2_556 ?
Co2 N7 1.995(9) . ?
Co2 N1 2.017(8) . ?
Co2 N5 2.051(9) . ?
Co2 N3 2.123(9) . ?
Co2 O10 2.362(7) . ?
Mo01 O20 1.668(7) . ?
Mo01 O18 1.781(7) . ?
Mo01 O22 1.788(7) . ?
Mo01 O8 2.040(7) . ?
Mo01 O9 2.059(7) . ?
Mo01 O3 2.434(14) . ?
Mo01 O6 2.489(12) 5_566 ?
Mo01 V2 3.1005(16) . ?
Mo02 O13 1.670(7) . ?
Mo02 O4 1.785(8) . ?
Mo02 O19 1.798(7) . ?
Mo02 O14 2.041(7) . ?
Mo02 O9 2.064(7) . ?
Mo02 O7 2.418(13) 5_566 ?
Mo02 O6 2.507(12) 5_566 ?
Mo02 V2 3.0905(16) . ?
Mo03 O15 1.669(6) . ?
Mo03 O5 1.780(8) . ?
Mo03 O21 1.793(7) . ?
Mo03 O17 2.051(7) . ?
Mo03 O8 2.057(7) . ?
Mo03 O2 2.442(12) 5_566 ?
Mo03 V2 3.0856(16) . ?
Mo04 O12 1.659(6) . ?
Mo04 O23 1.785(8) . ?
Mo04 O1 1.787(8) . ?
Mo04 O17 2.046(7) 5_566 ?
Mo04 O14 2.059(7) 5_566 ?
Mo04 O2 2.485(13) . ?
Mo04 V2 3.1027(16) 5_566 ?
O1 V1 1.902(8) . ?
O2 P1 1.594(12) . ?
O2 O6 1.764(17) 5_566 ?
O2 V1 2.420(13) . ?
O3 P1 1.514(13) . ?
O3 O6 1.652(17) 5_566 ?
O3 O7 1.764(18) . ?
O4 V3 1.906(8) 5_566 ?
O5 V1 1.914(8) 5_566 ?
O6 P1 1.485(12) . ?
O6 O7 1.719(17) . ?
O7 P1 1.559(13) . ?
O7 V3 2.458(13) . ?
O8 V2 1.920(7) . ?
O9 V2 1.919(7) . ?
O10 V1 1.600(7) . ?
O11 V2 1.639(6) . ?
O14 V2 1.919(7) . ?
O16 V3 1.565(7) . ?
O17 V2 1.922(7) . ?
O18 V1 1.920(7) . ?
O19 V1 1.923(7) . ?
O21 V3 1.904(7) . ?
O22 V3 1.907(8) . ?
O23 V3 1.894(7) . ?

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
C2 C1 N1 109.2(9) . . ?
C2 C1 H1 125.4 . . ?
N1 C1 H1 125.4 . . ?
C1 C2 N2 106.9(9) . . ?
C1 C2 H2 126.5 . . ?
N2 C2 H2 126.5 . . ?
N2 C3 N1 111.2(9) . . ?
N2 C3 H3 124.4 . . ?
N1 C3 H3 124.4 . . ?
N2 C4 C5 112.4(9) . . ?
N2 C4 H4A 109.1 . . ?
C5 C4 H4A 109.1 . . ?
N2 C4 H4B 109.1 . . ?
C5 C4 H4B 109.1 . . ?
H4A C4 H4B 107.9 . . ?
C6 C5 C4 119.4(11) . . ?
C6 C5 H5A 107.5 . . ?
C4 C5 H5A 107.5 . . ?
C6 C5 H5B 107.5 . . ?
C4 C5 H5B 107.5 . . ?
H5A C5 H5B 107.0 . . ?
C5 C6 C7 106.3(13) . . ?
C5 C6 H6A 110.5 . . ?
C7 C6 H6A 110.5 . . ?
C5 C6 H6B 110.5 . . ?
C7 C6 H6B 110.5 . . ?
H6A C6 H6B 108.7 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N3 C8 N4 110.7(11) . . ?
