#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:30:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179114 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/76/4307643.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_4307643
loop_
_publ_author_name
'Frank B. Johansson'
'Andrew D. Bond'
'Christine J. McKenzie'
_publ_contact_author_address
;
 University of Southern Denmark
 Department of Physics and Chemistry
 Campusvej 55
 5230 Odense
 Denmark
;
_publ_contact_author_email       adb@chem.sdu.dk
_publ_contact_author_fax         '+45 6615 8780'
_publ_contact_author_name        'Andrew D. Bond'
_publ_contact_author_phone       '+45 6650 2545'
_publ_section_title
;
Functional Tetrametallic Linker Modules for Coordination Polymers and
Metal-Organic Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2224
_journal_page_last               2236
_journal_paper_doi               10.1021/ic062131s
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety
;
 C64 H60 Cl4 Cu4 N12 O2 2+, Cl6 Zn2 2-, C2 H3 N
;
_chemical_formula_sum            'C66 H63 Cl10 Cu4 N13 O2 Zn2'
_chemical_formula_weight         1809.69
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 105.34(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.869(3)
_cell_length_b                   27.292(5)
_cell_length_c                   12.241(4)
_cell_measurement_reflns_used    3677
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.94
_cell_measurement_theta_min      2.87
_cell_volume                     3823.9(18)
_computing_cell_refinement       'TwinSolve v.1.60 (Svensson, 2005)'
_computing_data_collection       'SMART v.5.628  (Bruker, 2002)'
_computing_data_reduction        'TwinSolve v.1.60'
_computing_molecular_graphics    'SHELXTL v.6.10'
_computing_publication_material  'SHELXTL v.6.10'
_computing_structure_refinement  'SHELXTL v.6.10'
_computing_structure_solution    'SHELXTL v.6.10 (Sheldrick, 2000)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.936
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'Bruker SMART1000 CCD'
_diffrn_measurement_method       'thin-slice ω scans'
_diffrn_radiation_monochromator  'Silicon 111'
_diffrn_radiation_source
;
 Beamline I711 at the MAX-II storage ring: MAX-Lab, Lund, Sweden
;
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.8970
_diffrn_reflns_av_R_equivalents  0.0654
_diffrn_reflns_av_sigmaI/netI    0.0933
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5658
_diffrn_reflns_theta_full        31.90
_diffrn_reflns_theta_max         31.90
_diffrn_reflns_theta_min         2.37
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.110
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_correction_T_min  0.875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TwinSolve v.1.60 (Svensson, 2005)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.584
_refine_diff_density_min         -1.704
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         3142
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.1438
_refine_ls_R_factor_gt           0.0954
_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)+(0.1901P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2736
_refine_ls_wR_factor_ref         0.3040
_reflns_number_gt                1898
_reflns_number_total             3142
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic062131ssi20061110_025004_4.cif
_cod_data_source_block           3
_cod_original_cell_volume        3823.9(17)
_cod_original_sg_symbol_H-M      'I 2/m'
_cod_database_code               4307643
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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 0.11826(12) 0.29061(4) 0.16494(12) 0.0381(5) Uani 1 1 d . . .
Cl1 Cl 0.2111(3) 0.23393(11) 0.0826(2) 0.0518(8) Uani 1 1 d . . .
O1 O 0.0000 0.3189(3) 0.0000 0.037(2) Uani 1 2 d S . .
N1 N 0.0119(8) 0.2442(3) 0.2131(8) 0.046(2) Uani 1 1 d . . .
N2 N 0.0488(7) 0.3398(3) 0.2597(7) 0.038(2) Uani 1 1 d . . .
N3 N 0.2329(8) 0.3449(3) 0.1686(8) 0.046(2) Uani 1 1 d . . .
C1 C -0.0194(11) 0.1993(4) 0.1687(12) 0.054(3) Uani 1 1 d . . .
H1A H 0.0122 0.1872 0.1104 0.065 Uiso 1 1 calc R . .
C2 C -0.0983(13) 0.1705(5) 0.2083(17) 0.084(5) Uani 1 1 d . . .
H2A H -0.1207 0.1391 0.1763 0.101 Uiso 1 1 calc R . .
C3 C -0.1445(13) 0.1887(6) 0.2970(15) 0.077(5) Uani 1 1 d . . .
H3A H -0.1963 0.1694 0.3263 0.093 Uiso 1 1 calc R . .
C4 C -0.1136(13) 0.2333(6) 0.3375(14) 0.070(4) Uani 1 1 d . . .
