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#$Date: 2023-06-12 10:27:26 +0300 (Mon, 12 Jun 2023) $
#$Revision: 284445 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/73/8107342.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_8107342
loop_
_publ_author_name
'Cai, Jie-Qiong'
_publ_section_title
;
 Synthesis and crystal structure of
 {(N′,N″-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))-bis(methaneylylidene))bis(2-hydroxybenzohydrazonato)-κ6
 N 2 O 4}copper(II), C30H24CuN4O6
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              23
_journal_page_last               25
_journal_paper_doi               10.1515/ncrs-2022-0407
_journal_volume                  238
_journal_year                    2023
_chemical_formula_moiety         'C30 H24 Cu N4 O6'
_chemical_formula_sum            'C30 H24 Cu N4 O6'
_chemical_formula_weight         600.07
_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
_cell_angle_alpha                100.3080(10)
_cell_angle_beta                 113.0750(10)
_cell_angle_gamma                99.9890(10)
_cell_formula_units_Z            2
_cell_length_a                   10.8014(2)
_cell_length_b                   10.8211(2)
_cell_length_c                   13.4530(3)
_cell_measurement_reflns_used    8054
_cell_measurement_temperature    297
_cell_measurement_theta_max      27.777
_cell_measurement_theta_min      2.793
_cell_volume                     1370.76(5)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      297.0
_diffrn_measured_fraction_theta_full 0.997
_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_reflns_av_R_equivalents  0.0861
_diffrn_reflns_av_unetI/netI     0.0631
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            29057
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.471
_diffrn_reflns_theta_min         2.793
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.848
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'clear dark brown'
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_description       block
_exptl_crystal_F_000             618
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.330
_refine_diff_density_min         -0.316
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         6884
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0365
_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)+(0.0431P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
_refine_ls_wR_factor_ref         0.0937
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4706
_reflns_number_total             6884
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2022-0407_suppl.cif
_cod_data_source_block           mo
_cod_database_code               8107342
_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.
;
_shelx_estimated_absorpt_t_max   0.935
_shelx_estimated_absorpt_t_min   0.876
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C27(H27A,H27B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2A), C3(H3), C5(H5A), C7(H7), C11(H11), C13(H13), C14(H14), C15(H15),
 C16(H16), C19(H19), C21(H21), C23(H23), C24(H24), C25(H25), C26(H26), C28(H28),
  C29(H29), C30(H30)
2.c Idealised tetrahedral OH refined as rotating group:
 O2(H2), O5(H5)
;
_olex2_submission_special_instructions 'No special instructions were received'
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 0.65860(3) 0.41570(2) 0.26394(2) 0.03707(8) Uani 1 1 d . . . . .
O1 O 0.68369(16) 0.34256(15) 0.13155(12) 0.0477(4) Uani 1 1 d . . . . .
O2 O 1.05565(19) 0.2293(2) 0.20330(14) 0.0674(5) Uani 1 1 d . . . . .
H2 H 1.021606 0.248766 0.246746 0.101 Uiso 1 1 calc GR . . . .
O3 O 0.59432(17) 0.30767(18) 0.39026(14) 0.0580(5) Uani 1 1 d . . . . .
O4 O 0.72534(17) 0.57703(14) 0.38453(12) 0.0493(4) Uani 1 1 d . . . . .
O5 O 0.5524(2) 0.87919(18) 0.28810(16) 0.0914(8) Uani 1 1 d . . . . .
H5 H 0.527284 0.802461 0.252121 0.137 Uiso 1 1 calc GR . . . .
O6 O 0.43497(18) 0.25188(15) 0.18005(14) 0.0633(5) Uani 1 1 d . . . . .
N1 N 0.81159(18) 0.33764(16) 0.33523(14) 0.0365(4) Uani 1 1 d . . . . .
N2 N 0.86677(18) 0.29165(17) 0.26258(14) 0.0398(4) Uani 1 1 d . . . . .
N3 N 0.55211(19) 0.63522(16) 0.25077(14) 0.0392(4) Uani 1 1 d . . . . .
N4 N 0.51843(17) 0.50578(15) 0.19031(14) 0.0348(4) Uani 1 1 d . . . . .
C1 C 0.8360(2) 0.25051(19) 0.07237(17) 0.0366(4) Uani 1 1 d . . . . .
C2 C 0.3123(3) 0.1009(2) -0.0054(2) 0.0607(7) Uani 1 1 d . . . . .
H2A H 0.321643 0.029672 0.023948 0.073 Uiso 1 1 calc R . . . .
