#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:17:17 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180006 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/00/7030058.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_7030058
loop_
_publ_author_name
'Kitchen, Jonathan A.'
'Martinho, Paulo N.'
'Morgan, Grace G.'
'Gunnlaugsson, Thorfinnur'
_publ_section_title
;
 Synthesis, crystal structure and EPR spectroscopic analysis of novel
 copper complexes formed from N-pyridyl-4-nitro-1,8-naphthalimide ligands.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6468
_journal_page_last               6479
_journal_paper_doi               10.1039/c3dt53323a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C46 H36 Cu2 N8 O16'
_chemical_formula_weight         1083.91
_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                99.75(3)
_cell_angle_beta                 94.30(3)
_cell_angle_gamma                118.30(3)
_cell_formula_units_Z            1
_cell_length_a                   8.7390(17)
_cell_length_b                   9.0880(18)
_cell_length_c                   17.536(4)
_cell_measurement_reflns_used    3098
_cell_measurement_temperature    108(2)
_cell_measurement_theta_max      30.5940
_cell_measurement_theta_min      2.6120
_cell_volume                     1189.0(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      108(2)
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Rigaku Saturn 724'
_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  0.0994
_diffrn_reflns_av_sigmaI/netI    0.1074
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7727
_diffrn_reflns_theta_full        24.49
_diffrn_reflns_theta_max         24.49
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    0.975
_exptl_absorpt_correction_T_max  0.8004
_exptl_absorpt_correction_T_min  0.7275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             554
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.998
_refine_diff_density_min         -1.211
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       0.015(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.209
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         3766
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.209
_refine_ls_R_factor_all          0.1355
_refine_ls_R_factor_gt           0.1200
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1806P)²+2.2193P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3304
_refine_ls_wR_factor_ref         0.3505
_reflns_number_gt                3259
_reflns_number_total             3766
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt53323a2.cif
_cod_data_source_block           jakoac
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        1189.0(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7030058
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 0.94926(15) 1.02789(15) 0.06723(6) 0.0540(6) Uani 1 1 d . . .
O3 O 0.4345(10) 0.6171(10) 0.2286(4) 0.075(2) Uani 1 1 d . . .
O4 O 0.9562(9) 0.9263(8) 0.4070(4) 0.0563(16) Uani 1 1 d . C .
N2 N 0.6895(10) 0.7805(9) 0.3235(4) 0.0472(17) Uani 1 1 d . C .
N3 N 0.8547(11) 1.0505(10) 0.1816(4) 0.0546(19) Uani 1 1 d . . .
C1 C 0.5287(14) 0.6240(13) 0.2876(5) 0.058(2) Uani 1 1 d . . .
C2 C 0.4840(13) 0.4760(13) 0.3246(5) 0.055(2) Uani 1 1 d . C .
C3 C 0.3317(13) 0.3190(13) 0.2889(6) 0.060(2) Uani 1 1 d . . .
H3 H 0.2612 0.3086 0.2421 0.072 Uiso 1 1 calc R . .
C4 C 0.2840(14) 0.1768(12) 0.3230(5) 0.059(2) Uani 1 1 d . C .
H4 H 0.1807 0.0708 0.2988 0.071 Uiso 1 1 calc R . .
C5 C 0.3841(12) 0.1882(12) 0.3907(5) 0.055(2) Uani 1 1 d . . .
H5 H 0.3477 0.0902 0.4124 0.065 Uiso 0.50 1 calc PR A 2
C6 C 0.5421(12) 0.3451(11) 0.4292(5) 0.049(2) Uani 1 1 d . C .
C7 C 0.6595(13) 0.3687(13) 0.4970(5) 0.055(2) Uani 1 1 d . . .
H7 H 0.6291 0.2767 0.5224 0.065 Uiso 0.50 1 calc PR B 1
C8 C 0.8174(13) 0.5223(13) 0.5272(6) 0.059(2) Uani 1 1 d . C .
H8 H 0.8935 0.5324 0.5719 0.070 Uiso 1 1 calc R . .
C9 C 0.8649(15) 0.6637(13) 0.4915(5) 0.059(2) Uani 1 1 d . . .
H9 H 0.9714 0.7691 0.5124 0.071 Uiso 1 1 calc R C .
C10 C 0.7531(13) 0.6451(12) 0.4256(5) 0.051(2) Uani 1 1 d . C .
