#------------------------------------------------------------------------------
#$Date: 2023-09-08 01:56:23 +0300 (Fri, 08 Sep 2023) $
#$Revision: 286269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/39/7713911.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_7713911
loop_
_publ_author_name
'Arruri, Sathyanarayana'
'Réveret, François'
'Jouffret, Laurent'
'Boyer, Damien'
'Chadeyron, Genevieve'
'Cisnetti, Federico'
_publ_section_title
;
 Polymeric copper(I)--NHC complexes with bulky bidentate (N^C) ligands:
 synthesis and solid-state luminescence
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT01669B
_journal_year                    2023
_chemical_formula_sum            'C24 H31 Cl Cu N3 O'
_chemical_formula_weight         476.51
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-07-25 deposited with the CCDC.	2023-09-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.654(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.5133(13)
_cell_length_b                   12.5355(15)
_cell_length_c                   17.866(2)
_cell_measurement_reflns_used    1839
_cell_measurement_temperature    103.(2)
_cell_measurement_theta_max      29.6725
_cell_measurement_theta_min      2.0541
_cell_volume                     2327.7(5)
_computing_cell_refinement       'APEX3 v2019.11-0 (Bruker AXS)'
_computing_data_collection       APEX2
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 994)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0387
_diffrn_reflns_av_unetI/netI     0.0157
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            82654
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         2.419
_diffrn_source                   molybdene
_exptl_absorpt_coefficient_mu    1.073
_exptl_absorpt_correction_T_max  0.8737
_exptl_absorpt_correction_T_min  0.8080
_exptl_absorpt_correction_type   'Numerical Mu From Formula'
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.360
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.266
_exptl_crystal_size_mid          0.262
_exptl_crystal_size_min          0.230
_refine_diff_density_max         1.648
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         5337
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0354
_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)+(0.0432P)²+2.8561P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0899
_refine_ls_wR_factor_ref         0.0935
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4757
_reflns_number_total             5337
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01669b2.cif
_cod_data_source_block           CuNHOCCl_100K
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7713911
_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.
;
_shelx_estimated_absorpt_t_min   0.763
_shelx_estimated_absorpt_t_max   0.790
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'
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
Cu Cu 0.75841(2) 0.31636(2) 0.76894(2) 0.01771(8) Uani 1 1 d . . . . .
Cl1 Cl 0.63997(6) 0.27737(4) 0.85718(3) 0.03094(13) Uani 1 1 d . . . . .
O1 O 0.21396(14) 0.59634(14) 0.62656(9) 0.0282(3) Uani 1 1 d . . . . .
N1 N 0.70848(15) 0.49819(12) 0.66459(9) 0.0155(3) Uani 1 1 d . . . . .
N2 N 0.75477(15) 0.35704(12) 0.60721(9) 0.0153(3) Uani 1 1 d . . . . .
N3 N 0.56621(16) 0.73873(13) 0.69839(9) 0.0176(3) Uani 1 1 d . . . . .
C1 C 0.73878(17) 0.39383(14) 0.67690(10) 0.0150(3) Uani 1 1 d . . . . .
C2 C 0.70647(19) 0.52661(15) 0.58940(11) 0.0192(4) Uani 1 1 d . . . . .
H2 H 0.688753 0.595256 0.567801 0.023 Uiso 1 1 calc R U . . .
C3 C 0.73470(19) 0.43736(15) 0.55306(11) 0.0193(4) Uani 1 1 d . . . . .
H3 H 0.739857 0.430675 0.500634 0.023 Uiso 1 1 calc R U . . .
C4 C 0.67625(18) 0.57008(14) 0.72360(10) 0.0165(4) Uani 1 1 d . . . . .
H4A H 0.747900 0.620982 0.737530 0.020 Uiso 1 1 calc R U . . .
H4B H 0.666490 0.527878 0.769233 0.020 Uiso 1 1 calc R U . . .
C5 C 0.55379(18) 0.63163(15) 0.69856(10) 0.0163(4) Uani 1 1 d . . . . .
C6 C 0.43575(19) 0.58054(16) 0.67738(11) 0.0208(4) Uani 1 1 d . . . . .
C7 C 0.32915(19) 0.64514(18) 0.65323(11) 0.0213(4) Uani 1 1 d . . . . .
C8 C 0.3395(2) 0.75607(17) 0.65233(11) 0.0222(4) Uani 1 1 d . . . . .
C9 C 0.4606(2) 0.79768(16) 0.67663(11) 0.0217(4) Uani 1 1 d . . . . .
H9 H 0.469508 0.873096 0.678003 0.026 Uiso 1 1 calc R U . . .