H4A H -0.1467 0.2465 0.3938 0.084 Uiso 1 1 calc R . .
C5 C -0.0326(10) 0.2615(4) 0.2986(10) 0.047(3) Uani 1 1 d . . .
C6 C 0.0099(11) 0.3103(4) 0.3437(9) 0.046(3) Uani 1 1 d . . .
H6A H -0.0535 0.3278 0.3661 0.055 Uiso 1 1 calc R . .
H6B H 0.0758 0.3062 0.4122 0.055 Uiso 1 1 calc R . .
C7 C 0.1419(11) 0.3750(4) 0.3119(11) 0.052(3) Uani 1 1 d . . .
H7A H 0.1878 0.3625 0.3862 0.063 Uiso 1 1 calc R . .
H7B H 0.1069 0.4068 0.3243 0.063 Uiso 1 1 calc R . .
C8 C 0.2221(10) 0.3823(4) 0.2337(12) 0.054(3) Uani 1 1 d . . .
C9 C 0.2888(16) 0.4251(5) 0.235(2) 0.099(6) Uani 1 1 d . . .
H9A H 0.2843 0.4510 0.2855 0.118 Uiso 1 1 calc R . .
C10 C 0.361(2) 0.4297(7) 0.163(3) 0.149(12) Uani 1 1 d . . .
H10A H 0.4032 0.4591 0.1603 0.179 Uiso 1 1 calc R . .
C11 C 0.3702(14) 0.3911(7) 0.0969(19) 0.097(6) Uani 1 1 d . . .
H11A H 0.4219 0.3928 0.0495 0.116 Uiso 1 1 calc R . .
C12 C 0.3052(12) 0.3493(5) 0.0973(13) 0.062(4) Uani 1 1 d . . .
H12A H 0.3102 0.3231 0.0478 0.074 Uiso 1 1 calc R . .
C13 C -0.0550(10) 0.3656(4) 0.1836(10) 0.040(2) Uani 1 1 d . . .
H13A H -0.0882 0.3884 0.2299 0.048 Uiso 1 1 calc R . .
H13B H -0.1157 0.3410 0.1505 0.048 Uiso 1 1 calc R . .
C14 C 0.0000 0.3675(5) 0.0000 0.033(3) Uani 1 2 d S . .
C15 C -0.0257(9) 0.3942(3) 0.0885(9) 0.035(2) Uani 1 1 d . . .
C16 C -0.0258(9) 0.4455(4) 0.0884(8) 0.033(2) Uani 1 1 d . . .
H16A H -0.0436 0.4625 0.1494 0.040 Uiso 1 1 calc R . .
C17 C 0.0000 0.4723(4) 0.0000 0.031(3) Uani 1 2 d S . .
Zn2A Zn 0.0000 0.4565(4) 0.5000 0.188(5) Uani 0.50 2 d SP . .
Zn2B Zn 0.0974(8) 0.5000 0.5571(6) 0.113(2) Uani 0.50 2 d SP . .
Cl2A Cl 0.0598(7) 0.5000 0.3762(5) 0.090(2) Uani 1 2 d S . .
Cl2B Cl 0.1829(9) 0.4202(4) 0.6003(8) 0.199(4) Uani 1 1 d . . .
N1S N 0.5000 0.5000 0.0000 0.182(16) Uiso 1 4 d SD . .
C1S C 0.567(6) 0.5000 0.082(4) 0.182(16) Uiso 0.50 2 d SPD . .
C2S C 0.675(4) 0.5000 0.170(6) 0.182(16) Uiso 0.50 2 d SPD . .
H2S1 H 0.7149 0.4683 0.1732 0.273 Uiso 0.25 1 d PR . .
H2S2 H 0.6539 0.5055 0.2410 0.273 Uiso 0.25 1 d PR . .
H2S3 H 0.7277 0.5262 0.1590 0.273 Uiso 0.25 1 d PR . .
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'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
N1 Cu1 N3 161.2(4) . . ?
N1 Cu1 N2 82.5(4) . . ?
N3 Cu1 N2 82.9(4) . . ?
N1 Cu1 O1 100.9(3) . . ?
N3 Cu1 O1 91.4(3) . . ?
N2 Cu1 O1 91.9(3) . . ?
N1 Cu1 Cl1 96.8(3) . . ?
N3 Cu1 Cl1 96.1(3) . . ?
N2 Cu1 Cl1 172.6(3) . . ?
O1 Cu1 Cl1 95.44(17) . . ?
C14 O1 Cu1 109.9(2) . . ?
