#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/24/12/2241294.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2241294
loop_
_publ_author_name
'Chetioui, Souheyla'
'Hamdouni, Noudjoud'
'Bochet, Christian G.'
'Djukic, Jean-Pierre'
'Bailly, Corinne'
_publ_section_title
;
 Crystal structure of
 bis{μ-1-[(E)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ³N²,O:O}bis({1-[(E)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ²N²,O}copper(II))
;
_journal_coeditor_code           IS5425
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m211
_journal_page_last               m212
_journal_paper_doi               10.1107/S2056989015020824
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Cu2 (C17 H13 N2 O2)4]'
_chemical_formula_moiety         'C68 H52 Cu2 N8 O8'
_chemical_formula_sum            'C68 H52 Cu2 N8 O8'
_chemical_formula_weight         1236.26
_chemical_name_systematic
Bis{μ-1-[(E)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ³N²,O:O}bis({1-[(E)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ²N²,O}copper(II))
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 104.268(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.260(5)
_cell_length_b                   7.707(5)
_cell_length_c                   22.325(5)
_cell_measurement_reflns_used    2052
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.64
_cell_measurement_theta_min      3.12
_cell_volume                     2711(2)
_computing_cell_refinement
;
SAINT (Bruker, 2006)
;
_computing_data_collection
;
APEX2 (Bruker, 2006)
;
_computing_data_reduction
;
SAINT (Bruker, 2006)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
WinGX (Farrugia, 2012)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR92 (Altomare et al., 1993)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  triumph
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            25289
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.98
_diffrn_reflns_theta_min         1.776
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.855
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2006)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1276
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.463
_refine_diff_density_min         -0.326
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     388
_refine_ls_number_reflns         6516
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0395
_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)+(0.0392P)²+1.8473P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0816
_refine_ls_wR_factor_ref         0.0906
_reflns_number_gt                4941
_reflns_number_total             6516
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            is5425sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2241294