C10 C 0.4220(2) 0.46100(18) 0.67983(17) 0.0352(6) Uani 1 1 d . . . . .
H10A H 0.336551 0.442730 0.691516 0.053 Uiso 1 1 calc R U . . .
H10B H 0.488021 0.431665 0.719017 0.053 Uiso 1 1 calc R U . . .
H10C H 0.432644 0.430838 0.630534 0.053 Uiso 1 1 calc R U . . .
C11 C 0.2271(2) 0.82787(19) 0.62539(13) 0.0303(5) Uani 1 1 d . . . . .
H11A H 0.256709 0.902018 0.625401 0.045 Uiso 1 1 calc R U . . .
H11B H 0.162491 0.820942 0.659288 0.045 Uiso 1 1 calc R U . . .
H11C H 0.189095 0.807398 0.573929 0.045 Uiso 1 1 calc R U . . .
C12 C 0.1247(2) 0.5903(2) 0.67959(14) 0.0332(5) Uani 1 1 d . . . . .
H12A H 0.160956 0.545816 0.722648 0.050 Uiso 1 1 calc R U . . .
H12B H 0.043841 0.558937 0.654859 0.050 Uiso 1 1 calc R U . . .
H12C H 0.108335 0.662198 0.697537 0.050 Uiso 1 1 calc R U . . .
C13 C 0.78310(18) 0.24698(14) 0.59194(10) 0.0149(3) Uani 1 1 d . . . . .
C14 C 0.6825(2) 0.17285(16) 0.58260(11) 0.0206(4) Uani 1 1 d . . . . .
C15 C 0.7123(2) 0.06733(17) 0.56718(12) 0.0283(5) Uani 1 1 d . . . . .
H15 H 0.645612 0.015528 0.560469 0.034 Uiso 1 1 calc R U . . .
C16 C 0.8359(3) 0.03683(17) 0.56151(12) 0.0298(5) Uani 1 1 d . . . . .
H16 H 0.853846 -0.035105 0.550020 0.036 Uiso 1 1 calc R U . . .
C17 C 0.9339(2) 0.11071(17) 0.57251(12) 0.0257(4) Uani 1 1 d . . . . .
H17 H 1.019294 0.088722 0.569046 0.031 Uiso 1 1 calc R U . . .
C18 C 0.91030(19) 0.21762(16) 0.58870(10) 0.0180(4) Uani 1 1 d . . . . .
C19 C 1.0197(2) 0.29685(18) 0.60383(12) 0.0252(4) Uani 1 1 d . . . . .
H19 H 0.994434 0.353166 0.638421 0.030 Uiso 1 1 calc R U . . .
C20 C 1.1433(2) 0.2441(3) 0.64298(14) 0.0419(7) Uani 1 1 d . . . . .
H20A H 1.124103 0.201156 0.685758 0.063 Uiso 1 1 calc R U . . .
H20B H 1.206333 0.299234 0.661422 0.063 Uiso 1 1 calc R U . . .
H20C H 1.178596 0.197997 0.606835 0.063 Uiso 1 1 calc R U . . .
C21 C 1.0464(2) 0.3514(2) 0.53107(14) 0.0317(5) Uani 1 1 d . . . . .
H21A H 1.072096 0.297736 0.496380 0.047 Uiso 1 1 calc R U . . .
H21B H 1.115734 0.403631 0.543355 0.047 Uiso 1 1 calc R U . . .
H21C H 0.968340 0.387779 0.506910 0.047 Uiso 1 1 calc R U . . .
C22 C 0.5452(2) 0.2040(2) 0.59032(13) 0.0303(5) Uani 1 1 d . . . . .
H22 H 0.547554 0.270560 0.621325 0.036 Uiso 1 1 calc R U . . .
C23 C 0.4659(3) 0.2246(2) 0.51437(15) 0.0410(6) Uani 1 1 d . . . . .
H23A H 0.506857 0.280481 0.487924 0.062 Uiso 1 1 calc R U . . .
H23B H 0.379489 0.247825 0.521461 0.062 Uiso 1 1 calc R U . . .
H23C H 0.459620 0.158975 0.484237 0.062 Uiso 1 1 calc R U . . .
C24 C 0.4801(3) 0.1140(4) 0.63126(19) 0.0648(11) Uani 1 1 d . . . . .
H24A H 0.400813 0.141373 0.646904 0.097 Uiso 1 1 calc R U . . .
H24B H 0.538955 0.090357 0.675980 0.097 Uiso 1 1 calc R U . . .