N3 C8 H8 124.6 . . ?
N4 C8 H8 124.6 . . ?
C10 C9 N3 111.5(11) . . ?
C10 C9 H9 124.3 . . ?
N3 C9 H9 124.3 . . ?
C9 C10 N4 104.9(11) . . ?
C9 C10 H10 127.6 . . ?
N4 C10 H10 127.6 . . ?
N4 C11 C12 111.2(10) . . ?
N4 C11 H11A 109.4 . . ?
C12 C11 H11A 109.4 . . ?
N4 C11 H11B 109.4 . . ?
C12 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
C13 C12 C11 115.2(12) . . ?
C13 C12 H12A 108.5 . . ?
C11 C12 H12A 108.5 . . ?
C13 C12 H12B 108.5 . . ?
C11 C12 H12B 108.5 . . ?
H12A C12 H12B 107.5 . . ?
C14 C13 C12 112.0(16) . . ?
C14 C13 H13A 109.2 . . ?
C12 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
C12 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 C15 N7 109.7(12) . . ?
C17 C15 H15 125.2 . . ?
N7 C15 H15 125.2 . . ?
N7 C16 N8 110.1(11) . . ?
N7 C16 H16 124.9 . . ?
N8 C16 H16 124.9 . . ?
C15 C17 N8 106.5(11) . . ?
C15 C17 H17 126.7 . . ?
N8 C17 H17 126.7 . . ?
N8 C18 C19 119.7(11) . . ?
N8 C18 H18A 107.4 . . ?
C19 C18 H18A 107.4 . . ?
N8 C18 H18B 107.4 . . ?
C19 C18 H18B 107.4 . . ?
H18A C18 H18B 106.9 . . ?
C18 C19 C20 123.1(15) . . ?
C18 C19 H19A 106.6 . . ?
C20 C19 H19A 106.6 . . ?
C18 C19 H19B 106.6 . . ?
C20 C19 H19B 106.6 . . ?
H19A C19 H19B 106.5 . . ?
C21 C20 C19 106.1(16) . . ?
C21 C20 H20A 110.5 . . ?
C19 C20 H20A 110.5 . . ?
C21 C20 H20B 110.5 . . ?
C19 C20 H20B 110.5 . . ?
H20A C20 H20B 108.7 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 N5 108.3(11) . . ?
C24 C22 H22 125.8 . . ?
N5 C22 H22 125.8 . . ?
N5 C23 N6 112.6(11) . . ?
N5 C23 H23 123.7 . . ?
N6 C23 H23 123.7 . . ?
N6 C24 C22 106.3(11) . . ?
N6 C24 H24 126.9 . . ?
C22 C24 H24 126.9 . . ?
C26 C25 N6 116.9(12) . . ?
C26 C25 H25A 108.1 . . ?
N6 C25 H25A 108.1 . . ?
C26 C25 H25B 108.1 . . ?
N6 C25 H25B 108.1 . . ?
H25A C25 H25B 107.3 . . ?
C25 C26 C27 111.2(12) . . ?
C25 C26 H26A 109.4 . . ?
C27 C26 H26A 109.4 . . ?
C25 C26 H26B 109.4 . . ?
C27 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C28 C27 C26 94.0(13) . . ?
C28 C27 H27A 112.9 . . ?
C26 C27 H27A 112.9 . . ?
C28 C27 H27B 112.9 . . ?
C26 C27 H27B 112.9 . . ?
H27A C27 H27B 110.3 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N9 C29 N10 111.0(9) . . ?
N9 C29 H29 124.5 . . ?
N10 C29 H29 124.5 . . ?
C31 C30 N9 108.8(10) . . ?
C31 C30 H30 125.6 . . ?
N9 C30 H30 125.6 . . ?
C30 C31 N10 106.4(10) . . ?
C30 C31 H31 126.8 . . ?
N10 C31 H31 126.8 . . ?
N10 C32 C33 110.5(9) . . ?
N10 C32 H32A 109.5 . . ?
