#------------------------------------------------------------------------------
#$Date: 2018-09-26 06:29:44 +0300 (Wed, 26 Sep 2018) $
#$Revision: 211175 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/23/8102303.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_8102303
loop_
_publ_author_name
'Cui-Qiao Zhang'
'Feng Fu'
'Yi-Xia Ren'
'Xiao-Ming Gao'
'Ji-Wu Wang'
_publ_section_title
;
 Crystal structure of (2,2':6',2''-terpyridine)copper(II)diacetate
 monohydrate, [Cu(C15H11N3)](O2CCH3)2 · H2O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              283
_journal_volume                  223
_journal_year                    2008
_chemical_formula_sum            'C19 H19 Cu N3 O5'
_chemical_formula_weight         432.91
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   15.644(10)
_cell_length_b                   44.19(3)
_cell_length_c                   11.027(7)
_cell_measurement_reflns_used    5943
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      25.58
_cell_measurement_theta_min      2.31
_cell_volume                     7623(9)
_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      291(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -53
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            14041
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    1.182
_exptl_absorpt_correction_T_max  0.8207
_exptl_absorpt_correction_T_min  0.6322
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       1.63X1.57X2.16
_exptl_crystal_F_000             3568
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.469
_refine_diff_density_min         -0.259
_refine_diff_density_rms         0.046
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.004(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         3542
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0297
_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)+(0.0430P)²+0.8466P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0726
_refine_ls_wR_factor_ref         0.0756
_reflns_number_gt                3220
_reflns_number_total             3542
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2301.cff
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to
'constr' 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_cell_volume        7623(8)
_cod_original_sg_symbol_H-M      Fdd2
_cod_database_code               8102303
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
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 0.10339(2) 0.061055(6) 0.42256(3) 0.04176(11) Uani 1 1 d . . .
O1 O 0.13724(18) 0.03351(6) 0.5715(3) 0.0705(7) Uani 1 1 d . . .
O2 O 0.0672(2) 0.06061(6) 0.7037(2) 0.0750(8) Uani 1 1 d . . .
O3 O 0.10947(15) 0.02494(5) 0.3175(2) 0.0536(5) Uani 1 1 d . . .
O4 O 0.0878(2) 0.05381(7) 0.1578(3) 0.0865(9) Uani 1 1 d . . .
O5 O 0.0895(2) 0.08266(6) 0.9298(4) 0.0920(8) Uani 1 1 d D . .
H1W H 0.0803 0.0730 0.8647 0.138 Uiso 1 1 d RD . .
H2W H 0.0682 0.0727 0.9872 0.138 Uiso 1 1 d RD . .
N1 N 0.22485(14) 0.07590(5) 0.3907(2) 0.0470(6) Uani 1 1 d . . .
N2 N 0.08968(13) 0.10477(5) 0.4463(2) 0.0377(5) Uani 1 1 d . . .
N3 N -0.02589(15) 0.06339(5) 0.4521(2) 0.0445(6) Uani 1 1 d . . .
C1 C 0.2928(2) 0.05826(8) 0.3673(4) 0.0650(10) Uani 1 1 d . . .
H1 H 0.2850 0.0374 0.3620 0.078 Uiso 1 1 calc R . .
C2 C 0.3739(2) 0.07005(11) 0.3508(4) 0.0748(11) Uani 1 1 d . . .
H2 H 0.4198 0.0574 0.3335 0.090 Uiso 1 1 calc R . .
C3 C 0.3853(2) 0.10090(10) 0.3603(4) 0.0703(10) Uani 1 1 d . . .
H3 H 0.4394 0.1092 0.3489 0.084 Uiso 1 1 calc R . .
C4 C 0.3167(2) 0.11958(7) 0.3867(3) 0.0558(8) Uani 1 1 d . . .
H4 H 0.3239 0.1404 0.3950 0.067 Uiso 1 1 calc R . .
C5 C 0.23657(17) 0.10623(6) 0.4004(2) 0.0421(6) Uani 1 1 d . . .
C6 C 0.15677(16) 0.12308(6) 0.4272(3) 0.0419(6) Uani 1 1 d . . .
