#------------------------------------------------------------------------------
#$Date: 2023-04-04 13:11:04 +0300 (Tue, 04 Apr 2023) $
#$Revision: 282322 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/63/7246327.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_7246327
loop_
_publ_author_name
'Sendh, Jagajiban'
'Baruah, Jubaraj B.'
_publ_section_title
;
 Polymorphs, ionic cocrystal and inclusion complex of
 N-amino-1,8-naphthalimide
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              1928
_journal_page_last               1940
_journal_paper_doi               10.1039/D2CE01673G
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C48 H32 Cu N8 O8, 2(N O3)0.135[H2O]'
_chemical_formula_sum            'C3.43 H2.29 Cu0.07 N0.71 O'
_chemical_formula_weight         74.03
_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
_audit_creation_date             2022-07-24
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2022-08-06 deposited with the CCDC.	2023-02-23 downloaded from the CCDC.
;
_cell_angle_alpha                77.550(2)
_cell_angle_beta                 84.286(2)
_cell_angle_gamma                76.406(2)
_cell_formula_units_Z            14
_cell_length_a                   7.5784(5)
_cell_length_b                   11.6201(8)
_cell_length_c                   13.5062(9)
_cell_measurement_reflns_used    9918
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      2.63
_cell_volume                     1127.38(13)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0371
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            35467
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.077
_diffrn_reflns_theta_max         25.077
_diffrn_reflns_theta_min         2.155
_exptl_absorpt_coefficient_mu    0.568
_exptl_crystal_colour            greenishblue
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_description       block
_exptl_crystal_F_000             531
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.758
_refine_diff_density_min         -0.596
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         3983
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0613
_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)+(0.1029P)²+1.9900P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1731
_refine_ls_wR_factor_ref         0.1830
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3551
_reflns_number_total             3983
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ce01673g2.cif
_cod_data_source_block           '[CuL4](NO3)2'
_cod_depositor_comments
'Adding full bibliography for 7246323--7246328.cif.'
_cod_database_code               7246327
_shelx_shelxl_version_number     2018/3
_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.
;
_olex2_refinement_description
;
1.a Secondary CH2 refined with riding coordinates:
 N6(H6A,H6B), N8(H8A,H8B)
1.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C5(H5), C11(H11), C1(H1), C24(H24), C17(H17), C25(H25), C3(H3),
 C13(H13), C4(H4), C15(H15), C16(H16)
;
_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
Cu01 Cu 0.500000 0.500000 0.500000 0.0355(2) Uani 1 2 d S . P . .
O6 O 0.4820(3) 0.5612(2) 0.6526(2) 0.0404(6) Uani 1 1 d . . . . .
O7 O 1.0558(3) 0.3727(3) 0.4661(2) 0.0443(6) Uani 1 1 d . . . . .
O8 O 0.5680(4) 0.2028(3) 0.5278(2) 0.0502(7) Uani 1 1 d . . . . .
N5 N 0.2475(4) 0.4669(3) 0.6728(2) 0.0342(6) Uani 1 1 d . . . . .
O5 O 0.0295(4) 0.3588(3) 0.6932(2) 0.0557(8) Uani 1 1 d . . . . .
N6 N 0.3331(4) 0.4050(3) 0.5949(2) 0.0378(7) Uani 1 1 d . . . . .
H6A H 0.248474 0.393465 0.559089 0.045 Uiso 1 1 calc R U . . .
H6B H 0.397790 0.332852 0.622722 0.045 Uiso 1 1 calc R U . . .
N7 N 0.8172(4) 0.2830(3) 0.4956(2) 0.0383(7) Uani 1 1 d . . . . .
N8 N 0.7298(4) 0.3704(3) 0.5541(2) 0.0397(7) Uani 1 1 d . . . . .
H8A H 0.812153 0.409761 0.563860 0.048 Uiso 1 1 calc R U . . .
H8B H 0.698156 0.330669 0.614796 0.048 Uiso 1 1 calc R U . . .
C19 C 0.3405(4) 0.5445(3) 0.6994(3) 0.0337(7) Uani 1 1 d . . . . .
C6 C 0.8073(5) 0.1104(3) 0.4229(3) 0.0370(8) Uani 1 1 d . . . . .
C8 C 0.9821(5) 0.1152(3) 0.3767(3) 0.0357(8) Uani 1 1 d . . . . .
C7 C 0.7171(5) 0.1981(3) 0.4859(3) 0.0380(8) Uani 1 1 d . . . . .
