# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_a
_audit_block_doi                 10.5517/ccdc.csd.cc2p03b5
_database_code_depnum_ccdc_archive 'CCDC 2472756'
loop_
_audit_author_name
_audit_author_address
'Zhang Zexun'
;FuZhou University
China
;
_audit_update_record             
;
2025-09-05 deposited with the CCDC.	2026-03-25 downloaded from the CCDC.
;
_audit_creation_date             2025-08-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7308)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'H2 O28 V10, 2(C12 H14 N2)'
_chemical_formula_sum            'C24 H30 N4 O28 V10'
_chemical_formula_weight         1331.92
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.0360(2)
_cell_length_b                   15.9655(3)
_cell_length_c                   11.9170(2)
_cell_angle_alpha                90
_cell_angle_beta                 91.246(2)
_cell_angle_gamma                90
_cell_volume                     1909.01(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    28219
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.0350
_cell_measurement_theta_min      2.1120
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.439
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.317
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            43032
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.130
_diffrn_reflns_theta_min         2.133
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3927
_reflns_number_total             5101
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.018
_refine_diff_density_min         -0.563
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         5101
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0386
_refine_ls_restrained_S_all      1.144
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0296P)²+7.6030P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.1003
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O4-H4A
 1 with sigma of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C4(H4), C10(H10), C2(H2), C11(H11), C5(H5), C1(H1)
3.b Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C6(H6A,H6B,H6C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
V5 V 0.52723(5) -0.01636(3) 0.63336(4) 0.01127(12) Uani 1 1 d . . . . .
V2 V 0.33162(5) 0.12920(3) 0.68021(5) 0.01285(12) Uani 1 1 d . . . . .
V3 V 0.57873(5) 0.16050(3) 0.53772(5) 0.01203(12) Uani 1 1 d . . . . .
V4 V 0.23712(5) -0.02328(3) 0.53826(4) 0.01182(12) Uani 1 1 d . . . . .
V1 V 0.29766(5) 0.16402(3) 0.42846(5) 0.01256(12) Uani 1 1 d . . . . .
O13 O 0.5852(2) -0.06125(13) 0.47595(19) 0.0120(4) Uani 1 1 d . . . . .
O12 O 0.6652(2) 0.06300(14) 0.60348(19) 0.0126(4) Uani 1 1 d . . . . .
O4 O 0.1679(2) 0.06501(14) 0.43651(19) 0.0141(4) Uani 1 1 d D . . . .
O10 O 0.3774(2) -0.09080(14) 0.59849(18) 0.0126(4) Uani 1 1 d . . . . .
O14 O 0.6260(2) -0.09197(14) 0.69064(19) 0.0138(4) Uani 1 1 d . . . . .
O3 O 0.4519(2) 0.21674(14) 0.44396(18) 0.0136(4) Uani 1 1 d . . . . .
O6 O 0.2111(2) 0.03449(14) 0.65985(19) 0.0144(4) Uani 1 1 d . . . . .
O11 O 0.4554(2) 0.03538(14) 0.73993(19) 0.0140(4) Uani 1 1 d . . . . .
O5 O 0.1103(2) -0.08608(15) 0.5340(2) 0.0157(5) Uani 1 1 d . . . . .
O2 O 0.2462(2) 0.18799(14) 0.57385(19) 0.0142(4) Uani 1 1 d . . . . .
O8 O 0.4918(2) 0.18551(14) 0.66253(19) 0.0143(4) Uani 1 1 d . . . . .
O7 O 0.2776(2) 0.16699(15) 0.7958(2) 0.0171(5) Uani 1 1 d . . . . .
O1 O 0.2089(2) 0.22690(15) 0.3529(2) 0.0166(5) Uani 1 1 d . . . . .
O9 O 0.6968(2) 0.22827(15) 0.5374(2) 0.0163(5) Uani 1 1 d . . . . .
N2 N 0.8875(3) -0.06458(18) 0.8766(2) 0.0173(6) Uani 1 1 d . . . . .
C7 C 0.8336(3) -0.0008(2) 0.8172(3) 0.0177(7) Uani 1 1 d . . . . .
H7 H 0.853104 0.004663 0.741645 0.021 Uiso 1 1 calc R U . . .
C9 C 0.7204(3) 0.0473(2) 0.9797(3) 0.0166(6) Uani 1 1 d . . . . .
C8 C 0.7502(3) 0.0564(2) 0.8663(3) 0.0178(7) Uani 1 1 d . . . . .
H8 H 0.714277 0.100493 0.824602 0.021 Uiso 1 1 calc R U . . .
C4 C 0.5438(3) 0.1581(2) 0.9774(3) 0.0174(6) Uani 1 1 d . . . . .
H4 H 0.525141 0.146469 0.902176 0.021 Uiso 1 1 calc R U . . .
C12 C 0.9785(4) -0.1247(2) 0.8213(3) 0.0206(7) Uani 1 1 d . . . . .
H12A H 0.927374 -0.169780 0.789004 0.031 Uiso 1 1 calc R U . . .
H12B H 1.040940 -0.146662 0.875955 0.031 Uiso 1 1 calc R U . . .
H12C H 1.025908 -0.096373 0.763404 0.031 Uiso 1 1 calc R U . . .
C10 C 0.7746(4) -0.0212(2) 1.0379(3) 0.0210(7) Uani 1 1 d . . . . .
H10 H 0.754928 -0.029229 1.113074 0.025 Uiso 1 1 calc R U . . .
C3 C 0.6370(3) 0.1106(2) 1.0365(3) 0.0172(7) Uani 1 1 d . . . . .
C2 C 0.6575(3) 0.1264(2) 1.1511(3) 0.0171(6) Uani 1 1 d . . . . .
H2 H 0.716140 0.093413 1.193445 0.021 Uiso 1 1 calc R U . . .
C11 C 0.8565(4) -0.0767(2) 0.9851(3) 0.0209(7) Uani 1 1 d . . . . .
H11 H 0.890715 -0.122650 1.024029 0.025 Uiso 1 1 calc R U . . .
N1 N 0.5049(3) 0.23884(18) 1.1396(2) 0.0152(5) Uani 1 1 d . . . . .
C5 C 0.4786(3) 0.2228(2) 1.0302(3) 0.0179(7) Uani 1 1 d . . . . .
H5 H 0.416710 0.255225 0.990466 0.021 Uiso 1 1 calc R U . . .
C1 C 0.5899(3) 0.1914(2) 1.2007(3) 0.0158(6) Uani 1 1 d . . . . .
H1 H 0.603189 0.202354 1.276719 0.019 Uiso 1 1 calc R U . . .
C6 C 0.4472(3) 0.3140(2) 1.1936(3) 0.0175(7) Uani 1 1 d . . . . .
H6A H 0.506070 0.360744 1.184638 0.026 Uiso 1 1 calc R U . . .
H6B H 0.435791 0.303228 1.272042 0.026 Uiso 1 1 calc R U . . .
H6C H 0.362243 0.326485 1.158893 0.026 Uiso 1 1 calc R U . . .
H4A H 0.074(2) 0.080(4) 0.451(5) 0.067(19) 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
V5 V2 3.1007(8) . ?
V5 V3 3.0927(8) . ?
V5 V4 3.1033(8) . ?
V5 V1 3.0406(7) 3_656 ?
V5 O13 2.108(2) 3_656 ?
V5 O13 2.102(2) . ?
V5 O12 1.916(2) . ?
V5 O10 1.954(2) . ?
V5 O14 1.696(2) . ?
V5 O11 1.690(2) . ?
V2 V3 3.0767(8) . ?
V2 V4 3.1013(8) . ?
