#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/47/7014785.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_7014785
loop_
_publ_author_name
'Zhu, Qin-Yu'
'Wang, Jin-Po'
'Qin, Yu-Rong'
'Shi, Zheng'
'Han, Qiong-Hua'
'Bian, Guo-Qing'
'Dai, Jie'
_publ_section_title
;
 Metal-carboxylate coordination polymers with redox-active moiety of
 tetrathiafulvalene (TTF).
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1977
_journal_page_last               1983
_journal_paper_doi               10.1039/c0dt01152e
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C20 H14 Cu N2 O4 S6'
_chemical_formula_weight         602.23
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.260(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.276(5)
_cell_length_b                   8.8492(11)
_cell_length_c                   19.470(3)
_cell_measurement_reflns_used    9465
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     4792.4(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0693
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11224
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    1.466
_exptl_absorpt_correction_T_max  0.889
_exptl_absorpt_correction_T_min  0.768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             2440
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.010
_refine_diff_density_min         -1.964
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         4192
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.1032
_refine_ls_R_factor_gt           0.0824
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0742P)²+39.0263P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1831
_refine_ls_wR_factor_ref         0.1968
_reflns_number_gt                3395
_reflns_number_total             4192
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01152E.TXT
_cod_data_source_block           l
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7014785
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.20799(3) 0.29909(9) 0.25520(4) 0.0322(3) Uani 1 1 d . . .
S1 S 0.37847(6) 0.3977(2) 0.42402(10) 0.0387(5) Uani 1 1 d . . .
S2 S 0.40958(7) 0.6897(2) 0.50177(11) 0.0451(5) Uani 1 1 d . . .
S3 S 0.47283(8) 0.2360(3) 0.53870(13) 0.0598(7) Uani 1 1 d U . .
S4 S 0.50941(7) 0.5244(2) 0.61672(11) 0.0454(5) Uani 1 1 d U . .
S5 S 0.5514(2) 0.0554(7) 0.6589(3) 0.0658(15) Uiso 0.50 1 d PU . .
S5' S 0.55893(17) 0.0591(5) 0.6338(3) 0.0515(11) Uiso 0.50 1 d P . .
S6 S 0.59599(7) 0.3806(3) 0.73471(12) 0.0514(6) Uani 1 1 d U . .
O1 O 0.28382(17) 0.3792(5) 0.3210(3) 0.0400(12) Uani 1 1 d . . .
O2 O 0.27328(16) 0.6083(5) 0.2712(3) 0.0376(12) Uani 1 1 d . . .
O3 O 0.3443(3) 0.9267(7) 0.4615(3) 0.079(2) Uani 1 1 d . . .
O4 O 0.30388(18) 0.8818(6) 0.3412(3) 0.0396(12) Uani 1 1 d . . .
N1 N 0.20629(19) 0.2153(6) 0.3496(3) 0.0328(13) Uani 1 1 d . . .
N2 N 0.1783(2) 0.4735(6) 0.2850(3) 0.0341(13) Uani 1 1 d . . .
C1 C 0.3426(2) 0.5565(8) 0.3852(4) 0.0305(15) Uani 1 1 d . . .
C2 C 0.3567(2) 0.6908(8) 0.4195(4) 0.0335(15) Uani 1 1 d . . .
C3 C 0.4229(2) 0.4972(8) 0.4961(4) 0.0355(16) Uani 1 1 d . . .
C4 C 0.4621(3) 0.4306(11) 0.5444(5) 0.0638(11) Uani 1 1 d U . .
C5 C 0.5262(3) 0.2304(11) 0.6206(5) 0.0638(11) Uani 1 1 d U . .
C6 C 0.5423(3) 0.3602(11) 0.6553(5) 0.0638(11) Uani 1 1 d U . .
C7 C 0.5098(3) -0.0626(10) 0.6403(5) 0.0638(11) Uani 1 1 d U . .