C11 C 0.5930(12) 0.4878(11) 0.3928(4) 0.046(2) Uani 1 1 d . . .
C12 C 0.8119(13) 0.7947(13) 0.3866(5) 0.052(2) Uani 1 1 d . . .
C13 C 0.7394(11) 0.9237(11) 0.2877(5) 0.0443(19) Uani 1 1 d . . .
C14 C 0.7456(13) 1.0768(13) 0.3254(5) 0.056(2) Uani 1 1 d . C .
H14 H 0.7064 1.0852 0.3743 0.067 Uiso 1 1 calc R . .
C15 C 0.8098(13) 1.2150(12) 0.2901(5) 0.055(2) Uani 1 1 d . . .
H15 H 0.8169 1.3204 0.3143 0.066 Uiso 1 1 calc R C .
C16 C 0.8624(12) 1.1950(11) 0.2194(5) 0.049(2) Uani 1 1 d . C .
H16 H 0.9076 1.2903 0.1956 0.059 Uiso 1 1 calc R . .
C17 C 0.7948(12) 0.9140(11) 0.2151(5) 0.048(2) Uani 1 1 d . C .
H17 H 0.7904 0.8110 0.1891 0.058 Uiso 1 1 calc R . .
N1 N 0.340(2) 0.032(2) 0.4236(9) 0.057(4) Uani 0.50 1 d P C 1
O2 O 0.3408(17) 0.0463(18) 0.4963(8) 0.054(3) Uani 0.50 1 d P C 1
O1 O 0.2900(19) -0.1127(18) 0.3761(8) 0.064(3) Uani 0.50 1 d P C 1
N10 N 0.622(3) 0.241(2) 0.5393(10) 0.063(4) Uani 0.50 1 d P C 2
O11 O 0.468(2) 0.141(2) 0.5404(11) 0.074(4) Uani 0.50 1 d P C 2
O10 O 0.749(3) 0.232(2) 0.5716(10) 0.091(5) Uani 0.50 1 d P C 2
O61 O 0.8371(10) 0.7729(8) 0.0503(4) 0.067(2) Uani 1 1 d . . .
C61 C 0.8424(16) 0.6703(15) -0.0096(6) 0.069(3) Uani 1 1 d . . .
C62 C 0.7382(19) 0.4782(15) -0.0146(7) 0.090(4) Uani 1 1 d . . .
H62A H 0.8192 0.4319 -0.0140 0.107 Uiso 1 1 calc R . .
H62B H 0.6512 0.4209 -0.0635 0.107 Uiso 1 1 calc R . .
H62C H 0.6773 0.4580 0.0304 0.107 Uiso 1 1 calc R . .
C63 C 0.7118(16) 0.9556(16) -0.0753(6) 0.072(3) Uani 1 1 d . . .
C64 C 0.5322(17) 0.912(2) -0.1163(8) 0.093(4) Uani 1 1 d . . .
H64A H 0.5438 0.9514 -0.1653 0.111 Uiso 1 1 calc R . .
H64B H 0.4829 0.9690 -0.0820 0.111 Uiso 1 1 calc R . .
H64C H 0.4535 0.7873 -0.1282 0.111 Uiso 1 1 calc R . .
O51 O 1.1765(9) 1.0544(9) 0.1147(3) 0.0594(17) Uani 1 1 d . . .
O41 O 1.0749(10) 1.2765(9) 0.0659(4) 0.0675(19) Uani 1 1 d . . .
O71 O 0.7340(9) 0.9879(11) 0.0016(4) 0.071(2) Uani 1 1 d . . .
C100 C -0.0221(19) 0.6350(17) 0.2233(8) 0.079(3) Uani 1 1 d D . .
N100 N -0.150(2) 0.5706(16) 0.2448(8) 0.104(4) Uani 1 1 d . D .