V2 V1 3.0628(8) . ?
V2 O13 2.325(2) 3_656 ?
V2 O6 1.948(2) . ?
V2 O11 2.063(2) . ?
V2 O2 1.782(2) . ?
V2 O8 1.858(2) . ?
V2 O7 1.609(2) . ?
V3 V4 3.0180(7) 3_656 ?
V3 V1 3.0815(8) . ?
V3 O13 2.288(2) 3_656 ?
V3 O12 1.939(2) . ?
V3 O10 2.024(2) 3_656 ?
V3 O3 1.901(2) . ?
V3 O8 1.786(2) . ?
V3 O9 1.605(2) . ?
V4 O13 2.245(2) 3_656 ?
V4 O12 2.071(2) 3_656 ?
V4 O4 1.976(2) . ?
V4 O10 1.901(2) . ?
V4 O6 1.742(2) . ?
V4 O5 1.620(2) . ?
V1 O13 2.305(2) 3_656 ?
V1 O4 2.052(2) . ?
V1 O14 1.993(2) 3_656 ?
V1 O3 1.768(2) . ?
V1 O2 1.859(2) . ?
V1 O1 1.606(2) . ?
O4 H4A 0.993(10) . ?
N2 C7 1.346(4) . ?
N2 C12 1.489(4) . ?
N2 C11 1.350(4) . ?
C7 H7 0.9300 . ?
C7 C8 1.379(5) . ?
C9 C8 1.398(5) . ?
C9 C10 1.400(5) . ?
C9 C3 1.484(5) . ?
C8 H8 0.9300 . ?
C4 H4 0.9300 . ?
C4 C3 1.385(5) . ?
C4 C5 1.383(5) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C10 H10 0.9300 . ?
C10 C11 1.370(5) . ?
C3 C2 1.400(5) . ?
C2 H2 0.9300 . ?
C2 C1 1.380(5) . ?
C11 H11 0.9300 . ?
N1 C5 1.349(4) . ?
N1 C1 1.343(4) . ?
N1 C6 1.485(4) . ?
C5 H5 0.9300 . ?
C1 H1 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?

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
V2 V5 V4 59.984(17) . . ?
V3 V5 V2 59.573(17) . . ?
V3 V5 V4 93.49(2) . . ?
V1 V5 V2 175.06(2) 3_656 . ?
V1 V5 V3 121.10(2) 3_656 . ?
V1 V5 V4 115.25(2) 3_656 . ?
O13 V5 V2 48.55(6) 3_656 . ?
O13 V5 V2 127.22(6) . . ?
O13 V5 V3 86.03(6) . . ?
O13 V5 V3 47.70(6) 3_656 . ?
O13 V5 V4 46.34(6) 3_656 . ?
O13 V5 V4 86.44(6) . . ?
O13 V5 V1 127.64(6) 3_656 3_656 ?
O13 V5 V1 49.21(6) . 3_656 ?
O13 V5 O13 78.69(9) . 3_656 ?
O12 V5 V2 90.05(7) . . ?
O12 V5 V3 36.92(7) . . ?
O12 V5 V4 129.19(7) . . ?
O12 V5 V1 92.51(7) . 3_656 ?
O12 V5 O13 81.04(9) . . ?
O12 V5 O13 82.87(9) . 3_656 ?
O12 V5 O10 156.71(10) . . ?
O10 V5 V2 90.39(7) . . ?
O10 V5 V3 127.65(7) . . ?
O10 V5 V4 35.83(7) . . ?
O10 V5 V1 85.59(7) . 3_656 ?
O10 V5 O13 80.03(9) . 3_656 ?
O10 V5 O13 80.19(9) . . ?
O14 V5 V2 145.88(8) . . ?
O14 V5 V3 134.20(8) . . ?
O14 V5 V4 131.09(8) . . ?
O14 V5 V1 37.80(8) . 3_656 ?
O14 V5 O13 165.39(10) . 3_656 ?
O14 V5 O13 86.88(10) . . ?
O14 V5 O12 97.29(10) . . ?
O14 V5 O10 95.35(10) . . ?
O11 V5 V2 38.37(8) . . ?
O11 V5 V3 84.73(8) . . ?
O11 V5 V4 83.07(8) . . ?
O11 V5 V1 145.04(8) . 3_656 ?
O11 V5 O13 86.88(10) . 3_656 ?
O11 V5 O13 165.55(10) . . ?
O11 V5 O12 97.96(11) . . ?
O11 V5 O10 96.78(10) . . ?
O11 V5 O14 107.51(11) . . ?
V5 V2 V4 60.049(17) . . ?
V3 V2 V5 60.085(17) . . ?
V3 V2 V4 93.85(2) . . ?
V1 V2 V5 90.98(2) . . ?
V1 V2 V3 60.252(18) . . ?
V1 V2 V4 65.293(18) . . ?
O13 V2 V5 42.81(6) 3_656 . ?
O13 V2 V3 47.65(6) 3_656 . ?
O13 V2 V4 46.20(6) 3_656 . ?
O13 V2 V1 48.30(6) 3_656 . ?
O6 V2 V5 77.86(7) . . ?
O6 V2 V3 124.27(7) . . ?
O6 V2 V4 30.81(7) . . ?
O6 V2 V1 87.90(7) . . ?
O6 V2 O13 76.75(9) . 3_656 ?
O6 V2 O11 81.19(9) . . ?
O11 V2 V5 30.57(6) . . ?
O11 V2 V3 79.74(7) . . ?
O11 V2 V4 78.04(7) . . ?
O11 V2 V1 121.54(7) . . ?
O11 V2 O13 73.35(8) . 3_656 ?
O2 V2 V5 124.30(8) . . ?
O2 V2 V3 84.44(7) . . ?
O2 V2 V4 83.61(8) . . ?
O2 V2 V1 33.50(7) . . ?
O2 V2 O13 81.48(9) . 3_656 ?
O2 V2 O6 91.85(10) . . ?
O2 V2 O11 154.79(10) . . ?
O2 V2 O8 93.94(10) . . ?
O8 V2 V5 77.85(7) . . ?
O8 V2 V3 31.68(7) . . ?
O8 V2 V4 124.97(7) . . ?
O8 V2 V1 83.06(7) . . ?
O8 V2 O13 78.96(9) . 3_656 ?
O8 V2 O6 153.88(10) . . ?
O8 V2 O11 82.80(10) . . ?
O7 V2 V5 131.44(9) . . ?
O7 V2 V3 134.63(9) . . ?
O7 V2 V4 131.04(9) . . ?
O7 V2 V1 137.57(9) . . ?
O7 V2 O13 173.75(10) . 3_656 ?
O7 V2 O6 100.24(11) . . ?
O7 V2 O11 100.87(11) . . ?
O7 V2 O2 104.21(12) . . ?
O7 V2 O8 102.96(12) . . ?
V2 V3 V5 60.343(17) . . ?
V2 V3 V1 59.651(17) . . ?
V4 V3 V5 63.650(18) 3_656 . ?
V4 V3 V2 123.64(2) 3_656 . ?
V4 V3 V1 116.58(2) 3_656 . ?
V1 V3 V5 90.78(2) . . ?
O13 V3 V5 42.96(6) 3_656 . ?
O13 V3 V2 48.67(6) 3_656 . ?
O13 V3 V4 85.42(6) 3_656 3_656 ?
O13 V3 V1 48.09(6) 3_656 . ?
O12 V3 V5 36.41(7) . . ?
O12 V3 V2 90.33(7) . . ?
O12 V3 V4 42.85(7) . 3_656 ?
O12 V3 V1 125.66(7) . . ?