C22 C 1.0743(5) 0.2030(3) 0.3899(3) 0.0352(8) Uani 1 1 d . . . . .
C10 C 0.9895(5) 0.2914(3) 0.4523(3) 0.0349(8) Uani 1 1 d . . . . .
C9 C 0.0861(5) 0.4357(4) 0.7205(3) 0.0397(8) Uani 1 1 d . . . . .
C18 C 0.2539(5) 0.6069(3) 0.7808(3) 0.0362(8) Uani 1 1 d . . . . .
C20 C 0.0830(5) 0.5882(3) 0.8256(3) 0.0388(8) Uani 1 1 d . . . . .
C23 C -0.0017(5) 0.5045(4) 0.7984(3) 0.0413(9) Uani 1 1 d . . . . .
C2 C 1.0661(5) 0.0301(3) 0.3158(3) 0.0436(9) Uani 1 1 d . . . . .
C12 C 1.2447(5) 0.2063(4) 0.3434(3) 0.0439(9) Uani 1 1 d . . . . .
H12 H 1.304885 0.264165 0.352378 0.053 Uiso 1 1 calc R U . . .
C5 C 0.7213(6) 0.0241(4) 0.4086(3) 0.0458(9) Uani 1 1 d . . . . .
H5 H 0.606154 0.021810 0.438913 0.055 Uiso 1 1 calc R U . . .
C11 C -0.1675(6) 0.4876(4) 0.8438(3) 0.0536(11) Uani 1 1 d . . . . .
H11 H -0.223433 0.432447 0.825807 0.064 Uiso 1 1 calc R U . . .
C1 C 1.2401(6) 0.0366(4) 0.2698(4) 0.0517(10) Uani 1 1 d . . . . .
H1 H 1.296976 -0.018894 0.229890 0.062 Uiso 1 1 calc R U . . .
C24 C 1.3263(6) 0.1225(4) 0.2826(3) 0.0508(10) Uani 1 1 d . . . . .
H24 H 1.440252 0.125498 0.250815 0.061 Uiso 1 1 calc R U . . .
C17 C 0.3363(6) 0.6851(4) 0.8110(3) 0.0496(10) Uani 1 1 d . . . . .
H17 H 0.448766 0.695916 0.781182 0.060 Uiso 1 1 calc R U . . .
C14 C -0.0026(6) 0.6549(4) 0.9005(3) 0.0514(10) Uani 1 1 d . . . . .
C25 C -0.2506(6) 0.5543(5) 0.9171(4) 0.0653(14) Uani 1 1 d . . . . .
H25 H -0.362243 0.542711 0.947786 0.078 Uiso 1 1 calc R U . . .
O4 O 0.5892(8) 0.2522(5) 0.7445(4) 0.125(2) Uani 1 1 d . . . . .
N9 N 0.5576(9) 0.2564(4) 0.8250(4) 0.0926(19) Uani 1 1 d . . . . .
C3 C 0.9731(6) -0.0574(4) 0.3041(4) 0.0532(10) Uani 1 1 d . . . . .
H3 H 1.027723 -0.114210 0.264952 0.064 Uiso 1 1 calc R U . . .
C13 C -0.1726(7) 0.6353(5) 0.9446(4) 0.0620(13) Uani 1 1 d . . . . .
H13 H -0.231737 0.678697 0.993178 0.074 Uiso 1 1 calc R U . . .
C4 C 0.8042(6) -0.0605(4) 0.3491(4) 0.0544(11) Uani 1 1 d . . . . .
H4 H 0.744547 -0.118683 0.340284 0.065 Uiso 1 1 calc R U . . .
C15 C 0.0877(8) 0.7345(5) 0.9284(4) 0.0676(14) Uani 1 1 d . . . . .
H15 H 0.032487 0.778796 0.977214 0.081 Uiso 1 1 calc R U . . .
C16 C 0.2541(8) 0.7491(5) 0.8860(4) 0.0665(13) Uani 1 1 d . . . . .
H16 H 0.312345 0.801154 0.906867 0.080 Uiso 1 1 calc R U . . .
O1 O 0.4811(8) 0.3276(6) 0.8696(5) 0.139(2) Uani 1 1 d . . . . .
O3 O 0.6910(16) 0.1899(8) 0.8841(6) 0.216(5) Uani 1 1 d . . . . .
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
O6 Cu01 O6 180.0 . 2_666 ?
N6 Cu01 O6 74.23(10) 2_666 2_666 ?