_cod_database_fobs_code          2241294
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_occupancy
Cu Cu 0.43895(2) 0.16467(3) 0.96464(2) 0.01680(10) Uani . 1.000
O O1 0.03530(9) 0.1354(2) 0.96483(8) 0.0327(5) Uani . 1.000
O O2 0.51647(8) 0.14161(18) 1.04496(7) 0.0179(4) Uani . 1.000
O O3 0.83178(9) 0.3080(2) 0.93754(8) 0.0298(5) Uani . 1.000
O O4 0.35788(9) 0.21050(19) 0.88861(7) 0.0197(4) Uani . 1.000
N N1 0.34448(10) 0.1210(2) 1.00735(8) 0.0168(5) Uani . 1.000
N N2 0.34504(10) 0.1706(2) 1.06202(8) 0.0184(5) Uani . 1.000
N N3 0.52791(10) 0.2345(2) 0.91924(8) 0.0164(5) Uani . 1.000
N N4 0.52351(11) 0.1912(2) 0.86321(8) 0.0177(5) Uani . 1.000
C C1 0.26175(13) 0.0628(3) 0.97394(10) 0.0180(6) Uani . 1.000
C C2 0.18925(13) 0.1284(3) 0.98921(10) 0.0198(6) Uani . 1.000
C C3 0.11017(13) 0.0752(3) 0.95503(11) 0.0255(7) Uani . 1.000
C C4 0.10379(15) -0.0434(3) 0.90725(11) 0.0312(8) Uani . 1.000
C C5 0.17587(16) -0.1075(3) 0.89314(11) 0.0298(7) Uani . 1.000
C C6 0.25590(14) -0.0540(3) 0.92616(10) 0.0224(7) Uani . 1.000
C C7 0.41663(13) 0.2373(3) 1.10110(10) 0.0181(6) Uani . 1.000
C C8 0.49944(13) 0.2220(3) 1.09202(10) 0.0169(6) Uani . 1.000
C C9 0.56755(14) 0.2969(3) 1.13794(10) 0.0219(6) Uani . 1.000
C C10 0.55333(14) 0.3848(3) 1.18703(11) 0.0246(7) Uani . 1.000
C C11 0.47097(14) 0.4023(3) 1.19736(10) 0.0227(6) Uani . 1.000
C C12 0.40167(14) 0.3241(3) 1.15493(10) 0.0216(6) Uani . 1.000
C C13 0.32039(15) 0.3378(3) 1.16662(11) 0.0301(7) Uani . 1.000
C C14 0.30890(17) 0.4270(4) 1.21729(12) 0.0378(9) Uani . 1.000
C C15 0.37733(18) 0.5083(4) 1.25783(12) 0.0382(9) Uani . 1.000
C C16 0.45651(17) 0.4960(3) 1.24817(11) 0.0326(8) Uani . 1.000
C C17 0.03923(16) 0.2459(4) 1.01626(13) 0.0375(9) Uani . 1.000
C C18 0.60985(13) 0.3057(3) 0.94875(10) 0.0169(6) Uani . 1.000
C C19 0.68012(13) 0.2692(3) 0.92585(10) 0.0191(6) Uani . 1.000
C C20 0.75860(13) 0.3374(3) 0.95597(10) 0.0209(6) Uani . 1.000
C C21 0.76648(14) 0.4400(3) 1.00807(11) 0.0223(6) Uani . 1.000
C C22 0.69622(13) 0.4775(3) 1.02969(10) 0.0218(6) Uani . 1.000
C C23 0.61679(13) 0.4110(3) 1.00022(10) 0.0185(6) Uani . 1.000
C C24 0.44976(13) 0.1318(2) 0.82480(10) 0.0168(6) Uani . 1.000
C C25 0.36914(12) 0.1495(3) 0.83733(10) 0.0174(6) Uani . 1.000
C C26 0.29605(14) 0.1012(3) 0.78953(10) 0.0235(7) Uani . 1.000
C C27 0.30412(14) 0.0283(3) 0.73592(10) 0.0245(7) Uani . 1.000
C C28 0.38469(14) 0.0045(3) 0.72267(10) 0.0215(6) Uani . 1.000
C C29 0.45840(13) 0.0612(3) 0.76664(10) 0.0187(6) Uani . 1.000
C C30 0.53741(14) 0.0439(3) 0.75208(11) 0.0269(7) Uani . 1.000
C C31 0.54277(16) -0.0265(3) 0.69672(12) 0.0343(8) Uani . 1.000
C C32 0.47031(16) -0.0870(3) 0.65411(12) 0.0339(8) Uani . 1.000