C3 C 0.7497(3) 0.4184(3) 0.6969(2) 0.0698(8) Uani 1 1 d . . . . .
H3 H 0.723504 0.437752 0.754793 0.084 Uiso 1 1 calc R . . . .
C4 C 0.7922(2) 0.29865(19) 0.16011(17) 0.0377(5) Uani 1 1 d . . . . .
C5 C 0.8508(3) 0.9410(3) 0.6100(2) 0.0672(8) Uani 1 1 d . . . . .
H5A H 0.917705 0.956372 0.683351 0.081 Uiso 1 1 calc R . . . .
C6 C 0.3570(2) 0.3347(2) 0.02261(18) 0.0403(5) Uani 1 1 d . . . . .
C7 C 0.6977(4) 1.0166(3) 0.4665(3) 0.0893(11) Uani 1 1 d . . . . .
H7 H 0.661872 1.084039 0.443338 0.107 Uiso 1 1 calc R . . . .
C8 C 0.7045(2) 0.7931(2) 0.42607(17) 0.0396(5) Uani 1 1 d . . . . .
C9 C 0.4543(3) 0.2407(3) 0.3567(2) 0.0605(7) Uani 1 1 d . . . . .
H9A H 0.400290 0.301956 0.363281 0.073 Uiso 1 1 calc R . . . .
H9B H 0.449002 0.183066 0.403299 0.073 Uiso 1 1 calc R . . . .
C10 C 0.8280(2) 0.3671(2) 0.52385(18) 0.0414(5) Uani 1 1 d . . . . .
C11 C 0.2253(3) 0.1866(3) -0.1640(2) 0.0667(8) Uani 1 1 d . . . . .
H11 H 0.176892 0.173090 -0.241125 0.080 Uiso 1 1 calc R . . . .
C12 C 0.6589(2) 0.6600(2) 0.35005(17) 0.0372(5) Uani 1 1 d . . . . .
C13 C 0.2425(3) 0.0819(3) -0.1195(2) 0.0677(7) Uani 1 1 d . . . . .
H13 H 0.206629 -0.002326 -0.167104 0.081 Uiso 1 1 calc R . . . .
C14 C 0.8744(2) 0.3346(2) 0.43724(18) 0.0430(5) Uani 1 1 d . . . . .
H14 H 0.956998 0.309322 0.457604 0.052 Uiso 1 1 calc R . . . .
C15 C 0.2809(3) 0.3127(2) -0.09260(19) 0.0531(6) Uani 1 1 d . . . . .
H15 H 0.266908 0.383108 -0.122312 0.064 Uiso 1 1 calc R . . . .
C16 C 0.4139(2) 0.4678(2) 0.09376(18) 0.0408(5) Uani 1 1 d . . . . .
H16 H 0.370854 0.530135 0.066988 0.049 Uiso 1 1 calc R . . . .
C17 C 0.6501(3) 0.8941(2) 0.3914(2) 0.0587(7) Uani 1 1 d . . . . .
C18 C 0.6874(3) 0.3532(2) 0.50095(19) 0.0462(5) Uani 1 1 d . . . . .
C19 C 0.8878(3) 0.4300(3) 0.7224(2) 0.0667(8) Uani 1 1 d . . . . .
H19 H 0.954814 0.455697 0.796811 0.080 Uiso 1 1 calc R . . . .
C20 C 0.3686(2) 0.2262(2) 0.0657(2) 0.0465(5) Uani 1 1 d . . . . .
C21 C 0.6494(3) 0.3787(3) 0.5878(2) 0.0642(7) Uani 1 1 d . . . . .
H21 H 0.555860 0.369058 0.572232 0.077 Uiso 1 1 calc R . . . .
C22 C 0.9644(2) 0.2205(2) 0.09846(19) 0.0454(5) Uani 1 1 d . . . . .
C23 C 0.9996(3) 0.1779(3) 0.0117(2) 0.0639(7) Uani 1 1 d . . . . .
H23 H 1.084742 0.158351 0.028294 0.077 Uiso 1 1 calc R . . . .
C24 C 0.7477(3) 0.2344(2) -0.03951(18) 0.0471(5) Uani 1 1 d . . . . .
H24 H 0.662119 0.253432 -0.057555 0.056 Uiso 1 1 calc R . . . .
C25 C 0.9112(3) 0.1645(3) -0.0971(2) 0.0672(8) Uani 1 1 d . . . . .
H25 H 0.937541 0.137195 -0.153677 0.081 Uiso 1 1 calc R . . . .
C26 C 0.8044(3) 0.8187(2) 0.53538(19) 0.0506(6) Uani 1 1 d . . . . .