N6 Cu01 O6 74.23(10) . . ?
N6 Cu01 O6 105.77(10) . 2_666 ?
N6 Cu01 O6 105.77(10) 2_666 . ?
N6 Cu01 N6 180.0 . 2_666 ?
N6 Cu01 N8 90.91(13) 2_666 2_666 ?
N6 Cu01 N8 90.91(13) . . ?
N6 Cu01 N8 89.09(13) 2_666 . ?
N6 Cu01 N8 89.09(13) . 2_666 ?
N8 Cu01 O6 93.90(10) . 2_666 ?
N8 Cu01 O6 86.10(10) . . ?
N8 Cu01 O6 93.90(10) 2_666 . ?
N8 Cu01 O6 86.10(10) 2_666 2_666 ?
N8 Cu01 N8 180.0 . 2_666 ?
C19 O6 Cu01 109.1(2) . . ?
C19 N5 N6 116.0(3) . . ?
C19 N5 C9 127.0(3) . . ?
C9 N5 N6 116.8(3) . . ?
Cu01 N6 H6A 109.3 . . ?
Cu01 N6 H6B 109.3 . . ?
N5 N6 Cu01 111.4(2) . . ?
N5 N6 H6A 109.3 . . ?
N5 N6 H6B 109.3 . . ?
H6A N6 H6B 108.0 . . ?
C7 N7 N8 116.0(3) . . ?
C10 N7 N8 117.1(3) . . ?
C10 N7 C7 126.9(3) . . ?
Cu01 N8 H8A 107.5 . . ?
Cu01 N8 H8B 107.5 . . ?
N7 N8 Cu01 119.4(2) . . ?
N7 N8 H8A 107.5 . . ?
N7 N8 H8B 107.5 . . ?
H8A N8 H8B 107.0 . . ?
O6 C19 N5 120.0(3) . . ?
O6 C19 C18 124.0(3) . . ?
N5 C19 C18 116.0(3) . . ?
C8 C6 C7 120.1(3) . . ?
C5 C6 C8 120.0(4) . . ?
C5 C6 C7 119.9(3) . . ?
C6 C8 C2 119.1(3) . . ?
C22 C8 C6 121.4(3) . . ?
C22 C8 C2 119.5(3) . . ?
O8 C7 N7 119.2(3) . . ?
O8 C7 C6 125.5(3) . . ?
N7 C7 C6 115.3(3) . . ?
C8 C22 C10 120.1(3) . . ?
C12 C22 C8 120.3(3) . . ?
C12 C22 C10 119.5(3) . . ?
O7 C10 N7 118.7(3) . . ?
O7 C10 C22 125.1(3) . . ?
N7 C10 C22 116.2(3) . . ?
N5 C9 C23 115.2(3) . . ?
O5 C9 N5 118.9(3) . . ?
O5 C9 C23 125.9(3) . . ?
C20 C18 C19 119.8(3) . . ?
C17 C18 C19 119.6(3) . . ?
C17 C18 C20 120.6(3) . . ?
C18 C20 C14 118.7(4) . . ?
C23 C20 C18 121.6(3) . . ?
C23 C20 C14 119.7(4) . . ?
C20 C23 C9 119.9(3) . . ?
C11 C23 C9 119.7(4) . . ?
C11 C23 C20 120.4(4) . . ?
C1 C2 C8 118.4(4) . . ?
C3 C2 C8 118.7(4) . . ?
C3 C2 C1 122.9(4) . . ?
C22 C12 H12 120.0 . . ?
C22 C12 C24 119.9(4) . . ?
C24 C12 H12 120.0 . . ?
C6 C5 H5 119.5 . . ?
C6 C5 C4 121.0(4) . . ?
C4 C5 H5 119.5 . . ?
C23 C11 H11 120.3 . . ?
C23 C11 C25 119.3(5) . . ?
C25 C11 H11 120.3 . . ?
C2 C1 H1 119.3 . . ?
C24 C1 C2 121.4(4) . . ?
C24 C1 H1 119.3 . . ?
C12 C24 H24 119.7 . . ?
C1 C24 C12 120.5(4) . . ?
C1 C24 H24 119.7 . . ?
C18 C17 H17 119.5 . . ?
C18 C17 C16 120.9(4) . . ?
C16 C17 H17 119.5 . . ?
C13 C14 C20 118.1(4) . . ?
C15 C14 C20 118.4(4) . . ?
C15 C14 C13 123.5(4) . . ?