C33 C32 H32A 109.5 . . ?
N10 C32 H32B 109.5 . . ?
C33 C32 H32B 109.5 . . ?
H32A C32 H32B 108.1 . . ?
C32 C33 C34 112.8(10) . . ?
C32 C33 H33A 109.0 . . ?
C34 C33 H33A 109.0 . . ?
C32 C33 H33B 109.0 . . ?
C34 C33 H33B 109.0 . . ?
H33A C33 H33B 107.8 . . ?
C35 C34 C33 112.6(11) . . ?
C35 C34 H34A 109.1 . . ?
C33 C34 H34A 109.1 . . ?
C35 C34 H34B 109.1 . . ?
C33 C34 H34B 109.1 . . ?
H34A C34 H34B 107.8 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C36 N11 C37 104.0(18) . . ?
C36 N11 Co1 128.0(15) . . ?
C37 N11 Co1 127.9(15) . . ?
C36 N12 C38 108.6(18) . . ?
C36 N12 C39 126.4(19) . . ?
C38 N12 C39 125.0(19) . . ?
N11 C36 N12 110.9(19) . . ?
N11 C36 H36 124.5 . . ?
N12 C36 H36 124.5 . . ?
C38 C37 N11 111(2) . . ?
C38 C37 H37 124.4 . . ?
N11 C37 H37 124.4 . . ?
C37 C38 N12 105(2) . . ?
C37 C38 H38 127.4 . . ?
N12 C38 H38 127.4 . . ?
N12 C39 C40 109.1(18) . . ?
N12 C39 H39A 109.9 . . ?
C40 C39 H39A 109.9 . . ?
N12 C39 H39B 109.9 . . ?
C40 C39 H39B 109.9 . . ?
H39A C39 H39B 108.3 . . ?
C41 C40 C39 113(2) . . ?
C41 C40 H40A 108.9 . . ?
C39 C40 H40A 108.9 . . ?
C41 C40 H40B 108.9 . . ?
C39 C40 H40B 108.9 . . ?
H40A C40 H40B 107.8 . . ?
C40 C41 C42 118(2) . . ?
C40 C41 H41A 107.7 . . ?
C42 C41 H41A 107.7 . . ?
C40 C41 H41B 107.7 . . ?
C42 C41 H41B 107.7 . . ?
H41A C41 H41B 107.1 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N9 Co1 N9 109.0(6) 2_556 . ?
N9 Co1 N11 111.7(5) 2_556 . ?
N9 Co1 N11 139.3(5) . . ?
N9 Co1 O11 91.9(3) 2_556 . ?
N9 Co1 O11 90.2(3) . . ?
N11 Co1 O11 87.8(5) . . ?
N9 Co1 O11 90.2(3) 2_556 2_556 ?
N9 Co1 O11 91.9(3) . 2_556 ?
N11 Co1 O11 88.6(5) . 2_556 ?
O11 Co1 O11 176.3(4) . 2_556 ?
N7 Co2 N1 110.3(4) . . ?
N7 Co2 N5 116.6(4) . . ?
N1 Co2 N5 130.8(4) . . ?
N7 Co2 N3 99.4(4) . . ?
N1 Co2 N3 92.8(3) . . ?
N5 Co2 N3 93.3(4) . . ?
N7 Co2 O10 86.6(3) . . ?
N1 Co2 O10 84.7(3) . . ?
N5 Co2 O10 84.3(3) . . ?
N3 Co2 O10 174.0(3) . . ?
O20 Mo01 O18 103.5(4) . . ?
O20 Mo01 O22 103.7(4) . . ?
O18 Mo01 O22 97.5(3) . . ?
O20 Mo01 O8 99.1(3) . . ?
O18 Mo01 O8 154.0(3) . . ?
O22 Mo01 O8 89.6(3) . . ?
O20 Mo01 O9 98.5(3) . . ?
O18 Mo01 O9 89.5(3) . . ?
O22 Mo01 O9 154.3(3) . . ?
O8 Mo01 O9 74.3(3) . . ?
O20 Mo01 O3 159.3(4) . . ?