H7A H 0.4913 -0.0412 0.6699 0.096 Uiso 1 1 calc R . .
H7B H 0.5234 -0.1634 0.6517 0.096 Uiso 1 1 calc R . .
H7C H 0.4891 -0.0563 0.5876 0.096 Uiso 1 1 calc R . .
C8 C 0.5743(3) 0.3829(11) 0.8067(5) 0.0638(11) Uani 1 1 d . . .
H8A H 0.5482 0.4550 0.7944 0.096 Uiso 1 1 calc R . .
H8B H 0.6001 0.4120 0.8534 0.096 Uiso 1 1 calc R . .
H8C H 0.5628 0.2830 0.8119 0.096 Uiso 1 1 calc R . .
C9 C 0.2964(2) 0.5132(8) 0.3207(3) 0.0311(15) Uani 1 1 d . . .
C10 C 0.3327(3) 0.8443(9) 0.4052(4) 0.0419(18) Uani 1 1 d . . .
C11 C 0.2235(3) 0.0786(9) 0.3791(4) 0.0423(18) Uani 1 1 d . . .
H11 H 0.2374 0.0152 0.3543 0.051 Uiso 1 1 calc R . .
C12 C 0.2211(3) 0.0302(10) 0.4453(4) 0.047(2) Uani 1 1 d . . .
H12 H 0.2333 -0.0647 0.4656 0.057 Uiso 1 1 calc R . .
C13 C 0.2004(3) 0.1247(10) 0.4806(4) 0.052(2) Uani 1 1 d . . .
H13 H 0.1984 0.0933 0.5254 0.062 Uiso 1 1 calc R . .
C14 C 0.1827(3) 0.2633(10) 0.4514(4) 0.0456(19) Uani 1 1 d . . .
H14 H 0.1687 0.3278 0.4756 0.055 Uiso 1 1 calc R . .
C15 C 0.1862(2) 0.3060(8) 0.3844(4) 0.0343(16) Uani 1 1 d . . .
C16 C 0.1658(3) 0.6053(8) 0.2488(5) 0.0443(19) Uani 1 1 d . . .
H16 H 0.1720 0.6190 0.2055 0.053 Uiso 1 1 calc R . .
C17 C 0.1445(3) 0.7218(9) 0.2711(5) 0.055(2) Uani 1 1 d . . .
H17 H 0.1363 0.8131 0.2444 0.066 Uiso 1 1 calc R . .
C18 C 0.1356(4) 0.6985(10) 0.3350(6) 0.065(3) Uani 1 1 d . . .
H18 H 0.1205 0.7744 0.3516 0.078 Uiso 1 1 calc R . .
C19 C 0.1486(3) 0.5670(10) 0.3737(5) 0.056(2) Uani 1 1 d . . .
H19 H 0.1433 0.5522 0.4177 0.067 Uiso 1 1 calc R . .
C20 C 0.1698(3) 0.4547(9) 0.3469(4) 0.0396(17) 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'
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'
S S 0.1246 0.1234 '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
O4 Cu1 O2 92.0(2) 4_545 4_545 ?
O4 Cu1 N2 93.3(2) 4_545 . ?
O2 Cu1 N2 168.7(2) 4_545 . ?
O4 Cu1 N1 168.6(2) 4_545 . ?
O2 Cu1 N1 92.2(2) 4_545 . ?
N2 Cu1 N1 80.8(2) . . ?
O4 Cu1 O1 101.04(19) 4_545 . ?
O2 Cu1 O1 94.97(19) 4_545 . ?
N2 Cu1 O1 93.8(2) . . ?
N1 Cu1 O1 89.1(2) . . ?
C3 S1 C1 95.2(3) . . ?
C2 S2 C3 95.5(3) . . ?
C4 S3 C5 95.5(4) . . ?
C6 S4 C4 95.5(4) . . ?
C7 S5 C5 108.4(6) . . ?