H24C H 0.459494 0.053692 0.596661 0.097 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'
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'
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'
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
C1 Cu N3 117.23(7) . 2_646 ?
C1 Cu Cl1 137.28(6) . . ?
N3 Cu Cl1 105.46(5) 2_646 . ?
C7 O1 C12 115.10(16) . . ?
C1 N1 C2 111.95(15) . . ?
C1 N1 C4 123.42(15) . . ?
C2 N1 C4 124.58(15) . . ?
C1 N2 C3 111.37(15) . . ?
C1 N2 C13 123.57(15) . . ?
C3 N2 C13 125.01(15) . . ?
C9 N3 C5 118.20(17) . . ?
C9 N3 Cu 118.79(13) . 2_656 ?
C5 N3 Cu 123.00(13) . 2_656 ?
N1 C1 N2 103.69(15) . . ?
N1 C1 Cu 128.86(14) . . ?
N2 C1 Cu 127.44(13) . . ?
C3 C2 N1 106.31(16) . . ?
C3 C2 H2 126.8 . . ?
N1 C2 H2 126.8 . . ?
C2 C3 N2 106.68(16) . . ?
C2 C3 H3 126.7 . . ?
N2 C3 H3 126.7 . . ?
N1 C4 C5 112.35(15) . . ?
N1 C4 H4A 109.1 . . ?
C5 C4 H4A 109.1 . . ?
N1 C4 H4B 109.1 . . ?
C5 C4 H4B 109.1 . . ?
H4A C4 H4B 107.9 . . ?
N3 C5 C6 122.54(17) . . ?
N3 C5 C4 115.52(16) . . ?
C6 C5 C4 121.94(17) . . ?
C5 C6 C7 117.16(18) . . ?
C5 C6 C10 122.21(19) . . ?
C7 C6 C10 120.64(19) . . ?
O1 C7 C8 120.36(19) . . ?
O1 C7 C6 118.19(19) . . ?
C8 C7 C6 121.38(19) . . ?
C9 C8 C7 116.24(18) . . ?
C9 C8 C11 121.0(2) . . ?
C7 C8 C11 122.7(2) . . ?
N3 C9 C8 124.43(19) . . ?
N3 C9 H9 117.8 . . ?
C8 C9 H9 117.8 . . ?
C6 C10 H10A 109.5 . . ?
C6 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C6 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O1 C12 H12A 109.5 . . ?
O1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
O1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 122.10(17) . . ?
C18 C13 N2 119.01(16) . . ?
C14 C13 N2 118.87(17) . . ?
C15 C14 C13 117.70(19) . . ?
C15 C14 C22 120.33(19) . . ?
C13 C14 C22 121.96(18) . . ?
C16 C15 C14 121.4(2) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C15 C16 C17 119.9(2) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C16 C17 C18 121.4(2) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C13 C18 C17 117.46(18) . . ?
C13 C18 C19 121.76(18) . . ?
C17 C18 C19 120.76(18) . . ?
C18 C19 C20 111.6(2) . . ?
C18 C19 C21 111.90(18) . . ?
C20 C19 C21 109.24(18) . . ?
C18 C19 H19 108.0 . . ?
C20 C19 H19 108.0 . . ?
C21 C19 H19 108.0 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C14 111.54(19) . . ?
C23 C22 C24 108.9(2) . . ?
C14 C22 C24 110.3(2) . . ?
C23 C22 H22 108.7 . . ?
C14 C22 H22 108.7 . . ?
C24 C22 H22 108.7 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
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
Cu C1 1.8941(18) . ?
Cu N3 2.0889(17) 2_646 ?
Cu Cl1 2.2057(6) . ?
O1 C7 1.376(2) . ?
O1 C12 1.432(3) . ?
N1 C1 1.357(2) . ?
N1 C2 1.387(2) . ?
N1 C4 1.465(2) . ?
N2 C1 1.362(2) . ?
N2 C3 1.390(2) . ?
N2 C13 1.446(2) . ?
N3 C9 1.342(3) . ?
N3 C5 1.349(2) . ?
C2 C3 1.349(3) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.510(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.397(3) . ?
C6 C7 1.397(3) . ?
C6 C10 1.507(3) . ?
C7 C8 1.395(3) . ?
C8 C9 1.383(3) . ?
C8 C11 1.506(3) . ?
C9 H9 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.397(3) . ?
C13 C14 1.399(3) . ?
C14 C15 1.396(3) . ?
C14 C22 1.521(3) . ?
C15 C16 1.373(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.377(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.401(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.513(3) . ?
C19 C20 1.531(3) . ?