O18 Mo01 O3 96.0(4) . . ?
O22 Mo01 O3 66.4(4) . . ?
O8 Mo01 O3 63.9(4) . . ?
O9 Mo01 O3 88.3(4) . . ?
O20 Mo01 O6 158.7(4) . 5_566 ?
O18 Mo01 O6 67.1(4) . 5_566 ?
O22 Mo01 O6 96.6(4) . 5_566 ?
O8 Mo01 O6 87.2(3) . 5_566 ?
O9 Mo01 O6 63.5(3) . 5_566 ?
O3 Mo01 O6 39.2(4) . 5_566 ?
O20 Mo01 V2 100.9(2) . . ?
O18 Mo01 V2 124.1(2) . . ?
O22 Mo01 V2 124.2(2) . . ?
O8 Mo01 V2 37.10(19) . . ?
O9 Mo01 V2 37.19(18) . . ?
O3 Mo01 V2 73.1(3) . . ?
O6 Mo01 V2 72.1(3) 5_566 . ?
O13 Mo02 O4 103.6(4) . . ?
O13 Mo02 O19 103.1(4) . . ?
O4 Mo02 O19 97.6(3) . . ?
O13 Mo02 O14 98.9(3) . . ?
O4 Mo02 O14 89.6(3) . . ?
O19 Mo02 O14 154.4(3) . . ?
O13 Mo02 O9 98.4(3) . . ?
O4 Mo02 O9 154.8(4) . . ?
O19 Mo02 O9 89.2(3) . . ?
O14 Mo02 O9 74.7(3) . . ?
O13 Mo02 O7 158.3(4) . 5_566 ?
O4 Mo02 O7 65.1(4) . 5_566 ?
O19 Mo02 O7 96.9(4) . 5_566 ?
O14 Mo02 O7 63.9(4) . 5_566 ?
O9 Mo02 O7 90.0(4) . 5_566 ?
O13 Mo02 O6 158.3(4) . 5_566 ?
O4 Mo02 O6 97.1(4) . 5_566 ?
O19 Mo02 O6 67.5(4) . 5_566 ?
O14 Mo02 O6 87.3(3) . 5_566 ?
O9 Mo02 O6 63.1(3) . 5_566 ?
O7 Mo02 O6 40.8(4) 5_566 5_566 ?
O13 Mo02 V2 100.5(2) . . ?
O4 Mo02 V2 124.5(2) . . ?
O19 Mo02 V2 124.2(2) . . ?
O14 Mo02 V2 37.30(19) . . ?
O9 Mo02 V2 37.43(18) . . ?
O7 Mo02 V2 74.3(3) 5_566 . ?
O6 Mo02 V2 72.1(3) 5_566 . ?
O15 Mo03 O5 103.1(4) . . ?
O15 Mo03 O21 104.4(4) . . ?
O5 Mo03 O21 97.7(4) . . ?
O15 Mo03 O17 98.2(3) . . ?
O5 Mo03 O17 88.9(3) . . ?
O21 Mo03 O17 154.2(3) . . ?
O15 Mo03 O8 98.5(3) . . ?
O5 Mo03 O8 154.7(4) . . ?
O21 Mo03 O8 89.3(3) . . ?
O17 Mo03 O8 75.1(3) . . ?
O15 Mo03 O2 156.2(4) . 5_566 ?
O5 Mo03 O2 64.4(4) . 5_566 ?
O21 Mo03 O2 97.6(4) . 5_566 ?
O17 Mo03 O2 62.9(4) . 5_566 ?
O8 Mo03 O2 90.6(4) . 5_566 ?
O15 Mo03 V2 99.8(2) . . ?
O5 Mo03 V2 124.2(2) . . ?
O21 Mo03 V2 124.4(2) . . ?
O17 Mo03 V2 37.6(2) . . ?
O8 Mo03 V2 37.53(19) . . ?
O2 Mo03 V2 74.4(3) 5_566 . ?
O12 Mo04 O23 104.4(4) . . ?