C7 C 0.14663(19) 0.15434(6) 0.4302(3) 0.0539(7) Uani 1 1 d . . .
H7 H 0.1929 0.1672 0.4175 0.065 Uiso 1 1 calc R . .
C8 C 0.0662(2) 0.16583(7) 0.4524(3) 0.0613(9) Uani 1 1 d . . .
H8 H 0.0579 0.1867 0.4542 0.074 Uiso 1 1 calc R . .
C9 C -0.0036(2) 0.14640(7) 0.4725(3) 0.0554(8) Uani 1 1 d . . .
H9 H -0.0579 0.1541 0.4877 0.067 Uiso 1 1 calc R . .
C10 C 0.01094(17) 0.11565(6) 0.4689(2) 0.0409(6) Uani 1 1 d . . .
C11 C -0.05470(18) 0.09146(6) 0.4826(3) 0.0434(6) Uani 1 1 d . . .
C12 C -0.1366(2) 0.09635(9) 0.5217(4) 0.0610(9) Uani 1 1 d . . .
H12 H -0.1546 0.1157 0.5434 0.073 Uiso 1 1 calc R . .
C13 C -0.1924(2) 0.07190(9) 0.5283(4) 0.0709(10) Uani 1 1 d . . .
H13 H -0.2486 0.0747 0.5531 0.085 Uiso 1 1 calc R . .
C14 C -0.1637(2) 0.04356(9) 0.4981(4) 0.0669(10) Uani 1 1 d . . .
H14 H -0.2000 0.0270 0.5032 0.080 Uiso 1 1 calc R . .
C15 C -0.0797(2) 0.03995(7) 0.4596(3) 0.0545(8) Uani 1 1 d . . .
H15 H -0.0605 0.0207 0.4385 0.065 Uiso 1 1 calc R . .
C16 C 0.1111(2) 0.03773(7) 0.6694(4) 0.0524(7) Uani 1 1 d . . .
C17 C 0.1255(5) 0.01336(13) 0.7645(5) 0.121(2) Uani 1 1 d . . .
H17A H 0.1674 -0.0008 0.7356 0.181 Uiso 1 1 calc R . .
H17B H 0.0727 0.0030 0.7798 0.181 Uiso 1 1 calc R . .
H17C H 0.1455 0.0225 0.8382 0.181 Uiso 1 1 calc R . .
C18 C 0.10295(18) 0.02910(7) 0.2043(3) 0.0489(8) Uani 1 1 d . . .
C19 C 0.1180(3) 0.00121(10) 0.1268(4) 0.0714(10) Uani 1 1 d . . .
H19A H 0.1032 0.0056 0.0441 0.107 Uiso 1 1 calc R . .
H19B H 0.0831 -0.0151 0.1559 0.107 Uiso 1 1 calc R . .
H19C H 0.1771 -0.0045 0.1312 0.107 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
N2 Cu1 O3 151.60(9) . . ?
N2 Cu1 N1 78.94(9) . . ?
O3 Cu1 N1 96.55(10) . . ?
N2 Cu1 N3 79.72(8) . . ?
O3 Cu1 N3 100.45(9) . . ?
N1 Cu1 N3 158.33(9) . . ?
N2 Cu1 O1 119.44(11) . . ?
O3 Cu1 O1 88.76(12) . . ?
N1 Cu1 O1 94.90(10) . . ?
N3 Cu1 O1 98.78(10) . . ?
C16 O1 Cu1 122.6(2) . . ?
C18 O3 Cu1 117.22(19) . . ?
H1W O5 H2W 108.0 . . ?
C1 N1 C5 118.8(3) . . ?
C1 N1 Cu1 125.7(2) . . ?
C5 N1 Cu1 115.46(17) . . ?
C6 N2 C10 122.0(2) . . ?
C6 N2 Cu1 119.18(17) . . ?
C10 N2 Cu1 118.48(17) . . ?
C15 N3 C11 118.8(3) . . ?
C15 N3 Cu1 126.3(2) . . ?
C11 N3 Cu1 114.29(18) . . ?
