#------------------------------------------------------------------------------
#$Date: 2024-09-06 03:52:59 +0300 (Fri, 06 Sep 2024) $
#$Revision: 294573 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/66/7716688.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7716688
loop_
_publ_author_name
'Deng, Qing-Song'
'Zhang, Yu-Shuang'
'Wang, Ye-Xin'
'Xie, Yi'
'Fu, Peng-Xiang'
'Gao, Song'
'Liu, Zheng'
'Jiang, Shang-Da'
_publ_section_title
;
 Orthogonal magnetic orbitals in high spin Cu-VO units: structure,
 magnetism and EPR study of anisotropic heterometallic complexes.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13207
_journal_page_last               13215
_journal_paper_doi               10.1039/d4dt01346h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C36 H20 Cl4 Cu2 N4 O14 V2'
_chemical_formula_sum            'C36 H20 Cl4 Cu2 N4 O14 V2'
_chemical_formula_weight         1103.32
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-08-31
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-09-05 deposited with the CCDC.	2024-07-19 downloaded from the CCDC.
;
_cell_angle_alpha                114.387(3)
_cell_angle_beta                 94.858(2)
_cell_angle_gamma                111.117(2)
_cell_formula_units_Z            1
_cell_length_a                   9.6581(2)
_cell_length_b                   10.7180(3)
_cell_length_c                   10.7586(3)
_cell_measurement_reflns_used    17467
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      30.9920
_cell_measurement_theta_min      2.1500
_cell_volume                     909.78(5)
_computing_cell_refinement       'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.836
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -18.00  76.00   0.50    1.00    --    3.98  77.00-180.00  188
  2  ω    -69.00  16.00   0.50    1.00    --    3.98 -10.00 -26.00  170
  3  ω     -8.00  77.00   0.50    1.00    --    3.98  10.00 146.00  170
  4  ω    -68.00  14.00   0.50    1.00    --    3.98 -38.00  60.00  164
  5  ω    -77.00  17.00   0.50    1.00    --   -4.92 -77.00   0.00  188
  6  ω    -18.00  35.00   0.50    1.00    --    3.98 -99.00  30.00  106
  7  ω    -18.00  35.00   0.50    1.00    --    3.98 -99.00 120.00  106
  8  ω    -18.00  35.00   0.50    1.00    --    3.98 -99.00 -60.00  106
  9  ω    -18.00  35.00   0.50    1.00    --    3.98 -99.00-180.00  106
 10  ω    -79.00   0.00   0.50    1.00    --   -4.92 -19.00-150.00  158
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0034973000
_diffrn_orient_matrix_UB_12      0.0691732000
_diffrn_orient_matrix_UB_13      0.0048746000
_diffrn_orient_matrix_UB_21      0.0808351000
_diffrn_orient_matrix_UB_22      0.0278111000
_diffrn_orient_matrix_UB_23      0.0091593000
_diffrn_orient_matrix_UB_31      -0.0125560000
_diffrn_orient_matrix_UB_32      -0.0309388000
_diffrn_orient_matrix_UB_33      -0.0745661000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.836
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            24914
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.836
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.050
_diffrn_reflns_theta_min         2.162
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.026
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83106
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.73a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    2.014
_exptl_crystal_description       block
_exptl_crystal_F_000             548
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.666
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4859
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0262
_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)+(0.0317P)²+0.7281P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0712
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4361
_reflns_number_total             4859
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt01346h2.cif
_cod_data_source_block           10-22-f2_auto
_cod_depositor_comments
'Adding full bibliography for 7716686--7716689.cif.'
_cod_database_code               7716688
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C H O N Cu V'
_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.
;
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C6(H6), C11(H11), C15(H15), C13(H13), C2(H2)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.663
_oxdiff_exptl_absorpt_empirical_full_min 0.707
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Cu1 Cu 0.65998(2) 0.30934(2) 0.26877(2) 0.01636(7) Uani 1 1 d . . . . .
V1 V 0.32754(3) 0.26160(3) 0.22847(3) 0.01554(7) Uani 1 1 d . . . . .
Cl1 Cl 0.75952(5) 1.07544(5) 0.48508(5) 0.01997(9) Uani 1 1 d . . . . .