O12 V3 O13 77.75(9) . 3_656 ?
O12 V3 O10 77.26(9) . 3_656 ?
O10 V3 V5 80.48(6) 3_656 . ?
O10 V3 V2 123.04(7) 3_656 . ?
O10 V3 V4 38.29(6) 3_656 3_656 ?
O10 V3 V1 83.36(7) 3_656 . ?
O10 V3 O13 74.38(9) 3_656 3_656 ?
O3 V3 V5 122.19(7) . . ?
O3 V3 V2 82.15(7) . . ?
O3 V3 V4 124.98(7) . 3_656 ?
O3 V3 V1 31.55(7) . . ?
O3 V3 O13 79.27(9) . 3_656 ?
O3 V3 O12 154.80(10) . . ?
O3 V3 O10 86.73(9) . 3_656 ?
O8 V3 V5 78.97(8) . . ?
O8 V3 V2 33.12(8) . . ?
O8 V3 V4 136.52(8) . 3_656 ?
O8 V3 V1 83.60(8) . . ?
O8 V3 O13 81.40(9) . 3_656 ?
O8 V3 O12 93.75(10) . . ?
O8 V3 O10 155.43(10) . 3_656 ?
O8 V3 O3 92.91(10) . . ?
O9 V3 V5 138.23(9) . . ?
O9 V3 V2 135.65(9) . . ?
O9 V3 V4 91.80(9) . 3_656 ?
O9 V3 V1 130.99(9) . . ?
O9 V3 O13 175.48(11) . 3_656 ?
O9 V3 O12 102.59(11) . . ?
O9 V3 O10 101.24(11) . 3_656 ?
O9 V3 O3 99.51(11) . . ?
O9 V3 O8 103.04(12) . . ?
V2 V4 V5 59.966(17) . . ?
V3 V4 V5 63.869(18) 3_656 . ?
V3 V4 V2 123.47(2) 3_656 . ?
O13 V4 V5 42.78(6) 3_656 . ?
O13 V4 V2 48.35(6) 3_656 . ?
O13 V4 V3 85.48(6) 3_656 3_656 ?
O12 V4 V5 81.48(6) 3_656 . ?
O12 V4 V2 122.74(7) 3_656 . ?
O12 V4 V3 39.57(6) 3_656 3_656 ?
O12 V4 O13 74.45(9) 3_656 3_656 ?
O4 V4 V5 120.88(7) . . ?
O4 V4 V2 82.76(7) . . ?
O4 V4 V3 122.90(7) . 3_656 ?
O4 V4 O13 78.10(9) . 3_656 ?
O4 V4 O12 83.34(9) . 3_656 ?
O10 V4 V5 36.98(7) . . ?
O10 V4 V2 91.37(7) . . ?
O10 V4 V3 41.27(7) . 3_656 ?
O10 V4 O13 77.68(9) . 3_656 ?
O10 V4 O12 76.97(9) . 3_656 ?
O10 V4 O4 152.09(10) . . ?
O6 V4 V5 80.43(8) . . ?
O6 V4 V2 34.95(8) . . ?
O6 V4 V3 137.54(8) . 3_656 ?
O6 V4 O13 83.00(10) . 3_656 ?
O6 V4 O12 157.33(10) . 3_656 ?
O6 V4 O4 94.34(10) . . ?
O6 V4 O10 96.28(10) . . ?
O5 V4 V5 139.78(9) . . ?
O5 V4 V2 137.20(9) . . ?
O5 V4 V3 91.54(8) . 3_656 ?
O5 V4 O13 173.76(11) . 3_656 ?
O5 V4 O12 99.80(11) . 3_656 ?
O5 V4 O4 99.04(11) . . ?
O5 V4 O10 103.62(11) . . ?
O5 V4 O6 102.83(11) . . ?
V5 V1 V2 92.52(2) 3_656 . ?
V5 V1 V3 63.873(18) 3_656 . ?
V2 V1 V3 60.097(18) . . ?
O13 V1 V5 43.67(6) 3_656 3_656 ?
O13 V1 V2 48.86(6) 3_656 . ?
O13 V1 V3 47.62(6) 3_656 . ?
O4 V1 V5 77.56(7) . 3_656 ?
O4 V1 V2 82.62(7) . . ?
O4 V1 V3 122.84(7) . . ?
O4 V1 O13 75.27(8) . 3_656 ?
O14 V1 V5 31.44(7) 3_656 3_656 ?
O14 V1 V2 123.82(7) 3_656 . ?
O14 V1 V3 85.87(7) 3_656 . ?
O14 V1 O13 75.01(9) 3_656 3_656 ?
O14 V1 O4 80.95(9) 3_656 . ?
O3 V1 V5 83.41(7) . 3_656 ?
O3 V1 V2 84.58(7) . . ?
O3 V1 V3 34.24(7) . . ?
O3 V1 O13 81.46(9) . 3_656 ?
O3 V1 O4 156.50(10) . . ?
O3 V1 O14 90.01(10) . 3_656 ?
O3 V1 O2 93.73(10) . . ?
O2 V1 V5 124.01(7) . 3_656 ?
O2 V1 V2 31.95(7) . . ?
O2 V1 V3 83.13(7) . . ?
O2 V1 O13 80.50(9) . 3_656 ?
O2 V1 O4 85.72(10) . . ?
O2 V1 O14 154.38(10) . 3_656 ?
O1 V1 V5 131.72(9) . 3_656 ?
O1 V1 V2 135.35(9) . . ?
O1 V1 V3 137.75(9) . . ?
O1 V1 O13 173.25(11) . 3_656 ?
O1 V1 O4 99.37(11) . . ?
O1 V1 O14 100.29(11) . 3_656 ?
O1 V1 O3 103.58(12) . . ?
O1 V1 O2 103.42(11) . . ?
V5 O13 V5 101.31(9) . 3_656 ?
V5 O13 V2 169.96(11) . 3_656 ?
V5 O13 V2 88.64(8) 3_656 3_656 ?
V5 O13 V3 89.34(8) 3_656 3_656 ?
V5 O13 V3 94.99(9) . 3_656 ?
V5 O13 V4 90.88(8) 3_656 3_656 ?
V5 O13 V4 95.63(9) . 3_656 ?
V5 O13 V1 87.13(8) . 3_656 ?
V5 O13 V1 169.86(12) 3_656 3_656 ?
V3 O13 V2 83.68(8) 3_656 3_656 ?
V3 O13 V1 84.28(7) 3_656 3_656 ?
V4 O13 V2 85.45(8) 3_656 3_656 ?
V4 O13 V3 169.12(11) 3_656 3_656 ?
V4 O13 V1 93.90(8) 3_656 3_656 ?
V1 O13 V2 82.84(7) 3_656 3_656 ?
V5 O12 V3 106.67(11) . . ?
V5 O12 V4 107.81(11) . 3_656 ?
V3 O12 V4 97.58(10) . 3_656 ?
V4 O4 V1 111.31(11) . . ?
V4 O4 H4A 113(4) . . ?
V1 O4 H4A 115(4) . . ?
V5 O10 V3 108.97(10) . 3_656 ?
V4 O10 V5 107.19(11) . . ?
V4 O10 V3 100.44(10) . 3_656 ?
V5 O14 V1 110.76(12) . 3_656 ?
V1 O3 V3 114.21(12) . . ?
V4 O6 V2 114.24(12) . . ?
V5 O11 V2 111.06(12) . . ?
V2 O2 V1 114.55(12) . . ?
V3 O8 V2 115.20(12) . . ?
C7 N2 C12 119.8(3) . . ?
C7 N2 C11 120.9(3) . . ?