C6 S6 C8 101.3(5) . . ?
C9 O1 Cu1 122.8(4) . . ?
C9 O2 Cu1 131.2(4) . 4 ?
C10 O4 Cu1 131.5(5) . 4 ?
C15 N1 C11 119.8(6) . . ?
C15 N1 Cu1 115.1(5) . . ?
C11 N1 Cu1 125.1(5) . . ?
C16 N2 C20 117.9(7) . . ?
C16 N2 Cu1 126.2(5) . . ?
C20 N2 Cu1 115.9(5) . . ?
C2 C1 C9 129.9(6) . . ?
C2 C1 S1 118.2(5) . . ?
C9 C1 S1 111.5(5) . . ?
C1 C2 C10 131.7(6) . . ?
C1 C2 S2 116.2(5) . . ?
C10 C2 S2 111.7(5) . . ?
C4 C3 S1 122.3(7) . . ?
C4 C3 S2 123.2(6) . . ?
S1 C3 S2 114.5(4) . . ?
C3 C4 S3 121.6(7) . . ?
C3 C4 S4 124.9(7) . . ?
S3 C4 S4 113.4(5) . . ?
C6 C5 S5 122.5(8) . . ?
C6 C5 S3 117.3(7) . . ?
S5 C5 S3 119.8(6) . . ?
C6 C5 S5' 126.5(8) . . ?
S5 C5 S5' 20.1(2) . . ?
S3 C5 S5' 114.5(6) . . ?
C5 C6 S4 117.8(7) . . ?
C5 C6 S6 124.5(8) . . ?
S4 C6 S6 117.6(6) . . ?
S5 C7 H7A 109.5 . . ?
S5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
S5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
S6 C8 H8A 109.5 . . ?
S6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
S6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O1 C9 O2 123.9(6) . . ?
O1 C9 C1 115.0(6) . . ?
O2 C9 C1 121.1(6) . . ?
O3 C10 O4 124.4(7) . . ?
O3 C10 C2 114.5(6) . . ?
O4 C10 C2 121.1(6) . . ?
N1 C11 C12 121.2(7) . . ?
N1 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C13 C12 C11 118.5(7) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
C14 C13 C12 121.0(7) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C13 C14 C15 117.9(8) . . ?
C13 C14 H14 121.1 . . ?
C15 C14 H14 121.1 . . ?
N1 C15 C14 121.6(7) . . ?
N1 C15 C20 114.2(6) . . ?
C14 C15 C20 124.1(7) . . ?
N2 C16 C17 123.9(8) . . ?
N2 C16 H16 118.1 . . ?
C17 C16 H16 118.1 . . ?
C16 C17 C18 117.0(8) . . ?
C16 C17 H17 121.5 . . ?
C18 C17 H17 121.5 . . ?
C19 C18 C17 120.6(8) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C20 118.6(8) . . ?
C18 C19 H19 120.7 . . ?
C20 C19 H19 120.7 . . ?
N2 C20 C19 122.0(7) . . ?
N2 C20 C15 113.9(6) . . ?
C19 C20 C15 124.1(7) . . ?
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 O4 1.912(5) 4_545 ?
Cu1 O2 1.915(5) 4_545 ?
Cu1 N2 1.984(6) . ?
Cu1 N1 2.001(6) . ?
Cu1 O1 2.256(5) . ?
S1 C3 1.750(7) . ?
S1 C1 1.754(7) . ?
S2 C2 1.762(7) . ?
S2 C3 1.763(7) . ?
S3 C4 1.764(10) . ?
S3 C5 1.767(9) . ?
S4 C6 1.754(9) . ?
S4 C4 1.769(10) . ?
S5 C7 1.562(10) . ?
S5 C5 1.758(11) . ?
S5' C5 1.774(11) . ?
S6 C6 1.754(9) . ?
S6 C8 1.767(10) . ?