H26 H 0.841286 0.752067 0.559305 0.061 Uiso 1 1 calc R . . . .
C27 C 0.3996(3) 0.1646(3) 0.2382(2) 0.0639(7) Uani 1 1 d . . . . .
H27A H 0.441628 0.092793 0.233263 0.077 Uiso 1 1 calc R . . . .
H27B H 0.299100 0.129373 0.205979 0.077 Uiso 1 1 calc R . . . .
C28 C 0.9259(3) 0.4031(2) 0.6358(2) 0.0547(6) Uani 1 1 d . . . . .
H28 H 1.019292 0.409026 0.652724 0.066 Uiso 1 1 calc R . . . .
C29 C 0.7970(4) 1.0396(3) 0.5744(2) 0.0842(10) Uani 1 1 d . . . . .
H29 H 0.828119 1.122400 0.623849 0.101 Uiso 1 1 calc R . . . .
C30 C 0.7837(3) 0.1909(3) -0.1245(2) 0.0575(7) Uani 1 1 d . . . . .
H30 H 0.722773 0.179531 -0.199059 0.069 Uiso 1 1 calc R . . . .
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'
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'
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
O1 Cu1 O4 140.25(7) . .
O1 Cu1 O6 87.36(7) . .
O1 Cu1 N1 81.16(6) . .
O1 Cu1 N4 96.73(6) . .
O4 Cu1 O6 128.94(7) . .
O4 Cu1 N1 97.41(7) . .
O4 Cu1 N4 80.94(6) . .
N1 Cu1 O6 110.11(6) . .
N1 Cu1 N4 174.52(7) . .
N4 Cu1 O6 74.74(6) . .
C4 O1 Cu1 110.32(13) . .
C22 O2 H2 109.5 . .
C18 O3 C9 121.39(19) . .
C12 O4 Cu1 110.36(14) . .
C17 O5 H5 109.5 . .
C20 O6 Cu1 113.12(13) . .
C20 O6 C27 122.11(19) . .
C27 O6 Cu1 121.93(14) . .
N2 N1 Cu1 112.31(11) . .
C14 N1 Cu1 130.58(15) . .
C14 N1 N2 116.72(17) . .
C4 N2 N1 110.87(16) . .
C12 N3 N4 110.78(16) . .
N3 N4 Cu1 112.33(12) . .
C16 N4 Cu1 130.06(14) . .
C16 N4 N3 117.18(16) . .
C22 C1 C4 122.11(18) . .
C24 C1 C4 119.27(19) . .
C24 C1 C22 118.6(2) . .
C13 C2 H2A 120.0 . .
C13 C2 C20 119.9(2) . .
C20 C2 H2A 120.0 . .
C19 C3 H3 119.3 . .
C19 C3 C21 121.3(3) . .
C21 C3 H3 119.3 . .
O1 C4 N2 124.4(2) . .
O1 C4 C1 118.22(18) . .
N2 C4 C1 117.34(18) . .
C26 C5 H5A 120.4 . .
C29 C5 H5A 120.4 . .
C29 C5 C26 119.2(2) . .
C15 C6 C16 118.99(19) . .
C15 C6 C20 118.2(2) . .
C20 C6 C16 122.7(2) . .
C17 C7 H7 119.6 . .
C29 C7 H7 119.6 . .
C29 C7 C17 120.8(2) . .
C17 C8 C12 122.4(2) . .
C26 C8 C12 119.06(18) . .
C26 C8 C17 118.6(2) . .
O3 C9 H9A 110.4 . .
O3 C9 H9B 110.4 . .
O3 C9 C27 106.6(2) . .
H9A C9 H9B 108.6 . .
C27 C9 H9A 110.4 . .
C27 C9 H9B 110.4 . .
C18 C10 C14 123.2(2) . .
C28 C10 C14 118.6(2) . .
C28 C10 C18 117.9(2) . .
C13 C11 H11 120.2 . .
C13 C11 C15 119.5(2) . .
C15 C11 H11 120.2 . .
O4 C12 N3 124.5(2) . .
O4 C12 C8 118.28(18) . .
N3 C12 C8 117.23(17) . .
C2 C13 C11 120.6(2) . .
C2 C13 H13 119.7 . .
C11 C13 H13 119.7 . .
N1 C14 C10 125.6(2) . .
N1 C14 H14 117.2 . .
C10 C14 H14 117.2 . .
C6 C15 C11 120.9(2) . .
C6 C15 H15 119.6 . .
C11 C15 H15 119.6 . .