C14 O1 Cu1 109.9(2) . 2 ?
Cu1 O1 Cu1 140.2(4) . 2 ?
C1 N1 C5 119.8(10) . . ?
C1 N1 Cu1 126.0(9) . . ?
C5 N1 Cu1 114.2(7) . . ?
C6 N2 C7 113.0(9) . . ?
C6 N2 C13 109.4(8) . . ?
C7 N2 C13 111.1(8) . . ?
C6 N2 Cu1 106.2(6) . . ?
C7 N2 Cu1 107.4(7) . . ?
C13 N2 Cu1 109.7(7) . . ?
C8 N3 C12 119.3(11) . . ?
C8 N3 Cu1 114.3(8) . . ?
C12 N3 Cu1 125.6(9) . . ?
N1 C1 C2 120.5(14) . . ?
N1 C1 H1A 119.8 . . ?
C2 C1 H1A 119.8 . . ?
C1 C2 C3 119.5(14) . . ?
C1 C2 H2A 120.2 . . ?
C3 C2 H2A 120.2 . . ?
C4 C3 C2 118.6(13) . . ?
C4 C3 H3A 120.7 . . ?
C2 C3 H3A 120.7 . . ?
C3 C4 C5 121.3(15) . . ?
C3 C4 H4A 119.3 . . ?
C5 C4 H4A 119.3 . . ?
N1 C5 C4 120.3(12) . . ?
N1 C5 C6 115.6(9) . . ?
C4 C5 C6 124.2(12) . . ?
N2 C6 C5 111.8(9) . . ?
N2 C6 H6A 109.3 . . ?
C5 C6 H6A 109.3 . . ?
N2 C6 H6B 109.3 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 107.9 . . ?
N2 C7 C8 109.4(10) . . ?
N2 C7 H7A 109.8 . . ?
C8 C7 H7A 109.8 . . ?
N2 C7 H7B 109.8 . . ?
C8 C7 H7B 109.8 . . ?
H7A C7 H7B 108.2 . . ?
N3 C8 C9 120.2(14) . . ?
N3 C8 C7 116.9(10) . . ?
C9 C8 C7 122.8(14) . . ?
C10 C9 C8 120.5(19) . . ?
C10 C9 H9A 119.7 . . ?
C8 C9 H9A 119.7 . . ?
C11 C10 C9 118.1(18) . . ?
C11 C10 H10A 121.0 . . ?
C9 C10 H10A 121.0 . . ?
C10 C11 C12 120.7(17) . . ?
C10 C11 H11A 119.6 . . ?
C12 C11 H11A 119.6 . . ?
C11 C12 N3 121.1(15) . . ?
C11 C12 H12A 119.5 . . ?
N3 C12 H12A 119.5 . . ?
N2 C13 C15 113.5(9) . . ?
N2 C13 H13A 108.9 . . ?
C15 C13 H13A 108.9 . . ?
N2 C13 H13B 108.9 . . ?
C15 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
O1 C14 C15 121.2(6) . 2 ?
O1 C14 C15 121.2(6) . . ?
C15 C14 C15 117.6(12) 2 . ?
C16 C15 C14 121.1(9) . . ?
C16 C15 C13 121.0(9) . . ?
C14 C15 C13 117.9(9) . . ?
C15 C16 C17 121.5(9) . . ?
C15 C16 H16A 119.3 . . ?
C17 C16 H16A 119.3 . . ?
C16 C17 C16 117.2(11) 2 . ?
C16 C17 C17 121.4(6) 2 5_565 ?
C16 C17 C17 121.4(6) . 5_565 ?
N1S C1S C2S 165(10) . . ?
C1S C2S H2S1 110.7 . . ?
C1S C2S H2S2 105.9 . . ?
C1S C2S H2S3 111.7 . . ?
H2S1 C2S H2S2 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 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 N1 1.985(9) . ?
Cu1 N3 2.004(9) . ?
Cu1 N2 2.083(9) . ?
Cu1 O1 2.268(3) . ?
Cu1 Cl1 2.283(3) . ?
O1 C14 1.329(16) . ?
O1 Cu1 2.268(3) 2 ?
N1 C1 1.352(15) . ?
N1 C5 1.373(15) . ?
N2 C6 1.473(13) . ?
N2 C7 1.477(14) . ?
N2 C13 1.507(13) . ?
N3 C8 1.322(16) . ?
N3 C12 1.381(16) . ?
C1 C2 1.403(19) . ?
C1 H1A 0.950 . ?