O1 C9 1.245(8) . ?
O2 C9 1.264(8) . ?
O2 Cu1 1.915(5) 4 ?
O3 C10 1.246(9) . ?
O4 C10 1.250(8) . ?
O4 Cu1 1.912(5) 4 ?
N1 C15 1.341(9) . ?
N1 C11 1.353(9) . ?
N2 C16 1.338(9) . ?
N2 C20 1.339(9) . ?
C1 C2 1.347(9) . ?
C1 C9 1.514(9) . ?
C2 C10 1.514(10) . ?
C3 C4 1.327(11) . ?
C5 C6 1.324(13) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 H7C 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C11 C12 1.387(10) . ?
C11 H11 0.9400 . ?
C12 C13 1.381(12) . ?
C12 H12 0.9400 . ?
C13 C14 1.369(12) . ?
C13 H13 0.9400 . ?
C14 C15 1.402(10) . ?
C14 H14 0.9400 . ?
C15 C20 1.491(10) . ?
C16 C17 1.375(11) . ?
C16 H16 0.9400 . ?
C17 C18 1.388(13) . ?
C17 H17 0.9400 . ?
C18 C19 1.356(12) . ?
C18 H18 0.9400 . ?
C19 C20 1.392(11) . ?
C19 H19 0.9400 . ?
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
O4 Cu1 O1 C9 49.8(6) 4_545 . . . ?
O2 Cu1 O1 C9 142.8(5) 4_545 . . . ?
N2 Cu1 O1 C9 -44.3(5) . . . . ?
N1 Cu1 O1 C9 -125.1(5) . . . . ?
O4 Cu1 N1 C15 -57.7(13) 4_545 . . . ?
O2 Cu1 N1 C15 -169.0(5) 4_545 . . . ?
N2 Cu1 N1 C15 2.1(5) . . . . ?
O1 Cu1 N1 C15 96.0(5) . . . . ?
O4 Cu1 N1 C11 122.4(11) 4_545 . . . ?
O2 Cu1 N1 C11 11.0(6) 4_545 . . . ?
N2 Cu1 N1 C11 -177.9(6) . . . . ?
O1 Cu1 N1 C11 -83.9(6) . . . . ?
O4 Cu1 N2 C16 -11.4(6) 4_545 . . . ?
O2 Cu1 N2 C16 -129.3(10) 4_545 . . . ?
N1 Cu1 N2 C16 178.4(6) . . . . ?
O1 Cu1 N2 C16 89.9(6) . . . . ?
O4 Cu1 N2 C20 167.8(5) 4_545 . . . ?
O2 Cu1 N2 C20 49.9(13) 4_545 . . . ?
N1 Cu1 N2 C20 -2.4(5) . . . . ?
O1 Cu1 N2 C20 -90.9(5) . . . . ?
C3 S1 C1 C2 -2.5(6) . . . . ?
C3 S1 C1 C9 -176.2(5) . . . . ?
C9 C1 C2 C10 -1.7(13) . . . . ?
S1 C1 C2 C10 -174.1(6) . . . . ?
C9 C1 C2 S2 171.0(5) . . . . ?
S1 C1 C2 S2 -1.5(8) . . . . ?
C3 S2 C2 C1 4.5(6) . . . . ?
C3 S2 C2 C10 178.7(5) . . . . ?
C1 S1 C3 C4 -177.6(8) . . . . ?
C1 S1 C3 S2 5.5(5) . . . . ?
C2 S2 C3 C4 177.0(8) . . . . ?
C2 S2 C3 S1 -6.1(5) . . . . ?
S1 C3 C4 S3 0.8(12) . . . . ?
S2 C3 C4 S3 177.5(5) . . . . ?
S1 C3 C4 S4 177.8(5) . . . . ?
S2 C3 C4 S4 -5.5(12) . . . . ?
C5 S3 C4 C3 -176.1(9) . . . . ?