Cl2 Cl 0.28215(6) -0.49297(5) 0.04764(5) 0.02764(11) Uani 1 1 d . . . . .
O3 O 0.28061(14) 0.42052(14) 0.36272(13) 0.0172(2) Uani 1 1 d . . . . .
O1 O 0.54218(14) 0.42440(14) 0.30235(14) 0.0176(3) Uani 1 1 d . . . . .
O2 O 0.45540(14) 0.14910(14) 0.21165(14) 0.0171(2) Uani 1 1 d . . . . .
O5 O 0.29016(14) 0.64591(14) 0.49718(13) 0.0182(3) Uani 1 1 d . . . . .
O4 O 0.17701(15) 0.10665(15) 0.25659(15) 0.0210(3) Uani 1 1 d . . . . .
O6 O 0.02212(16) -0.12829(16) 0.20597(17) 0.0274(3) Uani 1 1 d . . . . .
O7 O 0.25775(16) 0.23021(16) 0.07367(15) 0.0248(3) Uani 1 1 d . . . . .
N1 N 0.84138(16) 0.46581(17) 0.27561(16) 0.0168(3) Uani 1 1 d . . . . .
N2 N 0.75746(16) 0.17796(17) 0.20935(16) 0.0164(3) Uani 1 1 d . . . . .
C4 C 0.59624(19) 0.57471(19) 0.35024(18) 0.0144(3) Uani 1 1 d . . . . .
C7 C 0.34861(18) 0.56743(19) 0.42194(17) 0.0141(3) Uani 1 1 d . . . . .
C8 C 0.85770(19) 0.5995(2) 0.30341(19) 0.0170(3) Uani 1 1 d . . . . .
H8 H 0.949478 0.664327 0.294572 0.020 Uiso 1 1 calc R U . . .
C6 C 0.55647(19) 0.8029(2) 0.44755(18) 0.0160(3) Uani 1 1 d . . . . .
H6 H 0.494546 0.853205 0.484565 0.019 Uiso 1 1 calc R U . . .
C3 C 0.74654(19) 0.66045(19) 0.34766(18) 0.0154(3) Uani 1 1 d . . . . .
C17 C 0.41872(19) 0.00419(19) 0.17824(17) 0.0147(3) Uani 1 1 d . . . . .
C11 C 0.6927(2) 0.0344(2) 0.16438(19) 0.0177(3) Uani 1 1 d . . . . .
H11 H 0.754858 -0.018613 0.139260 0.021 Uiso 1 1 calc R U . . .
C5 C 0.50282(19) 0.64763(19) 0.40372(18) 0.0143(3) Uani 1 1 d . . . . .
C16 C 0.2694(2) -0.0900(2) 0.17268(18) 0.0162(3) Uani 1 1 d . . . . .
C9 C 0.9562(2) 0.4098(2) 0.2267(2) 0.0196(3) Uani 1 1 d . . . . .
H9A H 1.061656 0.489103 0.284822 0.023 Uiso 1 1 calc R U . . .
H9B H 0.948650 0.386452 0.126520 0.023 Uiso 1 1 calc R U . . .
C15 C 0.2307(2) -0.2425(2) 0.13318(19) 0.0196(4) Uani 1 1 d . . . . .
H15 H 0.130610 -0.306614 0.129784 0.024 Uiso 1 1 calc R U . . .
C12 C 0.5296(2) -0.0551(2) 0.14846(18) 0.0163(3) Uani 1 1 d . . . . .
C18 C 0.1459(2) -0.0360(2) 0.21258(19) 0.0184(3) Uani 1 1 d . . . . .
C13 C 0.4849(2) -0.2096(2) 0.10724(19) 0.0190(3) Uani 1 1 d . . . . .
H13 H 0.556804 -0.251379 0.084999 0.023 Uiso 1 1 calc R U . . .
C1 C 0.6996(2) 0.88374(19) 0.43724(18) 0.0161(3) Uani 1 1 d . . . . .
C2 C 0.79513(19) 0.8156(2) 0.38933(18) 0.0163(3) Uani 1 1 d . . . . .
