#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:41:51 +0100 (vie 25 de mar de 2016) $
#$Revision: 179858 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/54/7015437.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_7015437
loop_
_publ_author_name
'Peng, Xiaohong'
'Tang, Xiaoliang'
'Qin, Wenwu'
'Dou, Wei'
'Guo, Yanling'
'Zheng, Jiangrong'
'Liu, Weisheng'
'Wang, Daqi'
_publ_section_title
;
 Aroylhydrazone derivative as fluorescent sensor for highly selective
 recognition of Zn(2+) ions: syntheses, characterization, crystal
 structures and spectroscopic properties.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5271
_journal_page_last               5277
_journal_paper_doi               10.1039/c0dt01590c
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C23 H32 Cu N2 O5'
_chemical_formula_weight         480.05
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.223(2)
_cell_angle_beta                 93.968(2)
_cell_angle_gamma                105.547(3)
_cell_formula_units_Z            2
_cell_length_a                   6.8520(8)
_cell_length_b                   9.5110(10)
_cell_length_c                   19.477(2)
_cell_measurement_reflns_used    2247
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.766
_cell_measurement_theta_min      2.315
_cell_volume                     1198.6(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0630
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            6236
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    0.945
_exptl_absorpt_correction_T_max  0.7211
_exptl_absorpt_correction_T_min  0.6493
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             506
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.37
_refine_diff_density_max         0.981
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         4125
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1032P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1450
_refine_ls_wR_factor_ref         0.1606
_reflns_number_gt                3029
_reflns_number_total             4125
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01590c.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015437
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.56979(8) 0.23803(5) 0.58054(3) 0.0347(2) Uani 1 1 d . . .
N1 N 0.7496(5) 0.4942(4) 0.53011(17) 0.0312(8) Uani 1 1 d . . .
N2 N 0.7092(5) 0.4432(4) 0.59193(17) 0.0303(8) Uani 1 1 d . . .
O1 O 0.5930(4) 0.2483(3) 0.48197(14) 0.0358(7) Uani 1 1 d . . .
O2 O 0.8351(5) 0.6838(3) 0.44983(16) 0.0460(8) Uani 1 1 d . . .
H2 H 0.8148 0.6541 0.4867 0.069 Uiso 1 1 calc R . .
O3 O 0.5809(5) 0.2386(3) 0.67597(14) 0.0415(8) Uani 1 1 d . . .
O4 O 0.3695(4) 0.0382(3) 0.56057(15) 0.0385(7) Uani 1 1 d . . .
H4A H 0.4310 -0.0282 0.5614 0.046 Uiso 1 1 d R . .
H4B H 0.3039 0.0233 0.5202 0.046 Uiso 1 1 d R . .
O5 O 0.8519(5) 0.0631(4) 0.56382(18) 0.0658(10) Uani 1 1 d . . .
H5 H 0.9558 0.0964 0.5462 0.079 Uiso 1 1 d R . .
C1 C 0.6844(6) 0.3835(4) 0.4762(2) 0.0298(9) Uani 1 1 d . . .
C2 C 0.7158(6) 0.4192(4) 0.4059(2) 0.0311(9) Uani 1 1 d . . .
C3 C 0.7883(6) 0.5661(5) 0.3959(2) 0.0326(9) Uani 1 1 d . . .
C4 C 0.8103(7) 0.5955(5) 0.3289(2) 0.0419(11) Uani 1 1 d . . .
H4 H 0.8571 0.6932 0.3225 0.050 Uiso 1 1 calc R . .
C5 C 0.7639(7) 0.4818(5) 0.2721(2) 0.0473(12) Uani 1 1 d . . .
H5A H 0.7803 0.5024 0.2274 0.057 Uiso 1 1 calc R . .
C6 C 0.6933(8) 0.3379(5) 0.2811(2) 0.0492(12) Uani 1 1 d . . .
H6 H 0.6609 0.2609 0.2425 0.059 Uiso 1 1 calc R . .
C7 C 0.6701(7) 0.3070(5) 0.3473(2) 0.0427(11) Uani 1 1 d . . .
H7 H 0.6227 0.2087 0.3527 0.051 Uiso 1 1 calc R . .
C8 C 0.7658(6) 0.5368(4) 0.6503(2) 0.0326(9) Uani 1 1 d . . .
H8 H 0.8313 0.6351 0.6485 0.039 Uiso 1 1 calc R . .
C9 C 0.7342(6) 0.4991(4) 0.7176(2) 0.0332(9) Uani 1 1 d . . .
C10 C 0.6451(6) 0.3527(4) 0.7277(2) 0.0323(9) Uani 1 1 d . . .