C5 S3 C4 S4 6.5(7) . . . . ?
C6 S4 C4 C3 176.2(9) . . . . ?
C6 S4 C4 S3 -6.6(7) . . . . ?
C7 S5 C5 C6 141.9(10) . . . . ?
C7 S5 C5 S3 -30.0(9) . . . . ?
C7 S5 C5 S5' -110.0(10) . . . . ?
C4 S3 C5 C6 -4.0(10) . . . . ?
C4 S3 C5 S5 168.3(7) . . . . ?
C4 S3 C5 S5' -169.9(6) . . . . ?
S5 C5 C6 S4 -172.1(6) . . . . ?
S3 C5 C6 S4 -0.1(13) . . . . ?
S5' C5 C6 S4 163.9(6) . . . . ?
S5 C5 C6 S6 11.1(15) . . . . ?
S3 C5 C6 S6 -176.9(6) . . . . ?
S5' C5 C6 S6 -12.9(16) . . . . ?
C4 S4 C6 C5 4.1(10) . . . . ?
C4 S4 C6 S6 -178.9(6) . . . . ?
C8 S6 C6 C5 -99.0(10) . . . . ?
C8 S6 C6 S4 84.2(7) . . . . ?
Cu1 O1 C9 O2 -19.0(9) . . . . ?
Cu1 O1 C9 C1 161.1(4) . . . . ?
Cu1 O2 C9 O1 -162.6(5) 4 . . . ?
Cu1 O2 C9 C1 17.2(9) 4 . . . ?
C2 C1 C9 O1 -150.4(7) . . . . ?
S1 C1 C9 O1 22.4(7) . . . . ?
C2 C1 C9 O2 29.8(11) . . . . ?
S1 C1 C9 O2 -157.4(5) . . . . ?
Cu1 O4 C10 O3 163.2(7) 4 . . . ?
Cu1 O4 C10 C2 -16.3(11) 4 . . . ?
C1 C2 C10 O3 152.2(8) . . . . ?
S2 C2 C10 O3 -20.8(9) . . . . ?
C1 C2 C10 O4 -28.3(13) . . . . ?
S2 C2 C10 O4 158.7(6) . . . . ?
C15 N1 C11 C12 -0.5(10) . . . . ?
Cu1 N1 C11 C12 179.5(5) . . . . ?
N1 C11 C12 C13 0.3(12) . . . . ?
C11 C12 C13 C14 -0.2(12) . . . . ?
C12 C13 C14 C15 0.3(12) . . . . ?
C11 N1 C15 C14 0.5(10) . . . . ?
Cu1 N1 C15 C14 -179.5(5) . . . . ?
C11 N1 C15 C20 178.6(6) . . . . ?
Cu1 N1 C15 C20 -1.4(7) . . . . ?
C13 C14 C15 N1 -0.4(11) . . . . ?
C13 C14 C15 C20 -178.3(7) . . . . ?
C20 N2 C16 C17 -0.4(11) . . . . ?
Cu1 N2 C16 C17 178.8(6) . . . . ?
N2 C16 C17 C18 -0.3(13) . . . . ?
C16 C17 C18 C19 1.3(14) . . . . ?
C17 C18 C19 C20 -1.7(15) . . . . ?
C16 N2 C20 C19 0.0(11) . . . . ?
Cu1 N2 C20 C19 -179.2(6) . . . . ?
C16 N2 C20 C15 -178.4(6) . . . . ?
Cu1 N2 C20 C15 2.3(8) . . . . ?
C18 C19 C20 N2 1.0(13) . . . . ?
C18 C19 C20 C15 179.3(8) . . . . ?
N1 C15 C20 N2 -0.6(9) . . . . ?
C14 C15 C20 N2 177.4(6) . . . . ?
N1 C15 C20 C19 -179.0(7) . . . . ?
C14 C15 C20 C19 -1.0(12) . . . . ?