C19 C21 1.532(3) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.505(3) . ?
C22 C24 1.558(4) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
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
C2 N1 C1 N2 -0.5(2) . . . . ?
C4 N1 C1 N2 176.94(16) . . . . ?
C2 N1 C1 Cu 178.31(14) . . . . ?
C4 N1 C1 Cu -4.3(3) . . . . ?
C3 N2 C1 N1 0.0(2) . . . . ?
C13 N2 C1 N1 -177.30(16) . . . . ?
C3 N2 C1 Cu -178.81(14) . . . . ?
C13 N2 C1 Cu 3.9(3) . . . . ?
N3 Cu C1 N1 -123.62(16) 2_646 . . . ?
Cl1 Cu C1 N1 58.6(2) . . . . ?
N3 Cu C1 N2 54.91(19) 2_646 . . . ?
Cl1 Cu C1 N2 -122.89(15) . . . . ?
C1 N1 C2 C3 0.8(2) . . . . ?
C4 N1 C2 C3 -176.61(17) . . . . ?
N1 C2 C3 N2 -0.7(2) . . . . ?
C1 N2 C3 C2 0.5(2) . . . . ?
C13 N2 C3 C2 177.73(17) . . . . ?
C1 N1 C4 C5 -130.41(18) . . . . ?
C2 N1 C4 C5 46.7(2) . . . . ?
C9 N3 C5 C6 -0.3(3) . . . . ?
Cu N3 C5 C6 179.28(14) 2_656 . . . ?
C9 N3 C5 C4 179.99(16) . . . . ?
Cu N3 C5 C4 -0.4(2) 2_656 . . . ?
N1 C4 C5 N3 -119.73(17) . . . . ?
N1 C4 C5 C6 60.6(2) . . . . ?
N3 C5 C6 C7 2.0(3) . . . . ?
C4 C5 C6 C7 -178.34(17) . . . . ?
N3 C5 C6 C10 -178.2(2) . . . . ?
C4 C5 C6 C10 1.5(3) . . . . ?
C12 O1 C7 C8 -83.1(2) . . . . ?
C12 O1 C7 C6 100.1(2) . . . . ?
C5 C6 C7 O1 175.06(17) . . . . ?
C10 C6 C7 O1 -4.7(3) . . . . ?
C5 C6 C7 C8 -1.7(3) . . . . ?
C10 C6 C7 C8 178.5(2) . . . . ?
O1 C7 C8 C9 -176.79(17) . . . . ?
C6 C7 C8 C9 -0.1(3) . . . . ?
O1 C7 C8 C11 2.2(3) . . . . ?
C6 C7 C8 C11 178.91(19) . . . . ?
C5 N3 C9 C8 -1.7(3) . . . . ?
Cu N3 C9 C8 178.66(16) 2_656 . . . ?
C7 C8 C9 N3 1.9(3) . . . . ?
C11 C8 C9 N3 -177.09(19) . . . . ?
C1 N2 C13 C18 -98.7(2) . . . . ?
C3 N2 C13 C18 84.4(2) . . . . ?
C1 N2 C13 C14 79.9(2) . . . . ?
C3 N2 C13 C14 -97.1(2) . . . . ?
C18 C13 C14 C15 -2.1(3) . . . . ?
N2 C13 C14 C15 179.39(17) . . . . ?
C18 C13 C14 C22 176.68(19) . . . . ?
N2 C13 C14 C22 -1.8(3) . . . . ?
C13 C14 C15 C16 0.2(3) . . . . ?
C22 C14 C15 C16 -178.6(2) . . . . ?
C14 C15 C16 C17 1.2(3) . . . . ?
C15 C16 C17 C18 -0.7(3) . . . . ?
C14 C13 C18 C17 2.6(3) . . . . ?
N2 C13 C18 C17 -178.93(16) . . . . ?
C14 C13 C18 C19 -176.01(18) . . . . ?
N2 C13 C18 C19 2.5(3) . . . . ?
C16 C17 C18 C13 -1.1(3) . . . . ?
C16 C17 C18 C19 177.46(19) . . . . ?
C13 C18 C19 C20 145.8(2) . . . . ?
C17 C18 C19 C20 -32.7(3) . . . . ?
C13 C18 C19 C21 -91.5(2) . . . . ?
C17 C18 C19 C21 90.0(2) . . . . ?
C15 C14 C22 C23 -83.6(3) . . . . ?
C13 C14 C22 C23 97.7(2) . . . . ?
C15 C14 C22 C24 37.7(3) . . . . ?
C13 C14 C22 C24 -141.1(2) . . . . ?
