#------------------------------------------------------------------------------
#$Date: 2026-04-05 13:33:47 +0200 (Sun 05 de Apr de 2026) $
#$Revision: 305278 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/64/1576433.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_1576433
loop_
_publ_author_name
'Choudhary, Rachana'
'Dogra, Kritika'
Monika,
'Dhar, Basab Bijayi'
_publ_section_title
;
 Photo-mediated aromatic C--H activation by Cu(ii)-amido-quinoline
 complexes
;
_journal_issue                   5
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              1610
_journal_page_last               1621
_journal_paper_doi               10.1039/D5CY01283J
_journal_volume                  16
_journal_year                    2026
_chemical_formula_moiety         'C25 H22 Cu N4 O2, H2 O'
_chemical_formula_sum            'C25 H24 Cu N4 O3'
_chemical_formula_weight         492.02
_chemical_name_systematic        CuL3
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_block_doi                 10.5517/ccdc.csd.cc2p4xlc
_audit_creation_date             2025-07-31
_audit_creation_method
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_audit_update_record
;
2025-07-31 deposited with the CCDC.	2026-01-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.26(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.507(11)
_cell_length_b                   13.173(15)
_cell_length_c                   12.659(16)
_cell_measurement_reflns_used    4575
_cell_measurement_temperature    295.00
_cell_measurement_theta_max      25.80
_cell_measurement_theta_min      2.13
_cell_volume                     2223(4)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      295.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_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  0.0685
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            32886
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.462
_diffrn_reflns_theta_min         2.173
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.018
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6456
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1200 before and 0.0744 after correction.
The Ratio of minimum to maximum transmission is 0.8661.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'metallic dark green'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_description       needle
_exptl_crystal_F_000             1020
_exptl_crystal_preparation       'SOLVENT DIFFUSION'
_exptl_crystal_recrystallization_method EVAPORATION
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.5
_refine_diff_density_max         0.746
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         4554
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0451
_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)+(0.0353P)²+3.2061P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0963
_refine_ls_wR_factor_ref         0.1214
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3288
_reflns_number_total             4554
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5cy01283j2.cif
_cod_data_source_block           q_a_a
_cod_depositor_comments
'Adding full bibliography for 1576432--1576433.cif.'
_cod_database_code               1576433
_shelx_shelxl_version_number     2019/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.630
_shelx_estimated_absorpt_t_min   0.630
_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, All O(H,H) groups
2.a Free rotating group:
 O(HA,HB)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C10(H10), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C1C(H1C),
 C1F(H1F), C21(H21)
2.c Idealised Me refined as rotating group:
 C1A(H1AA,H1AB,H1AC), C1B(H1BA,H1BB,H1BC), C1D(H1DA,H1DB,H1DC), C1E(H1EA,H1EB,
 H1EC)
;
_olex2_exptl_crystal_mounting_method SINGLE
_olex2_submission_original_sample_id CuL3
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.21494(3) 0.56980(3) 0.49508(3) 0.03453(14) Uani 1 1 d . . . . .
O2 O 0.3760(2) 0.31774(18) 0.58715(19) 0.0486(7) Uani 1 1 d . . . . .
N1 N 0.2859(2) 0.6720(2) 0.5966(2) 0.0371(7) Uani 1 1 d . . . . .
N2 N 0.3130(2) 0.47876(19) 0.5682(2) 0.0327(6) Uani 1 1 d . . . . .
O1 O 0.1919(2) 0.3524(2) 0.2667(2) 0.0634(8) Uani 1 1 d . . . . .
C20 C 0.3504(2) 0.5144(2) 0.6715(3) 0.0323(7) Uani 1 1 d . . . . .
N4 N 0.0713(2) 0.6141(2) 0.4654(2) 0.0369(7) Uani 1 1 d . . . . .
N3 N 0.1835(2) 0.4969(2) 0.3632(2) 0.0364(6) Uani 1 1 d . . . . .
C5 C 0.0314(2) 0.5886(2) 0.3610(3) 0.0373(8) Uani 1 1 d . . . . .
C6 C 0.4453(3) 0.5139(3) 0.8507(3) 0.0543(10) Uani 1 1 d . . . . .
H6 H 0.478221 0.476786 0.908335 0.065 Uiso 1 1 calc R U . . .
C7 C 0.0906(3) 0.5275(3) 0.3036(3) 0.0381(8) Uani 1 1 d . . . . .
C8 C 0.3886(3) 0.6729(3) 0.7736(3) 0.0469(9) Uani 1 1 d . . . . .