C101 C 0.115(3) 0.687(3) 0.1762(12) 0.079(5) Uiso 0.65 1 d P D 1
H10A H 0.0744 0.7099 0.1283 0.095 Uiso 0.65 1 calc PR D 1
H10B H 0.1439 0.5950 0.1619 0.095 Uiso 0.65 1 calc PR D 1
H10C H 0.2211 0.7915 0.2065 0.095 Uiso 0.65 1 calc PR D 1
C110 C 0.159(3) 0.756(5) 0.216(3) 0.099(12) Uiso 0.35 1 d PD D 2
H11A H 0.2213 0.8389 0.2669 0.119 Uiso 0.35 1 calc PR D 2
H11B H 0.1560 0.8181 0.1760 0.119 Uiso 0.35 1 calc PR D 2
H11C H 0.2215 0.6932 0.2013 0.119 Uiso 0.35 1 calc PR D 2
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
O71 Cu1 O51 169.5(2) . . y
O71 Cu1 O41 91.8(3) . . y
O51 Cu1 O41 89.0(3) . . y
O71 Cu1 O61 87.1(3) . . y
O51 Cu1 O61 90.2(3) . . y
O41 Cu1 O61 169.8(3) . . y
O71 Cu1 N3 95.4(3) . . y
O51 Cu1 N3 94.9(3) . . y
O41 Cu1 N3 98.3(3) . . y
O61 Cu1 N3 91.9(3) . . y
O71 Cu1 Cu1 85.25(19) . 2_775 y
O51 Cu1 Cu1 84.32(18) . 2_775 y
O41 Cu1 Cu1 86.8(2) . 2_775 y
O61 Cu1 Cu1 83.02(19) . 2_775 y
N3 Cu1 Cu1 174.8(2) . 2_775 y
C12 N2 C13 118.1(7) . . ?
C12 N2 C1 123.5(8) . . ?
C13 N2 C1 117.9(7) . . ?
C16 N3 C17 119.1(8) . . ?
C16 N3 Cu1 122.6(6) . . ?
C17 N3 Cu1 118.2(5) . . ?
O3 C1 N2 120.1(9) . . ?
O3 C1 C2 123.4(10) . . ?
N2 C1 C2 116.6(8) . . ?
C3 C2 C11 119.7(9) . . ?
C3 C2 C1 118.0(9) . . ?
C11 C2 C1 122.3(9) . . ?
C2 C3 C4 119.5(9) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 121.5(9) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 C6 121.4(9) . . ?
C4 C5 N1 121.2(10) . . ?
C6 C5 N1 117.3(10) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
N1 C5 H5 4.9 . . ?
C7 C6 C11 117.0(8) . . ?
C7 C6 C5 126.0(8) . . ?
C11 C6 C5 116.9(8) . . ?
C8 C7 N10 115.3(11) . . ?
C8 C7 C6 122.3(9) . . ?
N10 C7 C6 122.4(12) . . ?
C8 C7 H7 118.9 . . ?
N10 C7 H7 3.8 . . ?
C6 C7 H7 118.9 . . ?
C7 C8 C9 120.3(9) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C10 C9 C8 118.9(9) . . ?
C10 C9 H9 120.6 . . ?
C8 C9 H9 120.6 . . ?
C9 C10 C11 121.6(9) . . ?
C9 C10 C12 117.5(9) . . ?
C11 C10 C12 120.7(8) . . ?
C10 C11 C2 119.0(8) . . ?
C10 C11 C6 120.0(7) . . ?
C2 C11 C6 121.0(8) . . ?
O4 C12 N2 119.1(8) . . ?
O4 C12 C10 123.8(8) . . ?
N2 C12 C10 117.1(9) . . ?
C17 C13 C14 119.3(8) . . ?
C17 C13 N2 118.3(7) . . ?
C14 C13 N2 122.3(8) . . ?
C15 C14 C13 118.9(8) . . ?
C15 C14 H14 120.6 . . ?
C13 C14 H14 120.6 . . ?
C16 C15 C14 118.0(8) . . ?
C16 C15 H15 121.0 . . ?
C14 C15 H15 121.0 . . ?
N3 C16 C15 124.4(8) . . ?
N3 C16 H16 117.8 . . ?
C15 C16 H16 117.8 . . ?
N3 C17 C13 120.4(7) . . ?
N3 C17 H17 119.8 . . ?
C13 C17 H17 119.8 . . ?
O2 N1 O1 122.5(15) . . ?
O2 N1 C5 118.2(14) . . ?
O1 N1 C5 119.1(13) . . ?
O11 N10 O10 123.8(18) . . ?
O11 N10 C7 118.3(16) . . ?
O10 N10 C7 117.8(18) . . ?
C61 O61 Cu1 125.5(7) . . ?
O41 C61 O61 123.2(10) 2_775 . ?
O41 C61 C62 119.1(9) 2_775 . ?