N4 C16 C6 124.94(18) . .
N4 C16 H16 117.5 . .
C6 C16 H16 117.5 . .
O5 C17 C7 117.2(2) . .
O5 C17 C8 123.2(2) . .
C7 C17 C8 119.5(2) . .
O3 C18 C10 115.7(2) . .
O3 C18 C21 123.9(2) . .
C21 C18 C10 120.3(2) . .
C3 C19 H19 120.6 . .
C3 C19 C28 118.9(3) . .
C28 C19 H19 120.6 . .
O6 C20 C2 123.0(2) . .
O6 C20 C6 116.3(2) . .
C2 C20 C6 120.7(2) . .
C3 C21 C18 119.9(3) . .
C3 C21 H21 120.0 . .
C18 C21 H21 120.0 . .
O2 C22 C1 123.5(2) . .
O2 C22 C23 117.7(2) . .
C23 C22 C1 118.9(2) . .
C22 C23 H23 119.5 . .
C25 C23 C22 121.0(2) . .
C25 C23 H23 119.5 . .
C1 C24 H24 119.1 . .
C30 C24 C1 121.7(2) . .
C30 C24 H24 119.1 . .
C23 C25 H25 119.6 . .
C23 C25 C30 120.9(2) . .
C30 C25 H25 119.6 . .
C5 C26 C8 121.6(2) . .
C5 C26 H26 119.2 . .
C8 C26 H26 119.2 . .
O6 C27 C9 106.8(2) . .
O6 C27 H27A 110.4 . .
O6 C27 H27B 110.4 . .
C9 C27 H27A 110.4 . .
C9 C27 H27B 110.4 . .
H27A C27 H27B 108.6 . .
C10 C28 H28 119.2 . .
C19 C28 C10 121.6(3) . .
C19 C28 H28 119.2 . .
C5 C29 H29 119.8 . .
C7 C29 C5 120.3(3) . .
C7 C29 H29 119.8 . .
C24 C30 H30 120.6 . .
C25 C30 C24 118.8(2) . .
C25 C30 H30 120.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.9545(15) .
Cu1 O4 1.9577(15) .
Cu1 O6 2.4316(17) .
Cu1 N1 1.9738(16) .
Cu1 N4 1.9763(16) .
O1 C4 1.285(2) .
O2 H2 0.8200 .
O2 C22 1.341(3) .
O3 C9 1.409(3) .
O3 C18 1.365(3) .
O4 C12 1.284(2) .
O5 H5 0.8200 .
O5 C17 1.335(3) .
O6 C20 1.368(3) .
O6 C27 1.422(3) .
N1 N2 1.394(2) .
N1 C14 1.280(2) .
N2 C4 1.320(2) .
N3 N4 1.393(2) .
N3 C12 1.320(2) .
N4 C16 1.277(2) .
C1 C4 1.481(3) .
C1 C22 1.403(3) .
C1 C24 1.389(3) .
C2 H2A 0.9300 .
C2 C13 1.376(3) .
C2 C20 1.384(3) .
C3 H3 0.9300 .
C3 C19 1.370(4) .
C3 C21 1.371(4) .
C5 H5A 0.9300 .
C5 C26 1.382(3) .
C5 C29 1.372(4) .
C6 C15 1.392(3) .
C6 C16 1.452(3) .
C6 C20 1.403(3) .
C7 H7 0.9300 .
C7 C17 1.385(3) .
C7 C29 1.371(4) .
C8 C12 1.482(3) .
C8 C17 1.395(3) .
C8 C26 1.382(3) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 C27 1.480(3) .
C10 C14 1.451(3) .
C10 C18 1.400(3) .
C10 C28 1.392(3) .
C11 H11 0.9300 .
C11 C13 1.381(4) .
C11 C15 1.392(3) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 H16 0.9300 .
C18 C21 1.382(3) .
C19 H19 0.9300 .
C19 C28 1.381(3) .
C21 H21 0.9300 .
C22 C23 1.390(3) .
C23 H23 0.9300 .
C23 C25 1.363(3) .
C24 H24 0.9300 .
C24 C30 1.378(3) .
C25 H25 0.9300 .
C25 C30 1.375(3) .
C26 H26 0.9300 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 H30 0.9300 .
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
Cu1 O1 C4 N2 6.6(3) . . . .
Cu1 O1 C4 C1 -174.37(14) . . . .
Cu1 O4 C12 N3 5.9(3) . . . .
Cu1 O4 C12 C8 -174.03(14) . . . .
Cu1 O6 C20 C2 131.6(2) . . . .