C C33 0.39286(16) -0.0727(3) 0.66692(11) 0.0294(7) Uani . 1.000
C C34 0.82769(15) 0.1918(3) 0.88753(12) 0.0325(8) Uani . 1.000
H H2 0.30450 -0.09610 0.91630 0.0270 Uiso calc 1.000
H H3 0.17100 -0.18740 0.86120 0.0360 Uiso calc 1.000
H H4 0.05060 -0.07980 0.88470 0.0370 Uiso calc 1.000
H H6 0.19410 0.20630 1.02170 0.0240 Uiso calc 1.000
H H9 0.62290 0.28490 1.13400 0.0260 Uiso calc 1.000
H H10 0.59910 0.43550 1.21490 0.0300 Uiso calc 1.000
H H13 0.27410 0.28580 1.13970 0.0360 Uiso calc 1.000
H H14 0.25510 0.43340 1.22460 0.0450 Uiso calc 1.000
H H15 0.36870 0.57080 1.29140 0.0460 Uiso calc 1.000
H H16 0.50180 0.55010 1.27540 0.0390 Uiso calc 1.000
H H17A -0.01720 0.27850 1.01780 0.0560 Uiso calc 1.000
H H17B 0.06640 0.18600 1.05360 0.0560 Uiso calc 1.000
H H17C 0.07120 0.34810 1.01220 0.0560 Uiso calc 1.000
H H19 0.67470 0.20030 0.89090 0.0230 Uiso calc 1.000
H H21 0.81930 0.48350 1.02840 0.0270 Uiso calc 1.000
H H22 0.70180 0.54800 1.06430 0.0260 Uiso calc 1.000
H H23 0.56930 0.43680 1.01480 0.0220 Uiso calc 1.000
H H26 0.24210 0.12030 0.79540 0.0280 Uiso calc 1.000
H H27 0.25560 -0.00710 0.70690 0.0290 Uiso calc 1.000
H H30 0.58650 0.08050 0.78030 0.0320 Uiso calc 1.000
H H31 0.59530 -0.03410 0.68740 0.0410 Uiso calc 1.000
H H32 0.47500 -0.13690 0.61720 0.0410 Uiso calc 1.000
H H33 0.34490 -0.11420 0.63870 0.0350 Uiso calc 1.000
H H34A 0.88270 0.18260 0.87920 0.0490 Uiso calc 1.000
H H34B 0.80980 0.07960 0.89810 0.0490 Uiso calc 1.000
H H34C 0.78780 0.23480 0.85150 0.0490 Uiso calc 1.000
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 Cu O4 . . 173.62(6) n
O2 Cu N1 . . 86.83(7) n
O2 Cu N3 . . 96.06(7) n
O2 Cu O2 . 3_657 81.69(5) n
O4 Cu N1 . . 90.67(7) n
O4 Cu N3 . . 85.87(7) n
O2 Cu O4 3_657 . 104.51(6) n
N1 Cu N3 . . 173.71(6) n
O2 Cu N1 3_657 . 98.82(6) n
O2 Cu N3 3_657 . 87.14(6) n
C3 O1 C17 . . 117.92(19) n
Cu O2 C8 . . 118.96(13) n
Cu O2 Cu . 3_657 98.31(6) n
Cu O2 C8 3_657 . 129.90(13) n
C20 O3 C34 . . 117.68(18) n
Cu O4 C25 . . 120.22(14) n
Cu N1 N2 . . 124.93(13) n
Cu N1 C1 . . 121.87(14) n
N2 N1 C1 . . 111.97(17) n
N1 N2 C7 . . 121.70(17) n
Cu N3 N4 . . 122.90(13) n
Cu N3 C18 . . 124.34(14) n
N4 N3 C18 . . 111.64(17) n
N3 N4 C24 . . 121.91(18) n
N1 C1 C2 . . 119.78(19) n
N1 C1 C6 . . 118.75(19) n
C2 C1 C6 . . 121.5(2) no
C1 C2 C3 . . 118.8(2) no
O1 C3 C2 . . 123.5(2) n
O1 C3 C4 . . 116.4(2) n
C2 C3 C4 . . 120.1(2) no
C3 C4 C5 . . 120.3(2) no
C4 C5 C6 . . 120.7(2) no
C1 C6 C5 . . 118.7(2) no
N2 C7 C8 . . 124.5(2) n
N2 C7 C12 . . 114.30(19) n
C8 C7 C12 . . 121.2(2) no
O2 C8 C7 . . 123.5(2) n
O2 C8 C9 . . 119.14(19) n
C7 C8 C9 . . 117.3(2) no
C8 C9 C10 . . 121.6(2) no
C9 C10 C11 . . 122.3(2) no
C10 C11 C12 . . 118.5(2) no
C10 C11 C16 . . 122.0(2) no
C12 C11 C16 . . 119.5(2) no