H2 H 0.893641 0.873519 0.384564 0.020 Uiso 1 1 calc R U . . .
C14 C 0.3368(2) -0.3013(2) 0.09891(19) 0.0202(4) Uani 1 1 d . . . . .
C10 C 0.9255(2) 0.2660(2) 0.2403(2) 0.0222(4) Uani 1 1 d . . . . .
H10A H 0.967057 0.203353 0.172849 0.027 Uiso 1 1 calc R U . . .
H10B H 0.977612 0.294354 0.337649 0.027 Uiso 1 1 calc R U . . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
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
O1 Cu1 V1 39.97(4) . . ?
O1 Cu1 O2 79.81(5) . . ?
O1 Cu1 O5 92.44(5) . 2_666 ?
O2 Cu1 V1 40.04(4) . . ?
O2 Cu1 O5 94.21(5) . 2_666 ?
O5 Cu1 V1 97.49(3) 2_666 . ?
N1 Cu1 V1 131.81(5) . . ?
N1 Cu1 O1 95.08(6) . . ?
N1 Cu1 O2 163.61(6) . . ?
N1 Cu1 O5 101.60(6) . 2_666 ?
N2 Cu1 V1 134.33(5) . . ?
N2 Cu1 O1 171.92(6) . . ?
N2 Cu1 O2 95.30(6) . . ?
N2 Cu1 O5 94.33(5) . 2_666 ?
N2 Cu1 N1 87.85(6) . . ?
O3 V1 Cu1 118.56(4) . . ?
O3 V1 O1 84.53(5) . . ?
O3 V1 O2 143.96(6) . . ?
O1 V1 Cu1 38.22(4) . . ?
O2 V1 Cu1 38.61(4) . . ?
O2 V1 O1 76.64(5) . . ?
O4 V1 Cu1 120.88(4) . . ?
O4 V1 O3 92.20(6) . . ?
O4 V1 O1 145.28(6) . . ?
O4 V1 O2 86.52(5) . . ?
O7 V1 Cu1 110.14(5) . . ?
O7 V1 O3 107.29(7) . . ?
O7 V1 O1 108.19(7) . . ?
O7 V1 O2 107.70(7) . . ?
O7 V1 O4 105.78(7) . . ?
C7 O3 V1 132.69(11) . . ?
Cu1 O1 V1 101.81(6) . . ?
C4 O1 Cu1 126.88(10) . . ?
C4 O1 V1 131.00(11) . . ?
Cu1 O2 V1 101.35(6) . . ?
C17 O2 Cu1 126.62(11) . . ?
C17 O2 V1 131.94(11) . . ?
C7 O5 Cu1 113.95(11) . 2_666 ?
C18 O4 V1 131.60(12) . . ?
C8 N1 Cu1 125.04(12) . . ?
C8 N1 C9 122.46(15) . . ?
C9 N1 Cu1 112.06(11) . . ?
C11 N2 Cu1 125.58(12) . . ?
C11 N2 C10 123.12(15) . . ?
C10 N2 Cu1 110.80(11) . . ?
O1 C4 C3 120.60(15) . . ?
O1 C4 C5 119.40(15) . . ?
C5 C4 C3 119.99(16) . . ?
O3 C7 C5 120.62(15) . . ?
O5 C7 O3 121.10(15) . . ?
O5 C7 C5 118.27(15) . . ?
N1 C8 H8 117.3 . . ?
N1 C8 C3 125.34(16) . . ?
C3 C8 H8 117.3 . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
C1 C6 C5 120.21(16) . . ?
C4 C3 C8 124.97(16) . . ?
C2 C3 C4 118.98(16) . . ?
C2 C3 C8 116.05(15) . . ?
O2 C17 C16 119.57(15) . . ?
O2 C17 C12 120.38(15) . . ?
C16 C17 C12 120.05(16) . . ?
N2 C11 H11 117.4 . . ?
N2 C11 C12 125.10(16) . . ?
C12 C11 H11 117.4 . . ?
C4 C5 C7 123.02(15) . . ?
C6 C5 C4 119.34(15) . . ?
C6 C5 C7 117.60(15) . . ?
C17 C16 C18 124.48(16) . . ?