C11 C25 H25 119.2 . . ?
C13 C25 C11 121.6(4) . . ?
C13 C25 H25 119.2 . . ?
O4 N9 O1 136.1(7) . . ?
O4 N9 O3 112.5(7) . . ?
O1 N9 O3 104.6(7) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 C2 121.3(4) . . ?
C4 C3 H3 119.4 . . ?
C14 C13 H13 119.5 . . ?
C25 C13 C14 121.0(4) . . ?
C25 C13 H13 119.5 . . ?
C5 C4 H4 120.1 . . ?
C3 C4 C5 119.8(4) . . ?
C3 C4 H4 120.1 . . ?
C14 C15 H15 119.0 . . ?
C16 C15 C14 121.9(4) . . ?
C16 C15 H15 119.0 . . ?
C17 C16 H16 120.3 . . ?
C15 C16 C17 119.5(4) . . ?
C15 C16 H16 120.3 . . ?
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
Cu01 O6 2.303(2) 2_666 ?
Cu01 O6 2.303(2) . ?
Cu01 N6 2.046(3) 2_666 ?
Cu01 N6 2.046(3) . ?
Cu01 N8 2.093(3) 2_666 ?
Cu01 N8 2.093(3) . ?
O6 C19 1.224(4) . ?
O7 C10 1.224(4) . ?
O8 C7 1.207(4) . ?
N5 N6 1.421(4) . ?
N5 C19 1.389(5) . ?
N5 C9 1.412(4) . ?
O5 C9 1.213(5) . ?
N6 H6A 0.8900 . ?
N6 H6B 0.8900 . ?
N7 N8 1.422(4) . ?
N7 C7 1.412(5) . ?
N7 C10 1.393(5) . ?
N8 H8A 0.8900 . ?
N8 H8B 0.8900 . ?
C19 C18 1.463(5) . ?
C6 C8 1.415(5) . ?
C6 C7 1.470(5) . ?
C6 C5 1.373(5) . ?
C8 C22 1.414(5) . ?
C8 C2 1.417(5) . ?
C22 C10 1.460(5) . ?
C22 C12 1.384(5) . ?
C9 C23 1.471(5) . ?
C18 C20 1.418(5) . ?
C18 C17 1.363(6) . ?
C20 C23 1.409(6) . ?
C20 C14 1.419(5) . ?
C23 C11 1.380(5) . ?
C2 C1 1.412(6) . ?
C2 C3 1.408(6) . ?
C12 H12 0.9300 . ?
C12 C24 1.402(6) . ?
C5 H5 0.9300 . ?
C5 C4 1.398(6) . ?
C11 H11 0.9300 . ?
C11 C25 1.399(7) . ?
C1 H1 0.9300 . ?
C1 C24 1.363(6) . ?
C24 H24 0.9300 . ?
C17 H17 0.9300 . ?
C17 C16 1.396(6) . ?
C14 C13 1.412(7) . ?
C14 C15 1.402(7) . ?
C25 H25 0.9300 . ?
C25 C13 1.352(8) . ?
O4 N9 1.099(6) . ?
N9 O1 1.143(7) . ?
N9 O3 1.335(10) . ?
C3 H3 0.9300 . ?
C3 C4 1.366(6) . ?
C13 H13 0.9300 . ?
C4 H4 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.364(7) . ?
C16 H16 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
Cu01 O6 C19 N5 17.8(4) . . . . ?
Cu01 O6 C19 C18 -158.9(3) . . . . ?
O6 C19 C18 C20 175.3(3) . . . . ?
O6 C19 C18 C17 -2.9(6) . . . . ?
N5 C19 C18 C20 -1.5(5) . . . . ?
N5 C19 C18 C17 -179.7(3) . . . . ?
N5 C9 C23 C20 -4.4(5) . . . . ?
N5 C9 C23 C11 174.9(4) . . . . ?
O5 C9 C23 C20 177.5(4) . . . . ?
O5 C9 C23 C11 -3.1(6) . . . . ?
N6 N5 C19 O6 4.0(5) . . . . ?
N6 N5 C19 C18 -179.1(3) . . . . ?
N6 N5 C9 O5 0.1(5) . . . . ?
N6 N5 C9 C23 -178.1(3) . . . . ?
N8 N7 C7 O8 -1.1(5) . . . . ?
N8 N7 C7 C6 178.4(3) . . . . ?
N8 N7 C10 O7 -0.3(5) . . . . ?