O61 C61 C62 117.6(10) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
O51 C63 O71 124.1(9) 2_775 . ?
O51 C63 C64 120.5(9) 2_775 . ?
O71 C63 C64 115.2(10) . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 O51 Cu1 123.9(6) 2_775 . ?
C61 O41 Cu1 121.5(7) 2_775 . ?
C63 O71 Cu1 122.4(7) . . ?
N100 C100 C101 164.9(18) . . ?
N100 C100 C110 163(2) . . ?
C101 C100 C110 31.3(18) . . ?
C100 C101 H10A 109.5 . . ?
C100 C101 H10B 109.5 . . ?
C100 C101 H10C 109.5 . . ?
C100 C110 H11A 109.5 . . ?
C100 C110 H11B 109.5 . . ?
H11A C110 H11B 109.5 . . ?
C100 C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 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 O71 1.970(7) . y
Cu1 O51 1.981(6) . y
Cu1 O41 1.996(7) . y
Cu1 O61 1.997(7) . y
Cu1 N3 2.240(8) . y
Cu1 Cu1 2.634(2) 2_775 y
O3 C1 1.246(11) . ?
O4 C12 1.227(12) . ?
N2 C12 1.424(11) . ?
N2 C13 1.435(11) . ?
N2 C1 1.436(13) . ?
N3 C16 1.335(11) . ?
N3 C17 1.355(11) . ?
C1 C2 1.489(14) . ?
C2 C3 1.404(14) . ?
C2 C11 1.429(12) . ?
C3 C4 1.411(14) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.436(13) . ?
C5 N1 1.516(17) . ?
C5 H5 0.9500 . ?
C6 C7 1.426(12) . ?
C6 C11 1.436(12) . ?
C7 C8 1.396(14) . ?
C7 N10 1.408(19) . ?
C7 H7 0.9500 . ?
C8 C9 1.422(13) . ?
C8 H8 0.9500 . ?
C9 C10 1.388(13) . ?
C9 H9 0.9500 . ?
C10 C11 1.427(13) . ?
C10 C12 1.512(13) . ?
C13 C17 1.398(12) . ?
C13 C14 1.411(12) . ?
C14 C15 1.387(14) . ?
C14 H14 0.9500 . ?
C15 C16 1.367(13) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
N1 O2 1.258(19) . ?
N1 O1 1.28(2) . ?
N10 O11 1.22(2) . ?
N10 O10 1.25(2) . ?
O61 C61 1.301(12) . ?
C61 O41 1.291(13) 2_775 ?
C61 C62 1.521(15) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 O51 1.266(12) 2_775 ?
C63 O71 1.309(12) . ?
C63 C64 1.511(15) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
O51 C63 1.266(12) 2_775 ?
O41 C61 1.291(13) 2_775 ?
C100 N100 1.119(16) . ?
C100 C101 1.45(2) . ?
C100 C110 1.470(10) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 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_4
O71 Cu1 N3 C16 -81.0(7) . .
O51 Cu1 N3 C16 101.3(7) . .
O41 Cu1 N3 C16 11.6(7) . .
O61 Cu1 N3 C16 -168.3(7) . .
Cu1 Cu1 N3 C16 -177.6(18) 2_775 .
O71 Cu1 N3 C17 102.0(7) . .
O51 Cu1 N3 C17 -75.7(7) . .
O41 Cu1 N3 C17 -165.4(7) . .
O61 Cu1 N3 C17 14.7(7) . .
Cu1 Cu1 N3 C17 5(3) 2_775 .
C12 N2 C1 O3 -174.4(8) . .
C13 N2 C1 O3 -2.2(13) . .
C12 N2 C1 C2 5.8(12) . .
C13 N2 C1 C2 177.9(7) . .
O3 C1 C2 C3 2.9(14) . .
N2 C1 C2 C3 -177.3(8) . .
O3 C1 C2 C11 -179.1(9) . .
N2 C1 C2 C11 0.7(13) . .
C11 C2 C3 C4 2.8(14) . .
C1 C2 C3 C4 -179.1(8) . .
C2 C3 C4 C5 -0.2(15) . .
C3 C4 C5 C6 -0.5(15) . .
C3 C4 C5 N1 -175.3(10) . .
C4 C5 C6 C7 -176.8(9) . .
N1 C5 C6 C7 -1.8(14) . .
C4 C5 C6 C11 -1.4(13) . .