C7 C12 C11 . . 118.9(2) no
C7 C12 C13 . . 123.0(2) no
C11 C12 C13 . . 118.1(2) no
C12 C13 C14 . . 120.8(2) no
C13 C14 C15 . . 120.6(3) no
C14 C15 C16 . . 120.0(3) no
C11 C16 C15 . . 121.0(2) no
N3 C18 C19 . . 120.37(19) n
N3 C18 C23 . . 118.57(19) n
C19 C18 C23 . . 121.1(2) no
C18 C19 C20 . . 119.0(2) no
O3 C20 C19 . . 123.6(2) n
O3 C20 C21 . . 116.0(2) n
C19 C20 C21 . . 120.4(2) no
C20 C21 C22 . . 120.1(2) no
C21 C22 C23 . . 120.7(2) no
C18 C23 C22 . . 118.8(2) no
N4 C24 C25 . . 123.76(19) n
N4 C24 C29 . . 115.09(19) n
C25 C24 C29 . . 120.95(19) no
O4 C25 C24 . . 123.49(19) n
O4 C25 C26 . . 118.72(19) n
C24 C25 C26 . . 117.77(19) no
C25 C26 C27 . . 121.3(2) no
C26 C27 C28 . . 122.0(2) no
C27 C28 C29 . . 118.7(2) no
C27 C28 C33 . . 121.8(2) no
C29 C28 C33 . . 119.5(2) no
C24 C29 C28 . . 119.0(2) no
C24 C29 C30 . . 122.6(2) no
C28 C29 C30 . . 118.4(2) no
C29 C30 C31 . . 120.7(2) no
C30 C31 C32 . . 121.0(2) no
C31 C32 C33 . . 119.8(2) no
C28 C33 C32 . . 120.7(2) no
C1 C2 H6 . . 121.00 no
C3 C2 H6 . . 121.00 no
C3 C4 H4 . . 120.00 no
C5 C4 H4 . . 120.00 no
C4 C5 H3 . . 120.00 no
C6 C5 H3 . . 120.00 no
C1 C6 H2 . . 121.00 no
C5 C6 H2 . . 121.00 no
C8 C9 H9 . . 119.00 no
C10 C9 H9 . . 119.00 no
C9 C10 H10 . . 119.00 no
C11 C10 H10 . . 119.00 no
C12 C13 H13 . . 120.00 no
C14 C13 H13 . . 120.00 no
C13 C14 H14 . . 120.00 no
C15 C14 H14 . . 120.00 no
C14 C15 H15 . . 120.00 no
C16 C15 H15 . . 120.00 no
C11 C16 H16 . . 119.00 no
C15 C16 H16 . . 120.00 no
O1 C17 H17A . . 109.00 no
O1 C17 H17B . . 109.00 no
O1 C17 H17C . . 109.00 no
H17A C17 H17B . . 110.00 no
H17A C17 H17C . . 109.00 no
H17B C17 H17C . . 109.00 no
C18 C19 H19 . . 120.00 no
C20 C19 H19 . . 120.00 no
C20 C21 H21 . . 120.00 no
C22 C21 H21 . . 120.00 no
C21 C22 H22 . . 120.00 no
C23 C22 H22 . . 120.00 no
C18 C23 H23 . . 121.00 no
C22 C23 H23 . . 121.00 no
C25 C26 H26 . . 119.00 no
C27 C26 H26 . . 119.00 no
C26 C27 H27 . . 119.00 no
C28 C27 H27 . . 119.00 no
C29 C30 H30 . . 120.00 no
C31 C30 H30 . . 120.00 no
C30 C31 H31 . . 120.00 no
C32 C31 H31 . . 120.00 no
C31 C32 H32 . . 120.00 no
C33 C32 H32 . . 120.00 no
C28 C33 H33 . . 120.00 no
C32 C33 H33 . . 120.00 no
O3 C34 H34A . . 109.00 no
O3 C34 H34B . . 109.00 no
O3 C34 H34C . . 109.00 no
H34A C34 H34B . . 110.00 no
H34A C34 H34C . . 109.00 no
H34B C34 H34C . . 110.00 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu O2 . 1.929(2) n
Cu O4 . 1.908(2) n
Cu N1 . 2.026(2) n
Cu N3 . 2.033(2) n
Cu O2 3_657 2.494(2) n
O1 C3 . 1.370(3) n
O1 C17 . 1.418(3) n
O2 C8 . 1.307(3) n
O3 C20 . 1.370(3) n
O3 C34 . 1.420(3) n
O4 C25 . 1.292(3) n
N1 N2 . 1.277(3) n
N1 C1 . 1.440(3) n
N2 C7 . 1.371(3) n
N3 N4 . 1.280(3) n
N3 C18 . 1.441(3) n
N4 C24 . 1.370(3) n
C1 C2 . 1.400(3) no
C1 C6 . 1.381(3) no
C2 C3 . 1.386(3) no