C11 N2 C12 119.2(3) . . ?
N2 C7 H7 119.4 . . ?
N2 C7 C8 121.2(3) . . ?
C8 C7 H7 119.4 . . ?
C8 C9 C10 118.1(3) . . ?
C8 C9 C3 120.3(3) . . ?
C10 C9 C3 121.6(3) . . ?
C7 C8 C9 119.1(3) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C5 C4 C3 119.9(3) . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.5(3) . . ?
C11 C10 H10 119.7 . . ?
C4 C3 C9 121.5(3) . . ?
C4 C3 C2 118.7(3) . . ?
C2 C3 C9 119.7(3) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 C3 119.3(3) . . ?
C1 C2 H2 120.3 . . ?
N2 C11 C10 120.0(3) . . ?
N2 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C5 N1 C6 120.1(3) . . ?
C1 N1 C5 121.7(3) . . ?
C1 N1 C6 118.1(3) . . ?
C4 C5 H5 120.1 . . ?
N1 C5 C4 119.8(3) . . ?
N1 C5 H5 120.1 . . ?
C2 C1 H1 119.8 . . ?
N1 C1 C2 120.3(3) . . ?
N1 C1 H1 119.8 . . ?
N1 C6 H6A 109.5 . . ?
N1 C6 H6B 109.5 . . ?
N1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?

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
V5 V2 O2 V1 -6.83(16) . . . . ?
V5 V2 O8 V3 51.50(11) . . . . ?
V5 V3 O8 V2 -51.40(11) . . . . ?
V5 V4 O6 V2 49.84(10) . . . . ?
V5 V1 O3 V3 -51.83(10) 3_656 . . . ?
V5 V1 O2 V2 11.02(16) 3_656 . . . ?
V2 V5 O14 V1 174.36(5) . . . 3_656 ?
V2 V1 O3 V3 41.35(10) . . . . ?
V3 V5 O14 V1 -85.51(13) . . . 3_656 ?
V3 V5 O11 V2 45.35(10) . . . . ?
V3 V2 O2 V1 40.87(11) . . . . ?
V3 V4 O6 V2 82.09(15) 3_656 . . . ?
V3 V1 O2 V2 -40.92(11) . . . . ?
V4 V5 O14 V1 78.41(13) . . . 3_656 ?
V4 V5 O11 V2 -48.83(10) . . . . ?
V4 V2 O2 V1 -53.64(11) . . . . ?
V4 V2 O8 V3 12.20(17) . . . . ?
V4 V3 O8 V2 -81.76(15) 3_656 . . . ?
V1 V5 O11 V2 -174.00(5) 3_656 . . . ?
V1 V2 O8 V3 -41.01(11) . . . . ?
V1 V3 O8 V2 40.65(11) . . . . ?
O13 V5 O14 V1 5.0(5) 3_656 . . 3_656 ?
O13 V5 O14 V1 -4.12(11) . . . 3_656 ?
O13 V5 O11 V2 -2.44(11) 3_656 . . . ?
O13 V5 O11 V2 -5.1(5) . . . . ?
O13 V2 O2 V1 -7.07(12) 3_656 . . . ?
O13 V2 O8 V3 7.77(12) 3_656 . . . ?
O13 V3 O8 V2 -7.83(12) 3_656 . . . ?
O13 V4 O6 V2 6.66(12) 3_656 . . . ?
O13 V1 O3 V3 -7.80(11) 3_656 . . . ?
O13 V1 O2 V2 7.15(12) 3_656 . . . ?
O12 V5 O14 V1 -84.67(12) . . . 3_656 ?
O12 V5 O11 V2 79.91(12) . . . . ?
O12 V3 O8 V2 -84.84(13) . . . . ?
O12 V4 O6 V2 12.3(3) 3_656 . . . ?
O4 V4 O6 V2 -70.77(13) . . . . ?
O4 V1 O3 V3 -15.9(3) . . . . ?
O4 V1 O2 V2 82.91(13) . . . . ?
O10 V5 O14 V1 75.72(12) . . . 3_656 ?
O10 V5 O11 V2 -82.01(12) . . . . ?
O10 V3 O8 V2 -17.7(3) 3_656 . . . ?
O10 V4 O6 V2 83.38(13) . . . . ?
O14 V5 O11 V2 -179.82(11) . . . . ?
O14 V1 O3 V3 -82.63(13) 3_656 . . . ?
O14 V1 O2 V2 24.3(3) 3_656 . . . ?
O3 V3 O8 V2 70.84(13) . . . . ?
O3 V1 O2 V2 -73.54(14) . . . . ?
O6 V2 O2 V1 -83.38(13) . . . . ?
O6 V2 O8 V3 29.6(3) . . . . ?
O11 V5 O14 V1 174.57(11) . . . 3_656 ?
O11 V2 O2 V1 -10.3(3) . . . . ?
O11 V2 O8 V3 82.12(13) . . . . ?
O5 V4 O6 V2 -171.07(13) . . . . ?
O2 V2 O8 V3 -72.76(14) . . . . ?
O2 V1 O3 V3 72.01(13) . . . . ?
O8 V2 O2 V1 71.14(14) . . . . ?
O7 V2 O2 V1 175.58(13) . . . . ?
O7 V2 O8 V3 -178.32(13) . . . . ?
O1 V1 O3 V3 176.78(12) . . . . ?
O1 V1 O2 V2 -178.46(13) . . . . ?
O9 V3 O8 V2 171.31(13) . . . . ?
N2 C7 C8 C9 -0.6(5) . . . . ?
C7 N2 C11 C10 -3.4(5) . . . . ?
C9 C10 C11 N2 1.2(6) . . . . ?
C9 C3 C2 C1 173.1(3) . . . . ?
C8 C9 C10 C11 1.1(5) . . . . ?
C8 C9 C3 C4 27.1(5) . . . . ?
C8 C9 C3 C2 -149.2(3) . . . . ?
C4 C3 C2 C1 -3.3(5) . . . . ?
C12 N2 C7 C8 -179.2(3) . . . . ?
C12 N2 C11 C10 178.9(3) . . . . ?
C10 C9 C8 C7 -1.5(5) . . . . ?
C10 C9 C3 C4 -155.0(3) . . . . ?
C10 C9 C3 C2 28.8(5) . . . . ?
C3 C9 C8 C7 176.6(3) . . . . ?
C3 C9 C10 C11 -176.9(3) . . . . ?
C3 C4 C5 N1 -0.7(5) . . . . ?
C3 C2 C1 N1 0.2(5) . . . . ?
C11 N2 C7 C8 3.1(5) . . . . ?
C5 C4 C3 C9 -172.7(3) . . . . ?
C5 C4 C3 C2 3.6(5) . . . . ?
C5 N1 C1 C2 2.8(5) . . . . ?
C1 N1 C5 C4 -2.5(5) . . . . ?
C6 N1 C5 C4 173.0(3) . . . . ?
C6 N1 C1 C2 -172.8(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_b
_audit_block_doi                 10.5517/ccdc.csd.cc2pfcr8
_database_code_depnum_ccdc_archive 'CCDC 2485510'
loop_
_audit_author_name
_audit_author_address
'Zhang Zexun'
;FuZhou University
China
;
_audit_update_record             
;
2025-09-05 deposited with the CCDC.	2026-03-25 downloaded from the CCDC.