C9 C 0.3407(2) 0.6213(2) 0.6816(3) 0.0346(7) Uani 1 1 d . . . . .
C10 C 0.4012(3) 0.4621(3) 0.7580(3) 0.0415(8) Uani 1 1 d . . . . .
H10 H 0.406293 0.391782 0.754921 0.050 Uiso 1 1 calc R U . . .
C C 0.2269(3) 0.4099(3) 0.3403(3) 0.0361(8) Uani 1 1 d . . . . .
C11 C 0.3295(2) 0.3807(2) 0.4073(3) 0.0326(7) Uani 1 1 d . . . . .
O O 0.2780(4) 0.3962(3) 0.0727(4) 0.1052(13) Uani 1 1 d G . . . .
HA H 0.254744 0.390673 0.131011 0.158 Uiso 1 1 d G U . . .
HB H 0.316737 0.345417 0.072414 0.158 Uiso 1 1 d G U . . .
C12 C 0.3385(2) 0.3883(2) 0.5311(3) 0.0322(7) Uani 1 1 d . . . . .
C13 C -0.0662(3) 0.6196(3) 0.3148(3) 0.0451(9) Uani 1 1 d . . . . .
C14 C -0.1217(3) 0.6747(3) 0.3794(4) 0.0521(10) Uani 1 1 d . . . . .
H14 H -0.185623 0.697611 0.351226 0.062 Uiso 1 1 calc R U . . .
C3 C 0.2816(3) 0.7727(3) 0.5966(3) 0.0465(9) Uani 1 1 d . . . . .
C16 C 0.0538(3) 0.5053(3) 0.1976(3) 0.0507(10) Uani 1 1 d . . . . .
H16 H 0.092723 0.468098 0.157165 0.061 Uiso 1 1 calc R U . . .
C17 C -0.0423(3) 0.5388(3) 0.1506(3) 0.0601(12) Uani 1 1 d . . . . .
H17 H -0.065612 0.523723 0.079136 0.072 Uiso 1 1 calc R U . . .
C18 C 0.4414(3) 0.6162(3) 0.8586(3) 0.0587(11) Uani 1 1 d . . . . .
H18 H 0.473491 0.648781 0.919833 0.070 Uiso 1 1 calc R U . . .
C19 C -0.1014(3) 0.5923(3) 0.2070(4) 0.0579(11) Uani 1 1 d . . . . .
H19 H -0.165567 0.611273 0.174920 0.070 Uiso 1 1 calc R U . . .
C1A C 0.4071(3) 0.4546(3) 0.3743(3) 0.0471(9) Uani 1 1 d . . . . .
H1AA H 0.405756 0.450599 0.298393 0.071 Uiso 1 1 calc R U . . .
H1AB H 0.472819 0.436757 0.410612 0.071 Uiso 1 1 calc R U . . .
H1AC H 0.391352 0.522523 0.393405 0.071 Uiso 1 1 calc R U . . .
C1B C 0.0559(3) 0.6829(3) 0.6422(3) 0.0510(10) Uani 1 1 d . . . . .
H1BA H 0.107049 0.633976 0.667071 0.076 Uiso 1 1 calc R U . . .
H1BB H 0.002566 0.677329 0.683679 0.076 Uiso 1 1 calc R U . . .
H1BC H 0.083965 0.749986 0.650001 0.076 Uiso 1 1 calc R U . . .
C1C C -0.0827(3) 0.6952(3) 0.4834(4) 0.0521(10) Uani 1 1 d . . . . .
H1C H -0.120904 0.730256 0.526264 0.062 Uiso 1 1 calc R U . . .
C1D C 0.2241(3) 0.8250(3) 0.5013(4) 0.0593(11) Uani 1 1 d . . . . .
H1DA H 0.221592 0.782206 0.439479 0.089 Uiso 1 1 calc R U . . .
H1DB H 0.256561 0.887759 0.489248 0.089 Uiso 1 1 calc R U . . .
H1DC H 0.157103 0.838469 0.513815 0.089 Uiso 1 1 calc R U . . .
C1E C 0.3571(3) 0.2740(3) 0.3762(3) 0.0517(10) Uani 1 1 d . . . . .
H1EA H 0.310170 0.226232 0.397113 0.078 Uiso 1 1 calc R U . . .
H1EB H 0.423470 0.257747 0.411630 0.078 Uiso 1 1 calc R U . . .