C11 C 0.6218(7) 0.3281(5) 0.7972(2) 0.0380(10) Uani 1 1 d . . .
C12 C 0.6921(7) 0.4498(5) 0.8516(2) 0.0463(12) Uani 1 1 d . . .
H12 H 0.6772 0.4332 0.8970 0.056 Uiso 1 1 calc R . .
C13 C 0.7835(7) 0.5955(5) 0.8432(2) 0.0441(11) Uani 1 1 d . . .
C14 C 0.8027(7) 0.6178(5) 0.7763(2) 0.0383(10) Uani 1 1 d . . .
H14 H 0.8621 0.7133 0.7688 0.046 Uiso 1 1 calc R . .
C15 C 0.5296(8) 0.1714(5) 0.8111(2) 0.0492(13) Uani 1 1 d . . .
C16 C 0.3119(8) 0.1077(6) 0.7735(3) 0.0655(16) Uani 1 1 d . . .
H16A H 0.2306 0.1715 0.7896 0.098 Uiso 1 1 calc R . .
H16B H 0.2535 0.0104 0.7834 0.098 Uiso 1 1 calc R . .
H16C H 0.3151 0.1011 0.7239 0.098 Uiso 1 1 calc R . .
C17 C 0.6601(10) 0.0725(6) 0.7851(3) 0.0718(17) Uani 1 1 d . . .
H17A H 0.6663 0.0692 0.7358 0.108 Uiso 1 1 calc R . .
H17B H 0.6013 -0.0260 0.7934 0.108 Uiso 1 1 calc R . .
H17C H 0.7953 0.1116 0.8096 0.108 Uiso 1 1 calc R . .
C18 C 0.5171(11) 0.1698(7) 0.8890(3) 0.083(2) Uani 1 1 d . . .
H18A H 0.6516 0.2080 0.9141 0.124 Uiso 1 1 calc R . .
H18B H 0.4585 0.0698 0.8954 0.124 Uiso 1 1 calc R . .
H18C H 0.4333 0.2307 0.9064 0.124 Uiso 1 1 calc R . .
C19 C 0.8530(10) 0.7204(6) 0.9071(3) 0.0649(16) Uani 1 1 d . . .
C20 C 0.9253(18) 0.6764(8) 0.9687(4) 0.155(5) Uani 1 1 d . . .
H20A H 0.8306 0.5863 0.9754 0.232 Uiso 1 1 calc R . .
H20B H 0.9374 0.7532 1.0086 0.232 Uiso 1 1 calc R . .
H20C H 1.0562 0.6601 0.9634 0.232 Uiso 1 1 calc R . .
C21 C 0.6489(15) 0.7633(9) 0.9283(4) 0.135(4) Uani 1 1 d . . .
H21A H 0.5617 0.6827 0.9455 0.202 Uiso 1 1 calc R . .
H21B H 0.5783 0.7817 0.8879 0.202 Uiso 1 1 calc R . .
H21C H 0.6859 0.8510 0.9641 0.202 Uiso 1 1 calc R . .
C22 C 0.9772(15) 0.8614(7) 0.8903(4) 0.118(3) Uani 1 1 d . . .
H22A H 1.0025 0.9389 0.9308 0.177 Uiso 1 1 calc R . .
H22B H 0.9049 0.8872 0.8525 0.177 Uiso 1 1 calc R . .
H22C H 1.1047 0.8494 0.8768 0.177 Uiso 1 1 calc R . .
C23 C 0.8883(9) -0.0320(7) 0.6080(3) 0.0742(18) Uani 1 1 d . . .
H23A H 1.0029 -0.0660 0.5950 0.111 Uiso 1 1 calc R . .
H23B H 0.7699 -0.1157 0.6036 0.111 Uiso 1 1 calc R . .
H23C H 0.9171 0.0204 0.6556 0.111 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'
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'
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
O3 Cu1 N2 94.10(13) . . ?
O3 Cu1 O1 173.21(13) . . ?
N2 Cu1 O1 81.78(12) . . ?
O3 Cu1 O4 90.80(12) . . ?
N2 Cu1 O4 166.71(13) . . ?
O1 Cu1 O4 94.40(11) . . ?
O3 Cu1 O5 92.01(12) . . ?
N2 Cu1 O5 110.46(12) . . ?
O1 Cu1 O5 84.44(11) . . ?
O4 Cu1 O5 81.66(11) . . ?
C1 N1 N2 110.0(3) . . ?
C8 N2 N1 118.5(3) . . ?
C8 N2 Cu1 126.6(3) . . ?
N1 N2 Cu1 114.9(2) . . ?
C1 O1 Cu1 109.6(2) . . ?