;
_audit_creation_date             2025-08-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7308)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'H2 O28 V10, 2(C12 H14 N2)'
_chemical_formula_sum            'C24 H30 N4 O28 V10'
_chemical_formula_weight         1331.92
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.0240(2)
_cell_length_b                   15.9986(3)
_cell_length_c                   11.9042(2)
_cell_angle_alpha                90
_cell_angle_beta                 91.101(2)
_cell_angle_gamma                90
_cell_volume                     1908.72(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    17302
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.4660
_cell_measurement_theta_min      2.1140
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.440
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.317
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.897
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            37357
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.897
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.304
_diffrn_reflns_theta_min         2.133
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3305
_reflns_number_total             4681
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.741
_refine_diff_density_min         -0.791
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.187
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         4681
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1006
_refine_ls_R_factor_gt           0.0576
_refine_ls_restrained_S_all      1.187
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0404P)²+19.5861P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1623
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O4-H4A
 1 with sigma of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C5(H5), C7(H7), C8(H8), C10(H10), C11(H11)
3.b Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
V1 V 0.70267(10) 0.83664(6) 0.57171(8) 0.0187(2) Uani 1 1 d . . . . .
V2 V 0.66871(10) 0.87104(6) 0.31968(8) 0.0192(2) Uani 1 1 d . . . . .
V3 V 0.42131(10) 0.83973(6) 0.46311(8) 0.0179(2) Uani 1 1 d . . . . .
V4 V 0.76279(10) 1.02325(6) 0.46155(8) 0.0176(2) Uani 1 1 d . . . . .
V5 V 0.47320(10) 1.01618(6) 0.36650(8) 0.0172(2) Uani 1 1 d . . . . .
O1 O 0.7908(4) 0.7738(3) 0.6474(3) 0.0230(9) Uani 1 1 d . . . . .
O2 O 0.7544(4) 0.8123(3) 0.4266(3) 0.0211(9) Uani 1 1 d . . . . .
O3 O 0.5486(4) 0.7837(3) 0.5562(3) 0.0201(8) Uani 1 1 d . . . . .
O4 O 0.8326(4) 0.9351(3) 0.5628(3) 0.0204(9) Uani 1 1 d D . . . .
O5 O 0.8896(4) 1.0860(3) 0.4656(3) 0.0210(9) Uani 1 1 d . . . . .
O6 O 0.7901(4) 0.9656(3) 0.3393(3) 0.0203(8) Uani 1 1 d . . . . .
O7 O 0.7239(4) 0.8332(3) 0.2036(3) 0.0232(9) Uani 1 1 d . . . . .
O8 O 0.5085(4) 0.8148(3) 0.3380(3) 0.0202(8) Uani 1 1 d . . . . .
O9 O 0.3036(4) 0.7723(3) 0.4642(4) 0.0216(9) Uani 1 1 d . . . . .
O10 O 0.6232(4) 1.0907(2) 0.4009(3) 0.0179(8) Uani 1 1 d . . . . .
O11 O 0.5450(4) 0.9645(3) 0.2598(3) 0.0191(8) Uani 1 1 d . . . . .
O12 O 0.3353(4) 0.9370(2) 0.3963(3) 0.0173(8) Uani 1 1 d . . . . .
O13 O 0.4141(4) 1.0614(2) 0.5247(3) 0.0171(8) Uani 1 1 d . . . . .
O14 O 0.3744(4) 1.0913(3) 0.3091(3) 0.0195(8) Uani 1 1 d . . . . .
N1 N 0.4954(5) 0.7610(3) -0.1391(4) 0.0212(10) Uani 1 1 d . . . . .
N2 N 0.1125(5) 1.0646(3) 0.1239(4) 0.0233(11) Uani 1 1 d . . . . .
C1 C 0.4100(6) 0.8086(4) -0.2004(5) 0.0211(12) Uani 1 1 d . . . . .
H1 H 0.396562 0.797675 -0.276450 0.025 Uiso 1 1 calc R U . . .
C2 C 0.3427(6) 0.8734(4) -0.1507(5) 0.0232(12) Uani 1 1 d . . . . .
H2 H 0.284124 0.906346 -0.192954 0.028 Uiso 1 1 calc R U . . .
C3 C 0.3631(6) 0.8892(4) -0.0359(5) 0.0239(13) Uani 1 1 d . . . . .
C4 C 0.4554(6) 0.8419(4) 0.0229(5) 0.0234(13) Uani 1 1 d . . . . .
H4 H 0.473494 0.853760 0.098158 0.028 Uiso 1 1 calc R U . . .
C5 C 0.5214(6) 0.7768(4) -0.0285(5) 0.0257(13) Uani 1 1 d . . . . .
H5 H 0.582619 0.744310 0.011847 0.031 Uiso 1 1 calc R U . . .
C6 C 0.5528(6) 0.6864(4) -0.1933(5) 0.0232(13) Uani 1 1 d . . . . .
H6A H 0.493515 0.639806 -0.184851 0.035 Uiso 1 1 calc R U . . .
H6B H 0.637592 0.673542 -0.158574 0.035 Uiso 1 1 calc R U . . .
H6C H 0.564731 0.697377 -0.271796 0.035 Uiso 1 1 calc R U . . .
C7 C 0.1653(6) 1.0010(4) 0.1829(5) 0.0252(13) Uani 1 1 d . . . . .
H7 H 0.145035 0.995291 0.258450 0.030 Uiso 1 1 calc R U . . .
C8 C 0.2493(6) 0.9437(4) 0.1339(5) 0.0239(13) Uani 1 1 d . . . . .
H8 H 0.285386 0.899850 0.175878 0.029 Uiso 1 1 calc R U . . .
C9 C 0.2790(6) 0.9525(4) 0.0206(5) 0.0230(12) Uani 1 1 d . . . . .
C10 C 0.2268(7) 1.0209(4) -0.0375(6) 0.0278(14) Uani 1 1 d . . . . .
H10 H 0.247720 1.028982 -0.112512 0.033 Uiso 1 1 calc R U . . .
C11 C 0.1447(7) 1.0763(4) 0.0151(5) 0.0269(14) Uani 1 1 d . . . . .
H11 H 0.111003 1.122242 -0.024128 0.032 Uiso 1 1 calc R U . . .
C12 C 0.0213(6) 1.1249(4) 0.1785(5) 0.0265(13) Uani 1 1 d . . . . .
H12A H -0.029021 1.096481 0.234727 0.040 Uiso 1 1 calc R U . . .
H12B H -0.038718 1.148230 0.123041 0.040 Uiso 1 1 calc R U . . .
H12C H 0.072654 1.168893 0.213045 0.040 Uiso 1 1 calc R U . . .
H4A H 0.929(3) 0.924(7) 0.550(9) 0.08(4) 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 V2 3.0628(14) . ?
V1 V3 3.0803(14) . ?
V1 V5 3.0402(14) 3_676 ?
V1 O1 1.604(4) . ?
V1 O2 1.855(4) . ?
V1 O3 1.767(4) . ?
V1 O4 2.048(4) . ?
V1 O13 2.301(4) 3_676 ?
V1 O14 1.996(4) 3_676 ?
V2 V3 3.0788(14) . ?
V2 V4 3.1000(14) . ?
V2 V5 3.0961(14) . ?
V2 O2 1.789(4) . ?
V2 O6 1.953(4) . ?
V2 O7 1.616(4) . ?
V2 O8 1.858(4) . ?
V2 O11 2.061(4) . ?
V2 O13 2.312(4) 3_676 ?
V3 V4 3.0132(14) 3_676 ?
V3 V5 3.0960(14) . ?
V3 O3 1.899(4) . ?
V3 O8 1.787(4) . ?
V3 O9 1.600(4) . ?
V3 O10 2.021(4) 3_676 ?
V3 O12 1.941(4) . ?
V3 O13 2.288(4) 3_676 ?
V4 V5 3.0973(14) . ?
V4 O4 1.975(4) . ?