H1EC H 0.355011 0.270647 0.300081 0.078 Uiso 1 1 calc R U . . .
C1F C 0.3823(4) 0.7796(3) 0.7717(4) 0.0662(13) Uani 1 1 d . . . . .
H1F H 0.413616 0.817015 0.829940 0.079 Uiso 1 1 calc R U . . .
C15 C 0.0154(3) 0.6633(3) 0.5262(3) 0.0418(8) Uani 1 1 d . . . . .
C21 C 0.3309(3) 0.8280(3) 0.6855(4) 0.0633(12) Uani 1 1 d . . . . .
H21 H 0.328030 0.898557 0.684863 0.076 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'
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
_geom_angle_publ_flag
N1 Cu1 N4 105.92(12) . . ?
N2 Cu1 N1 83.56(13) . . ?
N2 Cu1 N4 148.03(12) . . ?
N2 Cu1 N3 98.46(13) . . ?
N3 Cu1 N1 156.39(13) . . ?
N3 Cu1 N4 84.84(12) . . ?
C9 N1 Cu1 108.5(2) . . ?
C3 N1 Cu1 131.1(3) . . ?
C3 N1 C9 120.2(3) . . ?
C20 N2 Cu1 111.0(2) . . ?
C12 N2 Cu1 125.6(2) . . ?
C12 N2 C20 123.2(3) . . ?
N2 C20 C9 113.0(3) . . ?
C10 C20 N2 129.1(3) . . ?
C10 C20 C9 117.7(3) . . ?
C5 N4 Cu1 108.9(2) . . ?
C15 N4 Cu1 131.0(3) . . ?
C15 N4 C5 120.0(3) . . ?
C7 N3 Cu1 112.1(2) . . ?
C N3 Cu1 125.1(2) . . ?
C N3 C7 120.6(3) . . ?
N4 C5 C7 117.6(3) . . ?
N4 C5 C13 121.2(3) . . ?
C13 C5 C7 121.2(3) . . ?
C10 C6 H6 119.0 . . ?
C18 C6 H6 119.0 . . ?
C18 C6 C10 122.0(4) . . ?
N3 C7 C5 114.4(3) . . ?
C16 C7 N3 127.3(3) . . ?
C16 C7 C5 118.2(3) . . ?
C18 C8 C9 118.9(3) . . ?
C18 C8 C1F 124.4(4) . . ?
C1F C8 C9 116.7(4) . . ?
N1 C9 C20 117.1(3) . . ?
N1 C9 C8 121.9(3) . . ?
C8 C9 C20 121.0(3) . . ?
C20 C10 C6 120.7(4) . . ?
C20 C10 H10 119.6 . . ?
C6 C10 H10 119.6 . . ?
O1 C N3 124.1(3) . . ?
O1 C C11 117.4(3) . . ?
N3 C C11 118.5(3) . . ?
C C11 C12 116.9(3) . . ?
C1A C11 C 106.4(3) . . ?
C1A C11 C12 106.7(3) . . ?
C1E C11 C 108.7(3) . . ?
C1E C11 C12 109.8(3) . . ?
C1E C11 C1A 108.0(3) . . ?
HA O HB 104.5 . . ?
O2 C12 N2 124.9(3) . . ?
O2 C12 C11 119.4(3) . . ?
N2 C12 C11 115.3(3) . . ?
C5 C13 C19 118.1(4) . . ?
C14 C13 C5 117.4(4) . . ?
C14 C13 C19 124.5(4) . . ?
C13 C14 H14 119.8 . . ?
C1C C14 C13 120.5(4) . . ?
C1C C14 H14 119.8 . . ?
N1 C3 C1D 118.5(3) . . ?
N1 C3 C21 119.9(4) . . ?
C21 C3 C1D 121.5(3) . . ?
C7 C16 H16 119.8 . . ?
C7 C16 C17 120.4(4) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 119.2 . . ?
C19 C17 C16 121.5(4) . . ?
C19 C17 H17 119.2 . . ?
C6 C18 C8 119.6(3) . . ?
C6 C18 H18 120.2 . . ?
C8 C18 H18 120.2 . . ?
C13 C19 H19 119.8 . . ?
C17 C19 C13 120.3(4) . . ?
C17 C19 H19 119.8 . . ?
C11 C1A H1AA 109.5 . . ?
C11 C1A H1AB 109.5 . . ?
C11 C1A H1AC 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
C15 C1B H1BA 109.5 . . ?
C15 C1B H1BB 109.5 . . ?