C3 O2 H2 109.5 . . ?
C10 O3 Cu1 128.2(3) . . ?
Cu1 O4 H4A 110.0 . . ?
Cu1 O4 H4B 109.9 . . ?
H4A O4 H4B 108.5 . . ?
C23 O5 Cu1 125.9(3) . . ?
C23 O5 H5 109.5 . . ?
Cu1 O5 H5 117.9 . . ?
O1 C1 N1 123.6(4) . . ?
O1 C1 C2 119.4(4) . . ?
N1 C1 C2 117.0(4) . . ?
C7 C2 C3 117.9(4) . . ?
C7 C2 C1 120.5(4) . . ?
C3 C2 C1 121.6(4) . . ?
O2 C3 C4 117.6(4) . . ?
O2 C3 C2 122.4(4) . . ?
C4 C3 C2 120.0(4) . . ?
C5 C4 C3 120.6(4) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C6 C5 C4 120.0(4) . . ?
C6 C5 H5A 120.0 . . ?
C4 C5 H5A 120.0 . . ?
C5 C6 C7 120.1(4) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 C2 121.5(4) . . ?
C6 C7 H7 119.3 . . ?
C2 C7 H7 119.3 . . ?
N2 C8 C9 124.2(4) . . ?
N2 C8 H8 117.9 . . ?
C9 C8 H8 117.9 . . ?
C10 C9 C14 120.1(4) . . ?
C10 C9 C8 123.4(4) . . ?
C14 C9 C8 116.5(4) . . ?
O3 C10 C9 123.1(4) . . ?
O3 C10 C11 118.3(4) . . ?
C9 C10 C11 118.6(4) . . ?
C12 C11 C10 117.7(4) . . ?
C12 C11 C15 121.6(4) . . ?
C10 C11 C15 120.6(4) . . ?
C11 C12 C13 125.0(4) . . ?
C11 C12 H12 117.5 . . ?
C13 C12 H12 117.5 . . ?
C14 C13 C12 116.7(4) . . ?
C14 C13 C19 123.2(4) . . ?
C12 C13 C19 120.2(4) . . ?
C13 C14 C9 121.9(4) . . ?
C13 C14 H14 119.0 . . ?
C9 C14 H14 119.0 . . ?
C17 C15 C18 108.1(5) . . ?
C17 C15 C11 109.6(4) . . ?
C18 C15 C11 112.2(4) . . ?
C17 C15 C16 109.9(5) . . ?
C18 C15 C16 107.3(4) . . ?
C11 C15 C16 109.8(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C22 116.7(7) . . ?
C20 C19 C13 114.3(5) . . ?
C22 C19 C13 113.0(5) . . ?
C20 C19 C21 103.1(7) . . ?
C22 C19 C21 101.8(6) . . ?
C13 C19 C21 105.8(5) . . ?
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 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C23 H23A 109.5 . . ?
O5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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
Cu1 O3 1.854(3) . ?
Cu1 N2 1.898(3) . ?
Cu1 O1 1.953(3) . ?
Cu1 O4 1.984(3) . ?
Cu1 O5 2.872(4) . ?
N1 C1 1.319(5) . ?
N1 N2 1.387(4) . ?
N2 C8 1.290(5) . ?
O1 C1 1.297(5) . ?
O2 C3 1.357(5) . ?
O2 H2 0.8200 . ?
O3 C10 1.311(5) . ?
O4 H4A 0.8500 . ?
O4 H4B 0.8500 . ?
O5 C23 1.401(6) . ?
O5 H5 0.8200 . ?
C1 C2 1.479(5) . ?
C2 C7 1.386(6) . ?
C2 C3 1.402(6) . ?
C3 C4 1.389(6) . ?
C4 C5 1.371(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.367(6) . ?
C5 H5A 0.9300 . ?
C6 C7 1.378(6) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.428(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.413(6) . ?
C9 C14 1.426(6) . ?
C10 C11 1.423(6) . ?
C11 C12 1.390(6) . ?
C11 C15 1.530(6) . ?
C12 C13 1.400(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.363(6) . ?
C13 C19 1.525(7) . ?
C14 H14 0.9300 . ?
C15 C17 1.517(8) . ?
C15 C18 1.528(7) . ?
C15 C16 1.533(7) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.432(9) . ?
C19 C22 1.482(8) . ?
C19 C21 1.620(11) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
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
C1 N1 N2 C8 179.0(3) . . . . ?
C1 N1 N2 Cu1 -1.8(4) . . . . ?
O3 Cu1 N2 C8 -4.8(4) . . . . ?
O1 Cu1 N2 C8 -179.4(4) . . . . ?