N1 C1 C2 122.2(3) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C3 C2 C1 118.8(4) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C2 C3 C4 120.3(3) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C3 C4 C5 117.9(3) . . ?
C3 C4 H4 121.1 . . ?
C5 C4 H4 121.1 . . ?
N1 C5 C4 122.1(3) . . ?
N1 C5 C6 113.4(2) . . ?
C4 C5 C6 124.5(3) . . ?
N2 C6 C7 120.4(3) . . ?
N2 C6 C5 112.8(2) . . ?
C7 C6 C5 126.8(3) . . ?
C8 C7 C6 118.3(3) . . ?
C8 C7 H7 120.9 . . ?
C6 C7 H7 120.9 . . ?
C7 C8 C9 120.7(3) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C10 C9 C8 118.0(3) . . ?
C10 C9 H9 121.0 . . ?
C8 C9 H9 121.0 . . ?
N2 C10 C9 120.6(3) . . ?
N2 C10 C11 113.2(2) . . ?
C9 C10 C11 126.2(3) . . ?
N3 C11 C12 122.1(3) . . ?
N3 C11 C10 113.6(2) . . ?
C12 C11 C10 124.3(3) . . ?
C11 C12 C13 118.7(3) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 H12 120.6 . . ?
C14 C13 C12 119.4(3) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C13 C14 C15 119.3(3) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
N3 C15 C14 121.7(3) . . ?
N3 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
O1 C16 O2 125.9(3) . . ?
O1 C16 C17 118.2(4) . . ?
O2 C16 C17 115.8(4) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O4 C18 O3 123.7(3) . . ?
O4 C18 C19 121.1(3) . . ?
O3 C18 C19 115.1(3) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 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 N2 1.961(2) . ?
Cu1 O3 1.974(2) . ?
Cu1 N1 2.040(3) . ?
Cu1 N3 2.051(3) . ?
Cu1 O1 2.111(3) . ?
O1 C16 1.169(5) . ?
O2 C16 1.280(4) . ?
O3 C18 1.266(4) . ?
O4 C18 1.229(4) . ?
O5 H1W 0.8465 . ?
O5 H2W 0.8399 . ?
N1 C1 1.343(4) . ?
N1 C5 1.357(3) . ?
N2 C6 1.342(3) . ?
N2 C10 1.346(3) . ?
N3 C15 1.338(4) . ?
N3 C11 1.362(3) . ?
C1 C2 1.384(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.379(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.385(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.394(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.483(4) . ?
C6 C7 1.391(4) . ?
C7 C8 1.380(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.406(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.378(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.490(4) . ?
C11 C12 1.369(4) . ?
C12 C13 1.391(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.371(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.389(5) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.520(6) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.518(5) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O5 H1W O2 0.85 1.87 2.699(5) 166.2 .
O5 H2W O4 0.84 2.08 2.819(5) 146.4 1_556
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
N2 Cu1 O1 C16 37.4(3) . . . . ?
O3 Cu1 O1 C16 -146.1(3) . . . . ?
N1 Cu1 O1 C16 117.5(3) . . . . ?
N3 Cu1 O1 C16 -45.7(3) . . . . ?
N2 Cu1 O3 C18 1.5(4) . . . . ?
N1 Cu1 O3 C18 -77.4(2) . . . . ?
N3 Cu1 O3 C18 89.1(2) . . . . ?
O1 Cu1 O3 C18 -172.2(2) . . . . ?
N2 Cu1 N1 C1 176.7(3) . . . . ?
O3 Cu1 N1 C1 -31.7(3) . . . . ?
N3 Cu1 N1 C1 -173.2(3) . . . . ?
O1 Cu1 N1 C1 57.6(3) . . . . ?
N2 Cu1 N1 C5 0.0(2) . . . . ?
O3 Cu1 N1 C5 151.6(2) . . . . ?
N3 Cu1 N1 C5 10.0(4) . . . . ?
O1 Cu1 N1 C5 -119.1(2) . . . . ?
O3 Cu1 N2 C6 -80.1(3) . . . . ?
N1 Cu1 N2 C6 3.1(2) . . . . ?