N8 N7 C10 C22 -178.2(3) . . . . ?
C19 N5 N6 Cu01 -26.7(4) . . . . ?
C19 N5 C9 O5 -174.1(3) . . . . ?
C19 N5 C9 C23 7.7(5) . . . . ?
C19 C18 C20 C23 4.2(5) . . . . ?
C19 C18 C20 C14 -176.6(3) . . . . ?
C19 C18 C17 C16 177.8(4) . . . . ?
C6 C8 C22 C10 -0.1(5) . . . . ?
C6 C8 C22 C12 -179.5(3) . . . . ?
C6 C8 C2 C1 179.6(4) . . . . ?
C6 C8 C2 C3 -0.6(6) . . . . ?
C6 C5 C4 C3 -0.2(7) . . . . ?
C8 C6 C7 O8 179.3(4) . . . . ?
C8 C6 C7 N7 -0.2(5) . . . . ?
C8 C6 C5 C4 0.3(6) . . . . ?
C8 C22 C10 O7 -177.9(3) . . . . ?
C8 C22 C10 N7 -0.2(5) . . . . ?
C8 C22 C12 C24 0.1(6) . . . . ?
C8 C2 C1 C24 -0.3(7) . . . . ?
C8 C2 C3 C4 0.8(7) . . . . ?
C7 N7 N8 Cu01 -67.3(4) . . . . ?
C7 N7 C10 O7 178.1(3) . . . . ?
C7 N7 C10 C22 0.3(5) . . . . ?
C7 C6 C8 C22 0.3(5) . . . . ?
C7 C6 C8 C2 -179.7(3) . . . . ?
C7 C6 C5 C4 -179.9(4) . . . . ?
C22 C8 C2 C1 -0.3(6) . . . . ?
C22 C8 C2 C3 179.4(4) . . . . ?
C22 C12 C24 C1 -0.7(7) . . . . ?
C10 N7 N8 Cu01 111.4(3) . . . . ?
C10 N7 C7 O8 -179.6(3) . . . . ?
C10 N7 C7 C6 -0.1(5) . . . . ?
C10 C22 C12 C24 -179.4(4) . . . . ?
C9 N5 N6 Cu01 158.4(2) . . . . ?
C9 N5 C19 O6 178.3(3) . . . . ?
C9 N5 C19 C18 -4.8(5) . . . . ?
C9 C23 C11 C25 -179.4(4) . . . . ?
C18 C20 C23 C9 -1.1(5) . . . . ?
C18 C20 C23 C11 179.5(4) . . . . ?
C18 C20 C14 C13 -179.9(4) . . . . ?
C18 C20 C14 C15 -1.3(6) . . . . ?
C18 C17 C16 C15 -1.1(8) . . . . ?
C20 C18 C17 C16 -0.4(6) . . . . ?
C20 C23 C11 C25 -0.1(6) . . . . ?
C20 C14 C13 C25 0.8(7) . . . . ?
C20 C14 C15 C16 -0.2(8) . . . . ?
C23 C20 C14 C13 -0.7(6) . . . . ?
C23 C20 C14 C15 177.9(4) . . . . ?
C23 C11 C25 C13 0.1(7) . . . . ?
C2 C8 C22 C10 179.9(3) . . . . ?
C2 C8 C22 C12 0.4(5) . . . . ?
C2 C1 C24 C12 0.8(7) . . . . ?
C2 C3 C4 C5 -0.4(7) . . . . ?
C12 C22 C10 O7 1.6(6) . . . . ?
C12 C22 C10 N7 179.3(3) . . . . ?
C5 C6 C8 C22 -180.0(3) . . . . ?
C5 C6 C8 C2 0.1(5) . . . . ?
C5 C6 C7 O8 -0.5(6) . . . . ?
C5 C6 C7 N7 -180.0(3) . . . . ?
C11 C25 C13 C14 -0.5(8) . . . . ?
C1 C2 C3 C4 -179.5(4) . . . . ?
C17 C18 C20 C23 -177.6(4) . . . . ?
C17 C18 C20 C14 1.6(6) . . . . ?
C14 C20 C23 C9 179.7(3) . . . . ?
C14 C20 C23 C11 0.4(6) . . . . ?
C14 C15 C16 C17 1.4(8) . . . . ?
C3 C2 C1 C24 180.0(4) . . . . ?
C13 C14 C15 C16 178.3(5) . . . . ?
C15 C14 C13 C25 -177.8(5) . . . . ?