Cu1 O6 C20 C6 -49.8(2) . . . .
Cu1 O6 C27 C9 39.3(3) . . . .
Cu1 N1 N2 C4 -7.1(2) . . . .
Cu1 N1 C14 C10 13.4(3) . . . .
Cu1 N4 C16 C6 13.1(3) . . . .
O2 C22 C23 C25 179.0(3) . . . .
O3 C9 C27 O6 -49.3(3) . . . .
O3 C18 C21 C3 176.9(2) . . . .
N1 N2 C4 O1 0.3(3) . . . .
N1 N2 C4 C1 -178.71(17) . . . .
N2 N1 C14 C10 -174.5(2) . . . .
N3 N4 C16 C6 -175.13(18) . . . .
N4 N3 C12 O4 2.0(3) . . . .
N4 N3 C12 C8 -178.05(16) . . . .
C1 C22 C23 C25 -0.4(4) . . . .
C1 C24 C30 C25 -0.9(4) . . . .
C3 C19 C28 C10 1.4(4) . . . .
C4 C1 C22 O2 1.8(4) . . . .
C4 C1 C22 C23 -178.9(2) . . . .
C4 C1 C24 C30 179.5(2) . . . .
C9 O3 C18 C10 154.2(2) . . . .
C9 O3 C18 C21 -22.6(3) . . . .
C10 C18 C21 C3 0.2(4) . . . .
C12 N3 N4 Cu1 -8.88(19) . . . .
C12 N3 N4 C16 177.95(18) . . . .
C12 C8 C17 O5 0.7(4) . . . .
C12 C8 C17 C7 -179.6(3) . . . .
C12 C8 C26 C5 180.0(2) . . . .
C13 C2 C20 O6 177.7(2) . . . .
C13 C2 C20 C6 -0.8(4) . . . .
C13 C11 C15 C6 1.9(4) . . . .
C14 N1 N2 C4 179.35(19) . . . .
C14 C10 C18 O3 -0.7(3) . . . .
C14 C10 C18 C21 176.2(2) . . . .
C14 C10 C28 C19 -177.3(2) . . . .
C15 C6 C16 N4 -156.4(2) . . . .
C15 C6 C20 O6 -175.1(2) . . . .
C15 C6 C20 C2 3.5(3) . . . .
C15 C11 C13 C2 0.9(4) . . . .
C16 C6 C15 C11 179.6(2) . . . .
C16 C6 C20 O6 1.2(3) . . . .
C16 C6 C20 C2 179.8(2) . . . .
C17 C7 C29 C5 -0.1(6) . . . .
C17 C8 C12 O4 172.2(2) . . . .
C17 C8 C12 N3 -7.8(3) . . . .
C17 C8 C26 C5 0.0(4) . . . .
C18 O3 C9 C27 -159.2(2) . . . .
C18 C10 C14 N1 27.8(3) . . . .
C18 C10 C28 C19 -2.8(3) . . . .
C19 C3 C21 C18 -1.8(4) . . . .
C20 O6 C27 C9 -161.1(2) . . . .
C20 C2 C13 C11 -1.4(4) . . . .
C20 C6 C15 C11 -4.0(4) . . . .
C20 C6 C16 N4 27.3(3) . . . .
C21 C3 C19 C28 1.0(4) . . . .
C22 C1 C4 O1 169.6(2) . . . .
C22 C1 C4 N2 -11.3(3) . . . .
C22 C1 C24 C30 -0.5(3) . . . .
C22 C23 C25 C30 -1.0(5) . . . .
C23 C25 C30 C24 1.6(4) . . . .
C24 C1 C4 O1 -10.4(3) . . . .
C24 C1 C4 N2 168.72(19) . . . .
C24 C1 C22 O2 -178.2(2) . . . .
C24 C1 C22 C23 1.1(3) . . . .
C26 C5 C29 C7 0.5(5) . . . .
C26 C8 C12 O4 -7.8(3) . . . .
C26 C8 C12 N3 172.3(2) . . . .
C26 C8 C17 O5 -179.4(3) . . . .
C26 C8 C17 C7 0.4(4) . . . .
C27 O6 C20 C2 -29.6(4) . . . .
C27 O6 C20 C6 148.9(2) . . . .
C28 C10 C14 N1 -158.0(2) . . . .
C28 C10 C18 O3 -174.86(19) . . . .
C28 C10 C18 C21 2.0(3) . . . .
C29 C5 C26 C8 -0.4(4) . . . .
C29 C7 C17 O5 179.4(3) . . . .
C29 C7 C17 C8 -0.3(5) . . . .