C15 C1B H1BC 109.5 . . ?
C14 C1C H1C 119.8 . . ?
C14 C1C C15 120.3(4) . . ?
C15 C1C H1C 119.8 . . ?
C3 C1D H1DA 109.5 . . ?
C3 C1D H1DB 109.5 . . ?
C3 C1D H1DC 109.5 . . ?
H1DA C1D H1DB 109.5 . . ?
H1DA C1D H1DC 109.5 . . ?
H1DB C1D H1DC 109.5 . . ?
C11 C1E H1EA 109.5 . . ?
C11 C1E H1EB 109.5 . . ?
C11 C1E H1EC 109.5 . . ?
H1EA C1E H1EB 109.5 . . ?
H1EA C1E H1EC 109.5 . . ?
H1EB C1E H1EC 109.5 . . ?
C8 C1F H1F 119.8 . . ?
C21 C1F C8 120.3(4) . . ?
C21 C1F H1F 119.8 . . ?
N4 C15 C1B 119.9(3) . . ?
N4 C15 C1C 120.5(4) . . ?
C1C C15 C1B 119.7(4) . . ?
C3 C21 H21 119.6 . . ?
C1F C21 C3 120.9(4) . . ?
C1F C21 H21 119.6 . . ?
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 N1 1.997(3) . ?
Cu1 N2 1.912(3) . ?
Cu1 N4 2.002(3) . ?
Cu1 N3 1.914(3) . ?
O2 C12 1.228(4) . ?
N1 C9 1.376(4) . ?
N1 C3 1.328(5) . ?
N2 C20 1.404(4) . ?
N2 C12 1.346(4) . ?
O1 C 1.234(4) . ?
C20 C9 1.423(5) . ?
C20 C10 1.379(5) . ?
N4 C5 1.386(5) . ?
N4 C15 1.330(5) . ?
N3 C7 1.414(4) . ?
N3 C 1.341(4) . ?
C5 C7 1.415(5) . ?
C5 C13 1.413(5) . ?
C6 H6 0.9300 . ?
C6 C10 1.404(5) . ?
C6 C18 1.353(6) . ?
C7 C16 1.385(5) . ?
C8 C9 1.412(5) . ?
C8 C18 1.407(6) . ?
C8 C1F 1.407(6) . ?
C10 H10 0.9300 . ?
C C11 1.553(5) . ?
C11 C12 1.555(5) . ?
C11 C1A 1.537(5) . ?
C11 C1E 1.522(5) . ?
O HA 0.8500 . ?
O HB 0.8500 . ?
C13 C14 1.399(6) . ?
C13 C19 1.417(6) . ?
C14 H14 0.9300 . ?
C14 C1C 1.363(6) . ?
C3 C1D 1.494(5) . ?
C3 C21 1.415(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.408(5) . ?
C17 H17 0.9300 . ?
C17 C19 1.352(6) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C1A H1AA 0.9600 . ?
C1A H1AB 0.9600 . ?
C1A H1AC 0.9600 . ?
C1B H1BA 0.9600 . ?
C1B H1BB 0.9600 . ?
C1B H1BC 0.9600 . ?
C1B C15 1.505(6) . ?
C1C H1C 0.9300 . ?
C1C C15 1.413(5) . ?
C1D H1DA 0.9600 . ?
C1D H1DB 0.9600 . ?
C1D H1DC 0.9600 . ?
C1E H1EA 0.9600 . ?
C1E H1EB 0.9600 . ?
C1E H1EC 0.9600 . ?
C1F H1F 0.9300 . ?
C1F C21 1.354(6) . ?
C21 H21 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
_geom_torsion_publ_flag
Cu1 N1 C9 C20 10.7(4) . . . . ?
Cu1 N1 C9 C8 -171.5(3) . . . . ?
Cu1 N1 C3 C1D -7.6(6) . . . . ?
Cu1 N1 C3 C21 172.4(3) . . . . ?
Cu1 N2 C20 C9 -24.1(3) . . . . ?
Cu1 N2 C20 C10 162.0(3) . . . . ?
Cu1 N2 C12 O2 -156.3(3) . . . . ?
Cu1 N2 C12 C11 30.8(4) . . . . ?
Cu1 N4 C5 C7 8.4(4) . . . . ?
Cu1 N4 C5 C13 -173.9(3) . . . . ?
Cu1 N4 C15 C1B -7.8(5) . . . . ?
Cu1 N4 C15 C1C 173.7(3) . . . . ?