V4 O5 1.620(4) . ?
V4 O6 1.748(4) . ?
V4 O10 1.899(4) . ?
V4 O12 2.074(4) 3_676 ?
V4 O13 2.240(4) 3_676 ?
V5 O10 1.956(4) . ?
V5 O11 1.688(4) . ?
V5 O12 1.913(4) . ?
V5 O13 2.107(4) 3_676 ?
V5 O13 2.113(4) . ?
V5 O14 1.693(4) . ?
O4 H4A 0.998(10) . ?
N1 C1 1.350(8) . ?
N1 C5 1.361(8) . ?
N1 C6 1.478(8) . ?
N2 C7 1.341(8) . ?
N2 C11 1.354(8) . ?
N2 C12 1.487(8) . ?
C1 H1 0.9300 . ?
C1 C2 1.376(9) . ?
C2 H2 0.9300 . ?
C2 C3 1.401(9) . ?
C3 C4 1.377(9) . ?
C3 C9 1.487(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.383(9) . ?
C5 H5 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7 0.9300 . ?
C7 C8 1.381(9) . ?
C8 H8 0.9300 . ?
C8 C9 1.394(9) . ?
C9 C10 1.392(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.369(9) . ?
C11 H11 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?

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
V2 V1 V3 60.16(3) . . ?
V5 V1 V2 92.51(4) 3_676 . ?
V5 V1 V3 63.81(3) 3_676 . ?
O1 V1 V2 135.42(16) . . ?
O1 V1 V3 137.37(17) . . ?
O1 V1 V5 131.73(16) . 3_676 ?
O1 V1 O2 103.3(2) . . ?
O1 V1 O3 103.2(2) . . ?
O1 V1 O4 99.6(2) . . ?
O1 V1 O13 173.6(2) . 3_676 ?
O1 V1 O14 100.4(2) . 3_676 ?
O2 V1 V2 32.13(13) . . ?
O2 V1 V3 83.26(14) . . ?
O2 V1 V5 124.19(14) . 3_676 ?
O2 V1 O4 85.64(18) . . ?
O2 V1 O13 80.38(17) . 3_676 ?
O2 V1 O14 154.52(18) . 3_676 ?
O3 V1 V2 84.46(13) . . ?
O3 V1 V3 34.19(13) . . ?
O3 V1 V5 83.49(14) . 3_676 ?
O3 V1 O2 93.54(19) . . ?
O3 V1 O4 156.66(18) . . ?
O3 V1 O13 81.51(17) . 3_676 ?
O3 V1 O14 90.09(18) . 3_676 ?
O4 V1 V2 82.54(12) . . ?
O4 V1 V3 122.97(12) . . ?
O4 V1 V5 77.82(12) . 3_676 ?
O4 V1 O13 75.35(15) . 3_676 ?
O13 V1 V2 48.56(10) 3_676 . ?
O13 V1 V3 47.66(10) 3_676 . ?
O13 V1 V5 43.95(10) 3_676 3_676 ?
O14 V1 V2 123.75(13) 3_676 . ?
O14 V1 V3 85.73(12) 3_676 . ?
O14 V1 V5 31.38(12) 3_676 3_676 ?
O14 V1 O4 81.22(17) 3_676 . ?
O14 V1 O13 75.23(15) 3_676 3_676 ?
V1 V2 V3 60.20(3) . . ?
V1 V2 V4 65.20(3) . . ?
V1 V2 V5 90.99(4) . . ?
V3 V2 V4 93.76(4) . . ?
V3 V2 V5 60.18(3) . . ?
V5 V2 V4 59.98(3) . . ?
O2 V2 V1 33.48(13) . . ?
O2 V2 V3 84.32(14) . . ?
O2 V2 V4 83.59(14) . . ?
O2 V2 V5 124.28(14) . . ?
O2 V2 O6 91.86(19) . . ?
O2 V2 O8 93.81(19) . . ?
O2 V2 O11 154.82(18) . . ?
O2 V2 O13 81.40(17) . 3_676 ?
O6 V2 V1 87.98(13) . . ?
O6 V2 V3 124.49(13) . . ?
O6 V2 V4 31.11(12) . . ?
O6 V2 V5 78.01(12) . . ?
O6 V2 O11 81.29(17) . . ?
O6 V2 O13 76.96(16) . 3_676 ?
O7 V2 V1 137.48(16) . . ?
O7 V2 V3 134.90(17) . . ?
O7 V2 V4 130.89(17) . . ?
O7 V2 V5 131.53(16) . . ?
O7 V2 O2 104.1(2) . . ?
O7 V2 O6 99.8(2) . . ?
O7 V2 O8 103.3(2) . . ?
O7 V2 O11 100.9(2) . . ?
O7 V2 O13 173.79(19) . 3_676 ?
O8 V2 V1 82.99(13) . . ?
O8 V2 V3 31.64(13) . . ?
O8 V2 V4 124.85(14) . . ?
O8 V2 V5 77.92(13) . . ?
O8 V2 O6 154.09(18) . . ?
O8 V2 O11 82.90(18) . . ?
O8 V2 O13 78.93(16) . 3_676 ?
O11 V2 V1 121.60(12) . . ?
O11 V2 V3 79.87(12) . . ?
O11 V2 V4 78.07(12) . . ?
O11 V2 V5 30.61(11) . . ?
O11 V2 O13 73.46(15) . 3_676 ?
O13 V2 V1 48.23(10) 3_676 . ?
O13 V2 V3 47.66(10) 3_676 . ?
O13 V2 V4 46.10(10) 3_676 . ?
O13 V2 V5 42.88(10) 3_676 . ?
V1 V3 V5 90.66(4) . . ?
V2 V3 V1 59.64(3) . . ?
V2 V3 V5 60.19(3) . . ?
V4 V3 V1 116.60(4) 3_676 . ?
V4 V3 V2 123.45(4) 3_676 . ?
V4 V3 V5 63.60(3) 3_676 . ?
O3 V3 V1 31.53(13) . . ?
O3 V3 V2 82.01(13) . . ?
O3 V3 V4 125.31(13) . 3_676 ?
O3 V3 V5 122.08(14) . . ?
O3 V3 O10 87.04(17) . 3_676 ?
O3 V3 O12 154.86(18) . . ?
O3 V3 O13 79.22(16) . 3_676 ?
O8 V3 V1 83.55(14) . . ?
O8 V3 V2 33.06(13) . . ?
O8 V3 V4 136.31(14) . 3_676 ?
O8 V3 V5 78.80(14) . . ?
O8 V3 O3 92.70(19) . . ?
O8 V3 O10 155.48(18) . 3_676 ?
O8 V3 O12 93.32(18) . . ?
O8 V3 O13 81.00(17) . 3_676 ?
O9 V3 V1 130.96(16) . . ?
O9 V3 V2 135.76(16) . . ?
O9 V3 V4 91.86(16) . 3_676 ?
O9 V3 V5 138.37(16) . . ?
O9 V3 O3 99.5(2) . . ?
O9 V3 O8 103.2(2) . . ?
O9 V3 O10 101.01(19) . 3_676 ?
O9 V3 O12 102.8(2) . . ?
O9 V3 O13 175.69(19) . 3_676 ?
O10 V3 V1 83.52(12) 3_676 . ?
O10 V3 V2 123.17(12) 3_676 . ?
O10 V3 V4 38.30(12) 3_676 3_676 ?
O10 V3 V5 80.60(12) 3_676 . ?
O10 V3 O13 74.86(15) 3_676 3_676 ?
O12 V3 V1 125.48(12) . . ?
O12 V3 V2 89.90(12) . . ?