N3 Cu1 N2 C6 -173.1(2) . . . . ?
O1 Cu1 N2 C6 92.5(2) . . . . ?
O3 Cu1 N2 C10 93.1(3) . . . . ?
N1 Cu1 N2 C10 176.3(2) . . . . ?
N3 Cu1 N2 C10 0.10(19) . . . . ?
O1 Cu1 N2 C10 -94.2(2) . . . . ?
N2 Cu1 N3 C15 -176.1(3) . . . . ?
O3 Cu1 N3 C15 32.7(3) . . . . ?
N1 Cu1 N3 C15 173.8(3) . . . . ?
O1 Cu1 N3 C15 -57.6(3) . . . . ?
N2 Cu1 N3 C11 -5.44(19) . . . . ?
O3 Cu1 N3 C11 -156.6(2) . . . . ?
N1 Cu1 N3 C11 -15.5(4) . . . . ?
O1 Cu1 N3 C11 113.1(2) . . . . ?
C5 N1 C1 C2 -1.1(6) . . . . ?
Cu1 N1 C1 C2 -177.7(3) . . . . ?
N1 C1 C2 C3 0.8(7) . . . . ?
C1 C2 C3 C4 0.4(7) . . . . ?
C2 C3 C4 C5 -1.3(6) . . . . ?
C1 N1 C5 C4 0.0(4) . . . . ?
Cu1 N1 C5 C4 177.0(2) . . . . ?
C1 N1 C5 C6 -179.6(3) . . . . ?
Cu1 N1 C5 C6 -2.6(3) . . . . ?
C3 C4 C5 N1 1.2(5) . . . . ?
C3 C4 C5 C6 -179.2(3) . . . . ?
C10 N2 C6 C7 -0.1(4) . . . . ?
Cu1 N2 C6 C7 172.9(3) . . . . ?
C10 N2 C6 C5 -178.3(2) . . . . ?
Cu1 N2 C6 C5 -5.3(3) . . . . ?
N1 C5 C6 N2 5.0(3) . . . . ?
C4 C5 C6 N2 -174.6(3) . . . . ?
N1 C5 C6 C7 -173.0(3) . . . . ?
C4 C5 C6 C7 7.3(5) . . . . ?
N2 C6 C7 C8 -0.4(5) . . . . ?
C5 C6 C7 C8 177.6(3) . . . . ?
C6 C7 C8 C9 0.5(5) . . . . ?
C7 C8 C9 C10 -0.1(5) . . . . ?
C6 N2 C10 C9 0.4(4) . . . . ?
Cu1 N2 C10 C9 -172.6(2) . . . . ?
C6 N2 C10 C11 177.8(2) . . . . ?
Cu1 N2 C10 C11 4.8(3) . . . . ?
C8 C9 C10 N2 -0.3(5) . . . . ?
C8 C9 C10 C11 -177.3(3) . . . . ?
C15 N3 C11 C12 0.7(5) . . . . ?
Cu1 N3 C11 C12 -170.8(3) . . . . ?
C15 N3 C11 C10 -179.2(2) . . . . ?
Cu1 N3 C11 C10 9.3(3) . . . . ?
N2 C10 C11 N3 -9.2(3) . . . . ?
C9 C10 C11 N3 167.9(3) . . . . ?
N2 C10 C11 C12 170.9(3) . . . . ?
C9 C10 C11 C12 -12.0(5) . . . . ?
N3 C11 C12 C13 -1.1(5) . . . . ?
C10 C11 C12 C13 178.8(3) . . . . ?
C11 C12 C13 C14 1.3(6) . . . . ?
C12 C13 C14 C15 -0.9(6) . . . . ?
C11 N3 C15 C14 -0.3(5) . . . . ?
Cu1 N3 C15 C14 170.0(3) . . . . ?
C13 C14 C15 N3 0.5(6) . . . . ?
Cu1 O1 C16 O2 -7.9(5) . . . . ?
Cu1 O1 C16 C17 168.5(4) . . . . ?
Cu1 O3 C18 O4 -4.7(4) . . . . ?
Cu1 O3 C18 C19 173.4(2) . . . . ?