O4 Cu1 N2 C8 106.6(6) . . . . ?
O5 Cu1 N2 C8 -98.5(3) . . . . ?
O3 Cu1 N2 N1 176.0(3) . . . . ?
O1 Cu1 N2 N1 1.4(3) . . . . ?
O4 Cu1 N2 N1 -72.6(6) . . . . ?
O5 Cu1 N2 N1 82.3(3) . . . . ?
O3 Cu1 O1 C1 -53.8(11) . . . . ?
N2 Cu1 O1 C1 -0.8(3) . . . . ?
O4 Cu1 O1 C1 166.4(3) . . . . ?
O5 Cu1 O1 C1 -112.5(3) . . . . ?
N2 Cu1 O3 C10 6.9(4) . . . . ?
O1 Cu1 O3 C10 59.3(11) . . . . ?
O4 Cu1 O3 C10 -160.8(4) . . . . ?
O5 Cu1 O3 C10 117.5(4) . . . . ?
O3 Cu1 O5 C23 24.2(4) . . . . ?
N2 Cu1 O5 C23 119.3(4) . . . . ?
O1 Cu1 O5 C23 -161.6(4) . . . . ?
O4 Cu1 O5 C23 -66.3(4) . . . . ?
Cu1 O1 C1 N1 0.0(5) . . . . ?
Cu1 O1 C1 C2 -178.8(3) . . . . ?
N2 N1 C1 O1 1.1(5) . . . . ?
N2 N1 C1 C2 180.0(3) . . . . ?
O1 C1 C2 C7 -7.5(6) . . . . ?
N1 C1 C2 C7 173.6(4) . . . . ?
O1 C1 C2 C3 171.2(4) . . . . ?
N1 C1 C2 C3 -7.7(6) . . . . ?
C7 C2 C3 O2 179.3(4) . . . . ?
C1 C2 C3 O2 0.5(6) . . . . ?
C7 C2 C3 C4 0.6(6) . . . . ?
C1 C2 C3 C4 -178.2(4) . . . . ?
O2 C3 C4 C5 -179.4(4) . . . . ?
C2 C3 C4 C5 -0.7(7) . . . . ?
C3 C4 C5 C6 0.6(7) . . . . ?
C4 C5 C6 C7 -0.4(8) . . . . ?
C5 C6 C7 C2 0.4(7) . . . . ?
C3 C2 C7 C6 -0.5(7) . . . . ?
C1 C2 C7 C6 178.4(4) . . . . ?
N1 N2 C8 C9 -179.8(4) . . . . ?
Cu1 N2 C8 C9 1.0(6) . . . . ?
N2 C8 C9 C10 3.0(7) . . . . ?
N2 C8 C9 C14 -178.5(4) . . . . ?
Cu1 O3 C10 C9 -5.1(6) . . . . ?
Cu1 O3 C10 C11 174.2(3) . . . . ?
C14 C9 C10 O3 -179.4(4) . . . . ?
C8 C9 C10 O3 -0.9(7) . . . . ?
C14 C9 C10 C11 1.3(6) . . . . ?
C8 C9 C10 C11 179.8(4) . . . . ?
O3 C10 C11 C12 179.5(4) . . . . ?
C9 C10 C11 C12 -1.2(6) . . . . ?
O3 C10 C11 C15 1.7(6) . . . . ?
C9 C10 C11 C15 -178.9(4) . . . . ?
C10 C11 C12 C13 0.3(7) . . . . ?
C15 C11 C12 C13 178.0(5) . . . . ?
C11 C12 C13 C14 0.4(8) . . . . ?
C11 C12 C13 C19 179.5(5) . . . . ?
C12 C13 C14 C9 -0.3(7) . . . . ?
C19 C13 C14 C9 -179.3(5) . . . . ?
C10 C9 C14 C13 -0.6(7) . . . . ?
C8 C9 C14 C13 -179.1(4) . . . . ?
C12 C11 C15 C17 -117.3(5) . . . . ?
C10 C11 C15 C17 60.4(6) . . . . ?
C12 C11 C15 C18 2.7(7) . . . . ?
C10 C11 C15 C18 -179.6(5) . . . . ?
C12 C11 C15 C16 121.9(5) . . . . ?
C10 C11 C15 C16 -60.4(6) . . . . ?
C14 C13 C19 C20 -147.5(7) . . . . ?
C12 C13 C19 C20 33.5(9) . . . . ?
C14 C13 C19 C22 -10.9(9) . . . . ?
C12 C13 C19 C22 170.2(6) . . . . ?
C14 C13 C19 C21 99.7(6) . . . . ?
C12 C13 C19 C21 -79.3(6) . . . . ?