Cu1 N3 C7 C5 -12.1(4) . . . . ?
Cu1 N3 C7 C16 166.9(3) . . . . ?
Cu1 N3 C O1 163.2(3) . . . . ?
Cu1 N3 C C11 -19.1(4) . . . . ?
N1 C3 C21 C1F -0.4(7) . . . . ?
N2 C20 C9 N1 8.3(4) . . . . ?
N2 C20 C9 C8 -169.5(3) . . . . ?
N2 C20 C10 C6 170.9(4) . . . . ?
O1 C C11 C12 -134.0(3) . . . . ?
O1 C C11 C1A 107.0(4) . . . . ?
O1 C C11 C1E -9.1(5) . . . . ?
C20 N2 C12 O2 18.2(5) . . . . ?
C20 N2 C12 C11 -154.7(3) . . . . ?
N4 C5 C7 N3 2.1(4) . . . . ?
N4 C5 C7 C16 -177.0(3) . . . . ?
N4 C5 C13 C14 -1.5(5) . . . . ?
N4 C5 C13 C19 178.9(3) . . . . ?
N3 C7 C16 C17 177.8(4) . . . . ?
N3 C C11 C12 48.1(4) . . . . ?
N3 C C11 C1A -70.9(4) . . . . ?
N3 C C11 C1E 173.1(3) . . . . ?
C5 N4 C15 C1B 174.8(3) . . . . ?
C5 N4 C15 C1C -3.7(5) . . . . ?
C5 C7 C16 C17 -3.2(6) . . . . ?
C5 C13 C14 C1C -1.4(5) . . . . ?
C5 C13 C19 C17 -0.5(6) . . . . ?
C7 N3 C O1 1.5(6) . . . . ?
C7 N3 C C11 179.2(3) . . . . ?
C7 C5 C13 C14 176.2(3) . . . . ?
C7 C5 C13 C19 -3.4(5) . . . . ?
C7 C16 C17 C19 -0.6(7) . . . . ?
C8 C1F C21 C3 0.8(8) . . . . ?
C9 N1 C3 C1D 178.0(3) . . . . ?
C9 N1 C3 C21 -2.0(6) . . . . ?
C9 C20 C10 C6 -2.7(5) . . . . ?
C9 C8 C18 C6 0.0(6) . . . . ?
C9 C8 C1F C21 1.1(7) . . . . ?
C10 C20 C9 N1 -177.1(3) . . . . ?
C10 C20 C9 C8 5.2(5) . . . . ?
C10 C6 C18 C8 2.5(7) . . . . ?
C N3 C7 C5 151.7(3) . . . . ?
C N3 C7 C16 -29.3(6) . . . . ?
C C11 C12 O2 133.0(3) . . . . ?
C C11 C12 N2 -53.7(4) . . . . ?
C12 N2 C20 C9 160.6(3) . . . . ?
C12 N2 C20 C10 -13.2(6) . . . . ?
C13 C5 C7 N3 -175.7(3) . . . . ?
C13 C5 C7 C16 5.2(5) . . . . ?
C13 C14 C1C C15 1.8(6) . . . . ?
C14 C13 C19 C17 180.0(4) . . . . ?
C14 C1C C15 N4 0.8(6) . . . . ?
C14 C1C C15 C1B -177.7(3) . . . . ?
C3 N1 C9 C20 -173.7(3) . . . . ?
C3 N1 C9 C8 4.0(5) . . . . ?
C16 C17 C19 C13 2.4(7) . . . . ?
C18 C6 C10 C20 -1.0(6) . . . . ?
C18 C8 C9 N1 178.5(4) . . . . ?
C18 C8 C9 C20 -3.8(6) . . . . ?
C18 C8 C1F C21 179.0(5) . . . . ?
C19 C13 C14 C1C 178.2(4) . . . . ?
C1A C11 C12 O2 -108.1(4) . . . . ?
C1A C11 C12 N2 65.2(4) . . . . ?
C1D C3 C21 C1F 179.6(4) . . . . ?
C1E C11 C12 O2 8.6(4) . . . . ?
C1E C11 C12 N2 -178.1(3) . . . . ?
C1F C8 C9 N1 -3.5(6) . . . . ?
C1F C8 C9 C20 174.2(4) . . . . ?
C1F C8 C18 C6 -177.9(4) . . . . ?
C15 N4 C5 C7 -173.7(3) . . . . ?
C15 N4 C5 C13 4.1(5) . . . . ?