O12 V3 V4 43.07(12) . 3_676 ?
O12 V3 V5 36.25(12) . . ?
O12 V3 O10 77.52(16) . 3_676 ?
O12 V3 O13 77.66(15) . 3_676 ?
O13 V3 V1 48.01(10) 3_676 . ?
O13 V3 V2 48.32(10) 3_676 . ?
O13 V3 V4 85.61(10) 3_676 3_676 ?
O13 V3 V5 42.89(10) 3_676 . ?
V3 V4 V2 123.51(4) 3_676 . ?
V3 V4 V5 63.91(3) 3_676 . ?
V5 V4 V2 59.95(3) . . ?
O4 V4 V2 82.66(13) . . ?
O4 V4 V3 123.35(13) . 3_676 ?
O4 V4 V5 121.05(13) . . ?
O4 V4 O12 83.63(17) . 3_676 ?
O4 V4 O13 78.18(16) . 3_676 ?
O5 V4 V2 137.20(16) . . ?
O5 V4 V3 91.41(15) . 3_676 ?
O5 V4 V5 139.72(16) . . ?
O5 V4 O4 99.0(2) . . ?
O5 V4 O6 102.5(2) . . ?
O5 V4 O10 103.3(2) . . ?
O5 V4 O12 99.75(19) . 3_676 ?
O5 V4 O13 174.01(19) . 3_676 ?
O6 V4 V2 35.24(14) . . ?
O6 V4 V3 137.54(14) . 3_676 ?
O6 V4 V5 80.63(14) . . ?
O6 V4 O4 94.15(19) . . ?
O6 V4 O10 96.28(18) . . ?
O6 V4 O12 157.70(18) . 3_676 ?
O6 V4 O13 83.02(18) . 3_676 ?
O10 V4 V2 91.45(13) . . ?
O10 V4 V3 41.28(12) . 3_676 ?
O10 V4 V5 37.18(12) . . ?
O10 V4 O4 152.63(18) . . ?
O10 V4 O12 77.18(16) . 3_676 ?
O10 V4 O13 78.07(16) . 3_676 ?
O12 V4 V2 122.79(12) 3_676 . ?
O12 V4 V3 39.73(11) 3_676 3_676 ?
O12 V4 V5 81.57(11) 3_676 . ?
O12 V4 O13 74.79(15) 3_676 3_676 ?
O13 V4 V2 48.06(10) 3_676 . ?
O13 V4 V3 85.89(11) 3_676 3_676 ?
O13 V4 V5 42.87(10) 3_676 . ?
V1 V5 V2 175.16(5) 3_676 . ?
V1 V5 V3 120.93(4) 3_676 . ?
V1 V5 V4 115.28(4) 3_676 . ?
V2 V5 V4 60.07(3) . . ?
V3 V5 V2 59.63(3) . . ?
V3 V5 V4 93.47(4) . . ?
O10 V5 V1 85.65(12) . 3_676 ?
O10 V5 V2 90.47(12) . . ?
O10 V5 V3 127.73(12) . . ?
O10 V5 V4 35.91(12) . . ?
O10 V5 O13 80.18(16) . 3_676 ?
O10 V5 O13 80.34(16) . . ?
O11 V5 V1 144.99(15) . 3_676 ?
O11 V5 V2 38.42(14) . . ?
O11 V5 V3 84.82(14) . . ?
O11 V5 V4 83.25(14) . . ?
O11 V5 O10 96.84(19) . . ?
O11 V5 O12 97.74(19) . . ?
O11 V5 O13 165.75(18) . . ?
O11 V5 O13 86.68(18) . 3_676 ?
O11 V5 O14 107.4(2) . . ?
O12 V5 V1 92.53(13) . 3_676 ?
O12 V5 V2 89.91(13) . . ?
O12 V5 V3 36.87(12) . . ?
O12 V5 V4 129.17(13) . . ?
O12 V5 O10 156.92(17) . . ?
O12 V5 O13 82.90(16) . 3_676 ?
O12 V5 O13 81.14(16) . . ?
O13 V5 V1 49.08(11) . 3_676 ?
O13 V5 V1 127.91(12) 3_676 3_676 ?
O13 V5 V2 48.30(11) 3_676 . ?
O13 V5 V2 127.36(11) . . ?
O13 V5 V3 47.65(11) 3_676 . ?
O13 V5 V3 85.95(11) . . ?
O13 V5 V4 46.30(11) 3_676 . ?
O13 V5 V4 86.50(11) . . ?
O13 V5 O13 79.08(17) 3_676 . ?
O14 V5 V1 37.88(14) . 3_676 ?
O14 V5 V2 145.79(15) . . ?
O14 V5 V3 134.10(15) . . ?
O14 V5 V4 131.20(15) . . ?
O14 V5 O10 95.36(19) . . ?
O14 V5 O12 97.23(19) . . ?
O14 V5 O13 86.84(18) . . ?
O14 V5 O13 165.74(18) . 3_676 ?
V2 O2 V1 114.4(2) . . ?
V1 O3 V3 114.3(2) . . ?
V1 O4 H4A 120(7) . . ?
V4 O4 V1 111.24(19) . . ?
V4 O4 H4A 111(6) . . ?
V4 O6 V2 113.6(2) . . ?
V3 O8 V2 115.3(2) . . ?
V4 O10 V3 100.43(18) . 3_676 ?
V4 O10 V5 106.91(19) . . ?
V5 O10 V3 108.83(18) . 3_676 ?
V5 O11 V2 111.0(2) . . ?
V3 O12 V4 97.20(17) . 3_676 ?
V5 O12 V3 106.88(19) . . ?
V5 O12 V4 107.66(19) . 3_676 ?
V1 O13 V2 83.21(13) 3_676 3_676 ?
V3 O13 V1 84.33(13) 3_676 3_676 ?
V3 O13 V2 84.02(14) 3_676 3_676 ?
V4 O13 V1 93.99(15) 3_676 3_676 ?
V4 O13 V2 85.83(14) 3_676 3_676 ?
V4 O13 V3 169.8(2) 3_676 3_676 ?
V5 O13 V1 86.96(14) . 3_676 ?
V5 O13 V1 170.3(2) 3_676 3_676 ?
V5 O13 V2 170.2(2) . 3_676 ?
V5 O13 V2 88.82(14) 3_676 3_676 ?
V5 O13 V3 94.53(15) . 3_676 ?
V5 O13 V3 89.46(15) 3_676 3_676 ?
V5 O13 V4 95.38(16) . 3_676 ?
V5 O13 V4 90.83(15) 3_676 3_676 ?
V5 O13 V5 100.92(17) 3_676 . ?
V5 O14 V1 110.7(2) . 3_676 ?
C1 N1 C5 121.7(6) . . ?
C1 N1 C6 118.0(5) . . ?
C5 N1 C6 120.2(5) . . ?
C7 N2 C11 120.5(6) . . ?
C7 N2 C12 120.2(5) . . ?
C11 N2 C12 119.3(5) . . ?
N1 C1 H1 119.8 . . ?
N1 C1 C2 120.3(6) . . ?
C2 C1 H1 119.8 . . ?
C1 C2 H2 120.3 . . ?
C1 C2 C3 119.5(6) . . ?
C3 C2 H2 120.3 . . ?
C2 C3 C9 119.4(6) . . ?
C4 C3 C2 118.7(6) . . ?
C4 C3 C9 121.7(6) . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.8(6) . . ?
C5 C4 H4 119.6 . . ?
N1 C5 C4 118.9(6) . . ?
N1 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
N1 C6 H6A 109.5 . . ?
N1 C6 H6B 109.5 . . ?
N1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 H7 119.3 . . ?