O12 Mo04 O1 103.6(4) . . ?
O23 Mo04 O1 97.3(4) . . ?
O12 Mo04 O17 99.0(3) . 5_566 ?
O23 Mo04 O17 153.3(3) . 5_566 ?
O1 Mo04 O17 89.4(3) . 5_566 ?
O12 Mo04 O14 99.2(3) . 5_566 ?
O23 Mo04 O14 89.3(3) . 5_566 ?
O1 Mo04 O14 153.7(4) . 5_566 ?
O17 Mo04 O14 74.3(3) 5_566 5_566 ?
O12 Mo04 O2 156.2(4) . . ?
O23 Mo04 O2 97.7(4) . . ?
O1 Mo04 O2 64.3(4) . . ?
O17 Mo04 O2 62.1(4) 5_566 . ?
O14 Mo04 O2 89.7(4) 5_566 . ?
O12 Mo04 V2 100.6(2) . 5_566 ?
O23 Mo04 V2 123.9(2) . 5_566 ?
O1 Mo04 V2 124.1(3) . 5_566 ?
O17 Mo04 V2 37.1(2) 5_566 5_566 ?
O14 Mo04 V2 37.14(19) 5_566 5_566 ?
O2 Mo04 V2 73.6(3) . 5_566 ?
C3 N1 C1 105.0(8) . . ?
C3 N1 Co2 129.3(7) . . ?
C1 N1 Co2 125.7(7) . . ?
C3 N2 C2 107.7(9) . . ?
C3 N2 C4 126.3(9) . . ?
C2 N2 C4 125.9(9) . . ?
C8 N3 C9 104.3(10) . . ?
C8 N3 Co2 133.5(8) . . ?
C9 N3 Co2 119.6(7) . . ?
C10 N4 C8 108.6(10) . . ?
C10 N4 C11 126.2(10) . . ?
C8 N4 C11 125.2(10) . . ?
C23 N5 C22 105.7(10) . . ?
C23 N5 Co2 129.5(8) . . ?
C22 N5 Co2 124.3(8) . . ?
C23 N6 C24 106.9(11) . . ?
C23 N6 C25 124.5(10) . . ?
C24 N6 C25 128.6(11) . . ?
C16 N7 C15 106.5(10) . . ?
C16 N7 Co2 124.7(8) . . ?
C15 N7 Co2 127.7(8) . . ?
C16 N8 C17 107.2(10) . . ?
C16 N8 C18 126.1(11) . . ?
C17 N8 C18 126.7(11) . . ?
C29 N9 C30 106.3(9) . . ?
C29 N9 Co1 125.1(7) . . ?
C30 N9 Co1 128.6(7) . . ?
C29 N10 C31 107.4(9) . . ?
C29 N10 C32 125.4(9) . . ?
C31 N10 C32 127.2(9) . . ?
Mo04 O1 V1 141.0(5) . . ?
P1 O2 O6 52.2(5) . 5_566 ?
P1 O2 V1 125.6(7) . . ?
O6 O2 V1 73.4(6) 5_566 . ?
P1 O2 Mo03 121.9(7) . 5_566 ?
O6 O2 Mo03 130.2(8) 5_566 5_566 ?
V1 O2 Mo03 91.4(4) . 5_566 ?
P1 O2 Mo04 120.7(7) . . ?
O6 O2 Mo04 127.5(7) 5_566 . ?
V1 O2 Mo04 90.3(4) . . ?
Mo03 O2 Mo04 98.9(4) 5_566 . ?
P1 O3 O6 55.8(6) . 5_566 ?
P1 O3 O7 56.1(6) . . ?
O6 O3 O7 94.7(9) 5_566 . ?
P1 O3 Mo01 127.8(7) . . ?
O6 O3 Mo01 72.2(6) 5_566 . ?
O7 O3 Mo01 131.9(8) . . ?
Mo02 O4 V3 140.9(5) . 5_566 ?
Mo03 O5 V1 140.7(5) . 5_566 ?
P1 O6 O3 57.4(6) . 5_566 ?