C3 C4 . 1.389(3) no
C4 C5 . 1.378(4) no
C5 C6 . 1.391(4) no
C7 C8 . 1.415(3) no
C7 C12 . 1.447(3) no
C8 C9 . 1.432(3) no
C9 C10 . 1.356(3) no
C10 C11 . 1.420(3) no
C11 C12 . 1.416(3) no
C11 C16 . 1.412(3) no
C12 C13 . 1.413(4) no
C13 C14 . 1.375(4) no
C14 C15 . 1.398(4) no
C15 C16 . 1.360(4) no
C18 C19 . 1.391(3) no
C18 C23 . 1.388(3) no
C19 C20 . 1.391(3) no
C20 C21 . 1.386(3) no
C21 C22 . 1.376(3) no
C22 C23 . 1.395(3) no
C24 C25 . 1.413(3) no
C24 C29 . 1.446(3) no
C25 C26 . 1.437(3) no
C26 C27 . 1.358(3) no
C27 C28 . 1.424(3) no
C28 C29 . 1.418(3) no
C28 C33 . 1.415(3) no
C29 C30 . 1.407(3) no
C30 C31 . 1.372(4) no
C31 C32 . 1.399(4) no
C32 C33 . 1.363(4) no
C2 H6 . 0.9300 no
C4 H4 . 0.9300 no
C5 H3 . 0.9300 no
C6 H2 . 0.9300 no
C9 H9 . 0.9300 no
C10 H10 . 0.9300 no
C13 H13 . 0.9300 no
C14 H14 . 0.9300 no
C15 H15 . 0.9300 no
C16 H16 . 0.9300 no
C17 H17A . 0.9600 no
C17 H17B . 0.9600 no
C17 H17C . 0.9600 no
C19 H19 . 0.9300 no
C21 H21 . 0.9300 no
C22 H22 . 0.9300 no
C23 H23 . 0.9300 no
C26 H26 . 0.9300 no
C27 H27 . 0.9300 no
C30 H30 . 0.9300 no
C31 H31 . 0.9300 no
C32 H32 . 0.9300 no
C33 H33 . 0.9300 no
C34 H34A . 0.9600 no
C34 H34B . 0.9600 no
C34 H34C . 0.9600 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C22 H22 O4 3_667 0.93 2.45 3.267(3) 146 yes
C32 H32 O1 2_546 0.93 2.51 3.394(4) 158 yes
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_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 Cu O2 C8 . . . -45.86(15) no
N1 Cu O2 Cu . . 3_657 99.40(6) no
N3 Cu O2 C8 . . . 128.53(15) no
N3 Cu O2 Cu . . 3_657 -86.20(6) no
O2 Cu O2 C8 3_657 . . -145.26(15) no
O2 Cu O2 Cu 3_657 . 3_657 0.00(5) no
N1 Cu O4 C25 . . . -137.83(16) no
N3 Cu O4 C25 . . . 47.43(16) no
O2 Cu O4 C25 3_657 . . -38.53(16) no
O2 Cu N1 N2 . . . 34.04(15) no
O2 Cu N1 C1 . . . -159.66(15) no
O4 Cu N1 N2 . . . -140.09(15) no
O4 Cu N1 C1 . . . 26.21(15) no
O2 Cu N1 N2 3_657 . . 115.12(15) no
O2 Cu N1 C1 3_657 . . -78.58(15) no
O2 Cu N3 N4 . . . 146.18(15) no
O2 Cu N3 C18 . . . -20.73(16) no
O4 Cu N3 N4 . . . -39.93(15) no
O4 Cu N3 C18 . . . 153.17(16) no
O2 Cu N3 N4 3_657 . . 64.85(15) no
O2 Cu N3 C18 3_657 . . -102.06(16) no
O2 Cu O2 Cu . 3_657 3_657 0.00(6) no
O2 Cu O2 C8 . 3_657 3_657 -139.47(17) no
O4 Cu O2 Cu . 3_657 3_657 -178.46(6) no
O4 Cu O2 C8 . 3_657 3_657 42.07(17) no
N1 Cu O2 Cu . 3_657 3_657 -85.46(7) no
N1 Cu O2 C8 . 3_657 3_657 135.08(17) no
N3 Cu O2 Cu . 3_657 3_657 96.56(7) no
N3 Cu O2 C8 . 3_657 3_657 -42.91(17) no
C17 O1 C3 C2 . . . -5.9(3) no
C17 O1 C3 C4 . . . 175.1(2) no
Cu O2 C8 C7 . . . 38.8(3) no
Cu O2 C8 C9 . . . -142.38(17) no
Cu O2 C8 C7 3_657 . . -93.9(2) no
Cu O2 C8 C9 3_657 . . 84.9(2) no
C34 O3 C20 C19 . . . -4.5(3) no
C34 O3 C20 C21 . . . 174.8(2) no
Cu O4 C25 C24 . . . -35.0(3) no