C15 C16 C17 119.08(16) . . ?
C15 C16 C18 116.39(15) . . ?
N1 C9 H9A 109.8 . . ?
N1 C9 H9B 109.8 . . ?
N1 C9 C10 109.19(14) . . ?
H9A C9 H9B 108.3 . . ?
C10 C9 H9A 109.8 . . ?
C10 C9 H9B 109.8 . . ?
C16 C15 H15 119.6 . . ?
C14 C15 C16 120.71(17) . . ?
C14 C15 H15 119.6 . . ?
C17 C12 C11 125.32(16) . . ?
C13 C12 C17 118.87(16) . . ?
C13 C12 C11 115.73(16) . . ?
O4 C18 C16 119.49(15) . . ?
O6 C18 O4 122.35(17) . . ?
O6 C18 C16 118.13(17) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.26(17) . . ?
C14 C13 H13 119.9 . . ?
C6 C1 Cl1 119.10(14) . . ?
C2 C1 Cl1 119.52(13) . . ?
C2 C1 C6 121.37(16) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 C3 119.94(16) . . ?
C1 C2 H2 120.0 . . ?
C15 C14 Cl2 119.01(14) . . ?
C13 C14 Cl2 120.02(15) . . ?
C13 C14 C15 120.96(17) . . ?
N2 C10 C9 109.14(14) . . ?
N2 C10 H10A 109.9 . . ?
N2 C10 H10B 109.9 . . ?
C9 C10 H10A 109.9 . . ?
C9 C10 H10B 109.9 . . ?
H10A C10 H10B 108.3 . . ?
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
Cu1 V1 3.0259(4) . ?
Cu1 O1 1.9127(12) . ?
Cu1 O2 1.9258(12) . ?
Cu1 O5 2.3311(13) 2_666 ?
Cu1 N1 1.9096(15) . ?
Cu1 N2 1.8952(15) . ?
V1 O3 1.9566(13) . ?
V1 O1 1.9858(12) . ?
V1 O2 1.9855(12) . ?
V1 O4 1.9269(13) . ?
V1 O7 1.5890(14) . ?
Cl1 C1 1.7438(17) . ?
Cl2 C14 1.7426(18) . ?
O3 C7 1.293(2) . ?
O1 C4 1.340(2) . ?
O2 C17 1.337(2) . ?
O5 C7 1.240(2) . ?
O4 C18 1.304(2) . ?
O6 C18 1.220(2) . ?
N1 C8 1.282(2) . ?
N1 C9 1.478(2) . ?
N2 C11 1.278(2) . ?
N2 C10 1.476(2) . ?
C4 C3 1.421(2) . ?
C4 C5 1.407(2) . ?
C7 C5 1.504(2) . ?
C8 H8 0.9500 . ?
C8 C3 1.463(2) . ?
C6 H6 0.9500 . ?
C6 C5 1.396(2) . ?
C6 C1 1.385(2) . ?
C3 C2 1.404(2) . ?
C17 C16 1.411(2) . ?
C17 C12 1.426(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.470(2) . ?
C16 C15 1.397(2) . ?
C16 C18 1.523(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.533(3) . ?
C15 H15 0.9500 . ?
C15 C14 1.385(3) . ?
C12 C13 1.404(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.383(3) . ?
C1 C2 1.380(2) . ?
C2 H2 0.9500 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
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
Cu1 O1 C4 C3 16.2(2) . . . . ?
Cu1 O1 C4 C5 -163.62(12) . . . . ?
Cu1 O2 C17 C16 164.37(12) . . . . ?
Cu1 O2 C17 C12 -15.6(2) . . . . ?
Cu1 O5 C7 O3 83.37(17) 2_666 . . . ?
Cu1 O5 C7 C5 -95.30(15) 2_666 . . . ?
Cu1 N1 C8 C3 6.1(3) . . . . ?
Cu1 N1 C9 C10 -21.84(18) . . . . ?
Cu1 N2 C11 C12 1.1(3) . . . . ?
Cu1 N2 C10 C9 -32.74(18) . . . . ?
V1 Cu1 N2 C11 -17.18(19) . . . . ?