P1 O6 O7 57.7(6) . . ?
O3 O6 O7 96.5(9) 5_566 . ?
P1 O6 O2 58.0(6) . 5_566 ?
O3 O6 O2 93.8(8) 5_566 5_566 ?
O7 O6 O2 91.8(8) . 5_566 ?
P1 O6 Mo01 125.9(6) . 5_566 ?
O3 O6 Mo01 68.6(6) 5_566 5_566 ?
O7 O6 Mo01 138.5(7) . 5_566 ?
O2 O6 Mo01 126.5(7) 5_566 5_566 ?
P1 O6 Mo02 124.4(6) . 5_566 ?
O3 O6 Mo02 137.3(8) 5_566 5_566 ?
O7 O6 Mo02 66.8(6) . 5_566 ?
O2 O6 Mo02 124.4(7) 5_566 5_566 ?
Mo01 O6 Mo02 97.4(4) 5_566 5_566 ?
P1 O7 O6 53.6(6) . . ?
P1 O7 O3 53.8(6) . . ?
O6 O7 O3 91.9(8) . . ?
P1 O7 Mo02 125.9(7) . 5_566 ?
O6 O7 Mo02 72.4(6) . 5_566 ?
O3 O7 Mo02 133.9(8) . 5_566 ?
P1 O7 V3 125.0(7) . . ?
O6 O7 V3 137.0(8) . . ?
O3 O7 V3 71.3(6) . . ?
Mo02 O7 V3 91.0(4) 5_566 . ?
V2 O8 Mo01 103.0(3) . . ?
V2 O8 Mo03 101.7(3) . . ?
Mo01 O8 Mo03 131.7(4) . . ?
V2 O9 Mo01 102.4(3) . . ?
V2 O9 Mo02 101.7(3) . . ?
Mo01 O9 Mo02 131.0(4) . . ?
V1 O10 Co2 172.2(4) . . ?
V2 O11 Co1 178.7(4) . . ?
V2 O14 Mo02 102.6(3) . . ?
V2 O14 Mo04 102.5(3) . 5_566 ?
Mo02 O14 Mo04 132.1(4) . 5_566 ?
V2 O17 Mo04 102.8(3) . 5_566 ?
V2 O17 Mo03 101.9(3) . . ?
Mo04 O17 Mo03 132.1(4) 5_566 . ?
Mo01 O18 V1 141.3(4) . . ?
Mo02 O19 V1 140.2(4) . . ?
Mo03 O21 V3 141.3(5) . . ?
Mo01 O22 V3 141.2(5) . . ?
Mo04 O23 V3 141.8(5) . . ?
O6 P1 O6 180.0(7) 5_566 . ?
O6 P1 O3 66.8(7) 5_566 . ?
O6 P1 O3 113.2(7) . . ?
O6 P1 O3 113.2(7) 5_566 5_566 ?
O6 P1 O3 66.8(7) . 5_566 ?
O3 P1 O3 180.0 . 5_566 ?
O6 P1 O7 68.7(7) 5_566 5_566 ?
O6 P1 O7 111.3(7) . 5_566 ?
O3 P1 O7 109.9(7) . 5_566 ?
O3 P1 O7 70.1(7) 5_566 5_566 ?
O6 P1 O7 111.3(7) 5_566 . ?
O6 P1 O7 68.7(7) . . ?
O3 P1 O7 70.1(7) . . ?
O3 P1 O7 109.9(7) 5_566 . ?
O7 P1 O7 180.0 5_566 . ?
O6 P1 O2 110.2(6) 5_566 5_566 ?
O6 P1 O2 69.8(6) . 5_566 ?
O3 P1 O2 73.2(7) . 5_566 ?
O3 P1 O2 106.8(7) 5_566 5_566 ?
O7 P1 O2 74.9(7) 5_566 5_566 ?
O7 P1 O2 105.1(7) . 5_566 ?
O6 P1 O2 69.8(6) 5_566 . ?
O6 P1 O2 110.2(6) . . ?
O3 P1 O2 106.8(7) . . ?