Cu O4 C25 C26 . . . 146.85(17) no
Cu N1 N2 C7 . . . -10.0(3) no
C1 N1 N2 C7 . . . -177.49(18) no
Cu N1 C1 C2 . . . -141.16(17) no
Cu N1 C1 C6 . . . 37.2(3) no
N2 N1 C1 C2 . . . 26.8(3) no
N2 N1 C1 C6 . . . -154.92(19) no
N1 N2 C7 C8 . . . -15.3(3) no
N1 N2 C7 C12 . . . 166.09(18) no
Cu N3 N4 C24 . . . 16.2(2) no
C18 N3 N4 C24 . . . -175.38(17) no
Cu N3 C18 C19 . . . 146.59(17) no
Cu N3 C18 C23 . . . -33.5(3) no
N4 N3 C18 C19 . . . -21.6(3) no
N4 N3 C18 C23 . . . 158.35(19) no
N3 N4 C24 C25 . . . 15.1(3) no
N3 N4 C24 C29 . . . -170.09(17) no
N1 C1 C2 C3 . . . 177.8(2) no
C6 C1 C2 C3 . . . -0.5(3) no
N1 C1 C6 C5 . . . -178.8(2) no
C2 C1 C6 C5 . . . -0.5(3) no
C1 C2 C3 O1 . . . -177.9(2) no
C1 C2 C3 C4 . . . 1.1(3) no
O1 C3 C4 C5 . . . 178.4(2) no
C2 C3 C4 C5 . . . -0.7(4) no
C3 C4 C5 C6 . . . -0.4(4) no
C4 C5 C6 C1 . . . 0.9(3) no
N2 C7 C8 O2 . . . -0.1(4) no
N2 C7 C8 C9 . . . -179.0(2) no
C12 C7 C8 O2 . . . 178.4(2) no
C12 C7 C8 C9 . . . -0.5(3) no
N2 C7 C12 C11 . . . -178.1(2) no
N2 C7 C12 C13 . . . 0.5(3) no
C8 C7 C12 C11 . . . 3.2(3) no
C8 C7 C12 C13 . . . -178.1(2) no
O2 C8 C9 C10 . . . 178.6(2) no
C7 C8 C9 C10 . . . -2.4(3) no
C8 C9 C10 C11 . . . 2.6(4) no
C9 C10 C11 C12 . . . 0.4(3) no
C9 C10 C11 C16 . . . -179.2(2) no
C10 C11 C12 C7 . . . -3.2(3) no
C10 C11 C12 C13 . . . 178.1(2) no
C16 C11 C12 C7 . . . 176.4(2) no
C16 C11 C12 C13 . . . -2.3(3) no
C10 C11 C16 C15 . . . -178.7(2) no
C12 C11 C16 C15 . . . 1.8(4) no
C7 C12 C13 C14 . . . -177.6(2) no
C11 C12 C13 C14 . . . 1.0(4) no
C12 C13 C14 C15 . . . 1.0(4) no
C13 C14 C15 C16 . . . -1.6(4) no
C14 C15 C16 C11 . . . 0.2(4) no
N3 C18 C19 C20 . . . -178.9(2) no
C23 C18 C19 C20 . . . 1.1(3) no
N3 C18 C23 C22 . . . 178.8(2) no
C19 C18 C23 C22 . . . -1.3(3) no
C18 C19 C20 O3 . . . 179.4(2) no
C18 C19 C20 C21 . . . 0.1(3) no
O3 C20 C21 C22 . . . 179.5(2) no
C19 C20 C21 C22 . . . -1.1(3) no
C20 C21 C22 C23 . . . 1.0(3) no
C21 C22 C23 C18 . . . 0.2(3) no
N4 C24 C25 O4 . . . -6.0(3) no
N4 C24 C25 C26 . . . 172.24(19) no
C29 C24 C25 O4 . . . 179.5(2) no
C29 C24 C25 C26 . . . -2.3(3) no
N4 C24 C29 C28 . . . -176.91(19) no
N4 C24 C29 C30 . . . 4.1(3) no
C25 C24 C29 C28 . . . -1.9(3) no
C25 C24 C29 C30 . . . 179.0(2) no
O4 C25 C26 C27 . . . -176.6(2) no
C24 C25 C26 C27 . . . 5.1(3) no
C25 C26 C27 C28 . . . -3.5(4) no
C26 C27 C28 C29 . . . -0.9(3) no
C26 C27 C28 C33 . . . 179.5(2) no
C27 C28 C29 C24 . . . 3.6(3) no
C27 C28 C29 C30 . . . -177.4(2) no
C33 C28 C29 C24 . . . -176.9(2) no
C33 C28 C29 C30 . . . 2.2(3) no
C27 C28 C33 C32 . . . 177.1(2) no
C29 C28 C33 C32 . . . -2.5(3) no
C24 C29 C30 C31 . . . 178.9(2) no
C28 C29 C30 C31 . . . -0.1(3) no
C29 C30 C31 C32 . . . -1.7(4) no
C30 C31 C32 C33 . . . 1.5(4) no
C31 C32 C33 C28 . . . 0.7(4) no