V1 Cu1 N2 C10 170.75(9) . . . . ?
V1 O3 C7 O5 174.56(12) . . . . ?
V1 O3 C7 C5 -6.8(2) . . . . ?
V1 O1 C4 C3 -156.04(13) . . . . ?
V1 O1 C4 C5 24.1(2) . . . . ?
V1 O2 C17 C16 -11.5(2) . . . . ?
V1 O2 C17 C12 168.53(12) . . . . ?
V1 O4 C18 O6 -159.10(14) . . . . ?
V1 O4 C18 C16 23.2(2) . . . . ?
Cl1 C1 C2 C3 -178.62(13) . . . . ?
O3 C7 C5 C4 -14.1(2) . . . . ?
O3 C7 C5 C6 168.40(15) . . . . ?
O1 C4 C3 C8 -4.0(3) . . . . ?
O1 C4 C3 C2 175.56(16) . . . . ?
O1 C4 C5 C7 5.5(2) . . . . ?
O1 C4 C5 C6 -177.09(15) . . . . ?
O2 Cu1 N2 C11 -6.95(16) . . . . ?
O2 Cu1 N2 C10 -179.02(12) . . . . ?
O2 C17 C16 C15 177.94(15) . . . . ?
O2 C17 C16 C18 -4.5(3) . . . . ?
O2 C17 C12 C11 6.4(3) . . . . ?
O2 C17 C12 C13 -177.04(15) . . . . ?
O5 Cu1 N2 C11 87.70(15) 2_666 . . . ?
O5 Cu1 N2 C10 -84.37(12) 2_666 . . . ?
O5 C7 C5 C4 164.55(16) . . . . ?
O5 C7 C5 C6 -12.9(2) . . . . ?
N1 Cu1 N2 C11 -170.83(16) . . . . ?
N1 Cu1 N2 C10 17.11(12) . . . . ?
N1 C8 C3 C4 -7.8(3) . . . . ?
N1 C8 C3 C2 172.57(17) . . . . ?
N1 C9 C10 N2 35.0(2) . . . . ?
N2 C11 C12 C17 1.2(3) . . . . ?
N2 C11 C12 C13 -175.43(17) . . . . ?
C4 C3 C2 C1 2.6(3) . . . . ?
C8 N1 C9 C10 165.37(16) . . . . ?
C8 C3 C2 C1 -177.81(16) . . . . ?
C6 C1 C2 C3 1.0(3) . . . . ?
C3 C4 C5 C7 -174.39(15) . . . . ?
C3 C4 C5 C6 3.0(2) . . . . ?
C17 C16 C15 C14 -0.4(3) . . . . ?
C17 C16 C18 O4 -0.7(3) . . . . ?
C17 C16 C18 O6 -178.50(17) . . . . ?
C17 C12 C13 C14 -1.4(3) . . . . ?
C11 N2 C10 C9 154.96(17) . . . . ?
C11 C12 C13 C14 175.49(16) . . . . ?
C5 C4 C3 C8 175.81(16) . . . . ?
C5 C4 C3 C2 -4.6(2) . . . . ?
C5 C6 C1 Cl1 177.03(13) . . . . ?
C5 C6 C1 C2 -2.6(3) . . . . ?
C16 C17 C12 C11 -173.55(16) . . . . ?
C16 C17 C12 C13 3.0(2) . . . . ?
C16 C15 C14 Cl2 -179.02(14) . . . . ?
C16 C15 C14 C13 2.1(3) . . . . ?
C9 N1 C8 C3 177.89(16) . . . . ?
C15 C16 C18 O4 176.92(16) . . . . ?
C15 C16 C18 O6 -0.9(3) . . . . ?
C12 C17 C16 C15 -2.1(2) . . . . ?
C12 C17 C16 C18 175.44(16) . . . . ?
C12 C13 C14 Cl2 179.98(14) . . . . ?
C12 C13 C14 C15 -1.1(3) . . . . ?
C18 C16 C15 C14 -178.17(16) . . . . ?
C1 C6 C5 C4 0.6(3) . . . . ?
C1 C6 C5 C7 178.13(15) . . . . ?
C10 N2 C11 C12 172.21(17) . . . . ?