N2 C7 C8 121.4(6) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 120.5 . . ?
C7 C8 C9 119.0(6) . . ?
C9 C8 H8 120.5 . . ?
C8 C9 C3 120.2(6) . . ?
C10 C9 C3 121.4(6) . . ?
C10 C9 C8 118.4(6) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.4(6) . . ?
C11 C10 H10 119.8 . . ?
N2 C11 C10 120.3(6) . . ?
N2 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?

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
V1 V2 O8 V3 41.0(2) . . . . ?
V1 V3 O8 V2 -40.6(2) . . . . ?
V1 V5 O11 V2 174.26(9) 3_676 . . . ?
V2 V1 O3 V3 -41.67(18) . . . . ?
V2 V3 O3 V1 41.67(19) . . . . ?
V2 V4 O10 V3 143.93(14) . . . 3_676 ?
V2 V4 O10 V5 30.42(16) . . . . ?
V2 V5 O14 V1 -174.62(9) . . . 3_676 ?
V3 V1 O2 V2 41.0(2) . . . . ?
V3 V2 O2 V1 -41.0(2) . . . . ?
V3 V4 O6 V2 -82.5(3) 3_676 . . . ?
V3 V4 O10 V5 -113.5(2) 3_676 . . . ?
V3 V5 O11 V2 -45.37(17) . . . . ?
V3 V5 O14 V1 85.4(2) . . . 3_676 ?
V4 V2 O2 V1 53.5(2) . . . . ?
V4 V2 O8 V3 -12.1(3) . . . . ?
V4 V3 O3 V1 -84.0(2) 3_676 . . . ?
V4 V3 O8 V2 81.6(3) 3_676 . . . ?
V4 V5 O11 V2 48.76(17) . . . . ?
V4 V5 O14 V1 -78.4(2) . . . 3_676 ?
V5 V1 O2 V2 -10.8(3) 3_676 . . . ?
V5 V1 O3 V3 51.50(19) 3_676 . . . ?
V5 V2 O2 V1 6.8(3) . . . . ?
V5 V2 O8 V3 -51.5(2) . . . . ?
V5 V3 O3 V1 -5.4(3) . . . . ?
V5 V3 O8 V2 51.31(19) . . . . ?
V5 V4 O6 V2 -49.75(18) . . . . ?
V5 V4 O10 V3 113.5(2) . . . 3_676 ?
O1 V1 O2 V2 178.2(2) . . . . ?
O1 V1 O3 V3 -177.1(2) . . . . ?
O2 V1 O3 V3 -72.5(2) . . . . ?
O2 V2 O8 V3 72.7(3) . . . . ?
O3 V1 O2 V2 73.7(3) . . . . ?
O3 V3 O8 V2 -70.9(2) . . . . ?
O4 V1 O2 V2 -82.9(2) . . . . ?
O4 V1 O3 V3 14.7(6) . . . . ?
O4 V4 O6 V2 71.1(2) . . . . ?
O4 V4 O10 V3 67.2(4) . . . 3_676 ?
O4 V4 O10 V5 -46.3(5) . . . . ?
O5 V4 O6 V2 171.2(2) . . . . ?
O5 V4 O10 V3 -76.6(2) . . . 3_676 ?
O5 V4 O10 V5 169.9(2) . . . . ?
O6 V2 O2 V1 83.5(2) . . . . ?
O6 V2 O8 V3 -29.5(5) . . . . ?
O6 V4 O10 V3 178.93(19) . . . 3_676 ?
O6 V4 O10 V5 65.4(2) . . . . ?
O7 V2 O2 V1 -175.9(2) . . . . ?
O7 V2 O8 V3 178.2(2) . . . . ?
O8 V2 O2 V1 -71.2(2) . . . . ?
O8 V3 O3 V1 73.0(2) . . . . ?
O9 V3 O3 V1 176.9(2) . . . . ?
O9 V3 O8 V2 -171.3(2) . . . . ?
O10 V3 O3 V1 -82.4(2) 3_676 . . . ?
O10 V3 O8 V2 17.9(6) 3_676 . . . ?
O10 V4 O6 V2 -83.6(2) . . . . ?
O10 V5 O11 V2 82.1(2) . . . . ?
O10 V5 O14 V1 -75.8(2) . . . 3_676 ?
O11 V2 O2 V1 10.2(6) . . . . ?
O11 V2 O8 V3 -82.2(2) . . . . ?
O11 V5 O14 V1 -174.7(2) . . . 3_676 ?
O12 V3 O3 V1 -30.7(5) . . . . ?
O12 V3 O8 V2 84.7(2) . . . . ?
O12 V4 O6 V2 -12.3(6) 3_676 . . . ?
O12 V4 O10 V3 20.57(16) 3_676 . . 3_676 ?
O12 V4 O10 V5 -92.9(2) 3_676 . . . ?
O12 V5 O11 V2 -80.0(2) . . . . ?
O12 V5 O14 V1 84.8(2) . . . 3_676 ?
O13 V1 O2 V2 -7.1(2) 3_676 . . . ?
O13 V1 O3 V3 7.2(2) 3_676 . . . ?
O13 V2 O2 V1 7.0(2) 3_676 . . . ?
O13 V2 O8 V3 -7.7(2) 3_676 . . . ?
O13 V3 O3 V1 -7.3(2) 3_676 . . . ?
O13 V3 O8 V2 7.8(2) 3_676 . . . ?
O13 V4 O6 V2 -6.5(2) 3_676 . . . ?
O13 V4 O10 V3 97.45(17) 3_676 . . 3_676 ?
O13 V4 O10 V5 -16.06(17) 3_676 . . . ?
O13 V5 O11 V2 2.4(2) 3_676 . . . ?
O13 V5 O11 V2 4.5(9) . . . . ?
O13 V5 O14 V1 -4.8(9) 3_676 . . 3_676 ?
O13 V5 O14 V1 4.1(2) . . . 3_676 ?
O14 V1 O2 V2 -24.0(6) 3_676 . . . ?
O14 V1 O3 V3 82.2(2) 3_676 . . . ?
O14 V5 O11 V2 179.9(2) . . . . ?
N1 C1 C2 C3 -0.3(9) . . . . ?
N2 C7 C8 C9 -0.1(10) . . . . ?
C1 N1 C5 C4 2.0(9) . . . . ?
C1 C2 C3 C4 3.1(9) . . . . ?
C1 C2 C3 C9 -172.9(6) . . . . ?
C2 C3 C4 C5 -3.5(9) . . . . ?
C2 C3 C9 C8 149.4(6) . . . . ?
C2 C3 C9 C10 -29.7(9) . . . . ?
C3 C4 C5 N1 1.1(9) . . . . ?
C3 C9 C10 C11 177.1(6) . . . . ?
C4 C3 C9 C8 -26.5(9) . . . . ?
C4 C3 C9 C10 154.4(6) . . . . ?
C5 N1 C1 C2 -2.3(9) . . . . ?
C6 N1 C1 C2 173.0(5) . . . . ?
C6 N1 C5 C4 -173.3(5) . . . . ?
C7 N2 C11 C10 3.2(10) . . . . ?
C7 C8 C9 C3 -176.7(6) . . . . ?
C7 C8 C9 C10 2.5(9) . . . . ?
C8 C9 C10 C11 -2.1(10) . . . . ?
C9 C3 C4 C5 172.4(6) . . . . ?
C9 C10 C11 N2 -0.7(10) . . . . ?
C11 N2 C7 C8 -2.7(10) . . . . ?
C12 N2 C7 C8 179.4(6) . . . . ?
C12 N2 C11 C10 -178.9(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