O3 P1 O2 73.2(7) 5_566 . ?
O7 P1 O2 105.1(7) 5_566 . ?
O7 P1 O2 74.9(7) . . ?
O2 P1 O2 180.0(8) 5_566 . ?
O10 V1 O1 102.0(4) . . ?
O10 V1 O5 101.9(4) . 5_566 ?
O1 V1 O5 86.4(3) . 5_566 ?
O10 V1 O18 101.5(3) . . ?
O1 V1 O18 89.0(4) . . ?
O5 V1 O18 156.6(4) 5_566 . ?
O10 V1 O19 100.7(3) . . ?
O1 V1 O19 157.4(4) . . ?
O5 V1 O19 89.7(3) 5_566 . ?
O18 V1 O19 85.8(3) . . ?
O10 V1 O2 159.5(4) . . ?
O1 V1 O2 64.5(4) . . ?
O5 V1 O2 63.4(4) 5_566 . ?
O18 V1 O2 94.0(4) . . ?
O19 V1 O2 93.9(4) . . ?
O11 V2 O9 113.7(3) . . ?
O11 V2 O14 113.6(3) . . ?
O9 V2 O14 81.0(3) . . ?
O11 V2 O8 114.0(3) . . ?
O9 V2 O8 80.3(3) . . ?
O14 V2 O8 132.4(3) . . ?
O11 V2 O17 113.3(3) . . ?
O9 V2 O17 133.0(3) . . ?
O14 V2 O17 80.4(3) . . ?
O8 V2 O17 81.3(3) . . ?
O11 V2 Mo03 121.1(2) . . ?
O9 V2 Mo03 110.5(2) . . ?
O14 V2 Mo03 110.1(2) . . ?
O8 V2 Mo03 40.8(2) . . ?
O17 V2 Mo03 40.6(2) . . ?
O11 V2 Mo02 121.4(2) . . ?
O9 V2 Mo02 40.8(2) . . ?
O14 V2 Mo02 40.1(2) . . ?
O8 V2 Mo02 110.0(2) . . ?
O17 V2 Mo02 109.8(2) . . ?
Mo03 V2 Mo02 117.53(5) . . ?
O11 V2 Mo01 121.7(2) . . ?
O9 V2 Mo01 40.4(2) . . ?
O14 V2 Mo01 110.1(2) . . ?
O8 V2 Mo01 39.9(2) . . ?
O17 V2 Mo01 110.3(2) . . ?
Mo03 V2 Mo01 74.36(4) . . ?
Mo02 V2 Mo01 74.62(4) . . ?
O11 V2 Mo04 120.4(2) . 5_566 ?
O9 V2 Mo04 110.9(2) . 5_566 ?
O14 V2 Mo04 40.4(2) . 5_566 ?
O8 V2 Mo04 110.6(2) . 5_566 ?
O17 V2 Mo04 40.0(2) . 5_566 ?
Mo03 V2 Mo04 74.47(4) . 5_566 ?
Mo02 V2 Mo04 74.46(4) . 5_566 ?
Mo01 V2 Mo04 117.86(5) . 5_566 ?
O16 V3 O23 101.5(4) . . ?
O16 V3 O21 102.1(4) . . ?
O23 V3 O21 156.4(4) . . ?
O16 V3 O4 101.4(4) . 5_566 ?
O23 V3 O4 86.9(3) . 5_566 ?
O21 V3 O4 88.7(3) . 5_566 ?
O16 V3 O22 101.8(4) . . ?
O23 V3 O22 88.9(3) . . ?
O21 V3 O22 86.1(3) . . ?
O4 V3 O22 156.9(4) 5_566 . ?
O16 V3 O7 158.8(4) . . ?
O23 V3 O7 65.4(4) . . ?
O21 V3 O7 92.0(4) . . ?
O4 V3 O7 62.9(4) 5_566 . ?
O22 V3 O7 94.8(4) . . ?

_refine_diff_density_max         3.721
_refine_diff_density_min         -2.452
_refine_diff_density_rms         0.219