N1 C5 C6 C11 173.6(9) . .
C11 C6 C7 C8 -0.3(13) . .
C5 C6 C7 C8 175.1(8) . .
C11 C6 C7 N10 178.0(11) . .
C5 C6 C7 N10 -6.6(16) . .
N10 C7 C8 C9 -177.0(10) . .
C6 C7 C8 C9 1.3(14) . .
C7 C8 C9 C10 -1.0(13) . .
C8 C9 C10 C11 -0.3(13) . .
C8 C9 C10 C12 -177.0(8) . .
C9 C10 C11 C2 -179.5(8) . .
C12 C10 C11 C2 -3.0(12) . .
C9 C10 C11 C6 1.4(13) . .
C12 C10 C11 C6 177.9(7) . .
C3 C2 C11 C10 176.1(8) . .
C1 C2 C11 C10 -1.9(13) . .
C3 C2 C11 C6 -4.8(13) . .
C1 C2 C11 C6 177.2(8) . .
C7 C6 C11 C10 -1.1(12) . .
C5 C6 C11 C10 -176.9(8) . .
C7 C6 C11 C2 179.9(8) . .
C5 C6 C11 C2 4.1(12) . .
C13 N2 C12 O4 -1.5(11) . .
C1 N2 C12 O4 170.6(8) . .
C13 N2 C12 C10 177.5(7) . .
C1 N2 C12 C10 -10.4(11) . .
C9 C10 C12 O4 4.5(13) . .
C11 C10 C12 O4 -172.2(8) . .
C9 C10 C12 N2 -174.4(8) . .
C11 C10 C12 N2 8.9(11) . .
C12 N2 C13 C17 102.5(9) . .
C1 N2 C13 C17 -70.0(10) . .
C12 N2 C13 C14 -73.2(11) . .
C1 N2 C13 C14 114.2(9) . .
C17 C13 C14 C15 -1.2(13) . .
N2 C13 C14 C15 174.4(8) . .
C13 C14 C15 C16 0.7(14) . .
C17 N3 C16 C15 -1.5(14) . .
Cu1 N3 C16 C15 -178.5(7) . .
C14 C15 C16 N3 0.7(14) . .
C16 N3 C17 C13 0.9(13) . .
Cu1 N3 C17 C13 178.0(6) . .
C14 C13 C17 N3 0.4(13) . .
N2 C13 C17 N3 -175.4(8) . .
C4 C5 N1 O2 -134.7(14) . .
C6 C5 N1 O2 50.3(17) . .
C4 C5 N1 O1 40(2) . .
C6 C5 N1 O1 -135.2(14) . .
C8 C7 N10 O11 148.3(15) . .
C6 C7 N10 O11 -30(2) . .
C8 C7 N10 O10 -34(2) . .
C6 C7 N10 O10 148.0(15) . .
O71 Cu1 O61 C61 85.3(9) . .
O51 Cu1 O61 C61 -84.5(9) . .
O41 Cu1 O61 C61 1(2) . .
N3 Cu1 O61 C61 -179.4(9) . .
Cu1 Cu1 O61 C61 -0.3(9) 2_775 .
Cu1 O61 C61 O41 1.0(17) . 2_775
Cu1 O61 C61 C62 -176.1(8) . .
O71 Cu1 O51 C63 10(2) . 2_775
O41 Cu1 O51 C63 -85.0(9) . 2_775
O61 Cu1 O51 C63 84.8(9) . 2_775
N3 Cu1 O51 C63 176.7(9) . 2_775
Cu1 Cu1 O51 C63 1.9(9) 2_775 2_775
O71 Cu1 O41 C61 -86.0(9) . 2_775
O51 Cu1 O41 C61 83.5(9) . 2_775
O61 Cu1 O41 C61 -2(2) . 2_775
N3 Cu1 O41 C61 178.3(8) . 2_775
Cu1 Cu1 O41 C61 -0.8(8) 2_775 2_775
O51 C63 O71 Cu1 0.6(17) 2_775 .
C64 C63 O71 Cu1 174.5(8) . .
O51 Cu1 O71 C63 -9(2) . .
O41 Cu1 O71 C63 85.1(9) . .
O61 Cu1 O71 C63 -84.7(9) . .
N3 Cu1 O71 C63 -176.3(9) . .
Cu1 Cu1 O71 C63 -1.5(9) 2_775 .