C2 C3 1.43(2) . ?
C2 H2A 0.950 . ?
C3 C4 1.33(2) . ?
C3 H3A 0.950 . ?
C4 C5 1.409(17) . ?
C4 H4A 0.950 . ?
C5 C6 1.478(17) . ?
C6 H6A 0.990 . ?
C6 H6B 0.990 . ?
C7 C8 1.531(18) . ?
C7 H7A 0.990 . ?
C7 H7B 0.990 . ?
C8 C9 1.408(18) . ?
C9 C10 1.39(3) . ?
C9 H9A 0.950 . ?
C10 C11 1.35(3) . ?
C10 H10A 0.950 . ?
C11 C12 1.38(2) . ?
C11 H11A 0.950 . ?
C12 H12A 0.950 . ?
C13 C15 1.516(14) . ?
C13 H13A 0.990 . ?
C13 H13B 0.990 . ?
C14 C15 1.403(12) 2 ?
C14 C15 1.403(12) . ?
C15 C16 1.401(13) . ?
C16 C17 1.405(12) . ?
C16 H16A 0.950 . ?
C17 C16 1.405(12) 2 ?
C17 C17 1.51(2) 5_565 ?
N1S C1S 1.100(10) . ?
C1S C2S 1.445(10) . ?
C2S H2S1 0.980 . ?
C2S H2S2 0.980 . ?
C2S H2S3 0.980 . ?
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
N1 Cu1 O1 C14 128.4(3) . . . . ?
N3 Cu1 O1 C14 -37.3(3) . . . . ?
N2 Cu1 O1 C14 45.7(2) . . . . ?
Cl1 Cu1 O1 C14 -133.58(9) . . . . ?
N1 Cu1 O1 Cu1 -51.6(3) . . . 2 ?
N3 Cu1 O1 Cu1 142.7(3) . . . 2 ?
N2 Cu1 O1 Cu1 -134.3(2) . . . 2 ?
Cl1 Cu1 O1 Cu1 46.42(9) . . . 2 ?
N3 Cu1 N1 C1 -154.6(11) . . . . ?
N2 Cu1 N1 C1 165.9(10) . . . . ?
O1 Cu1 N1 C1 75.4(9) . . . . ?
Cl1 Cu1 N1 C1 -21.5(9) . . . . ?
N3 Cu1 N1 C5 26.4(16) . . . . ?
N2 Cu1 N1 C5 -13.2(8) . . . . ?
O1 Cu1 N1 C5 -103.7(8) . . . . ?
Cl1 Cu1 N1 C5 159.4(7) . . . . ?
N1 Cu1 N2 C6 25.2(7) . . . . ?
N3 Cu1 N2 C6 -142.8(7) . . . . ?
O1 Cu1 N2 C6 126.0(7) . . . . ?
N1 Cu1 N2 C7 146.4(7) . . . . ?
N3 Cu1 N2 C7 -21.6(7) . . . . ?
O1 Cu1 N2 C7 -112.8(7) . . . . ?
N1 Cu1 N2 C13 -92.8(6) . . . . ?
N3 Cu1 N2 C13 99.1(6) . . . . ?
O1 Cu1 N2 C13 7.9(6) . . . . ?
N1 Cu1 N3 C8 -33.1(17) . . . . ?
N2 Cu1 N3 C8 6.3(9) . . . . ?
O1 Cu1 N3 C8 98.1(8) . . . . ?
Cl1 Cu1 N3 C8 -166.3(8) . . . . ?
N1 Cu1 N3 C12 157.8(11) . . . . ?
N2 Cu1 N3 C12 -162.8(10) . . . . ?
O1 Cu1 N3 C12 -71.0(10) . . . . ?
Cl1 Cu1 N3 C12 24.6(10) . . . . ?
C5 N1 C1 C2 0.9(17) . . . . ?
Cu1 N1 C1 C2 -178.2(9) . . . . ?
N1 C1 C2 C3 -1(2) . . . . ?
C1 C2 C3 C4 2(2) . . . . ?
C2 C3 C4 C5 -3(2) . . . . ?
C1 N1 C5 C4 -2.1(16) . . . . ?
Cu1 N1 C5 C4 177.0(9) . . . . ?
C1 N1 C5 C6 178.1(10) . . . . ?
Cu1 N1 C5 C6 -2.7(12) . . . . ?
C3 C4 C5 N1 3(2) . . . . ?
C3 C4 C5 C6 -177.0(13) . . . . ?
C7 N2 C6 C5 -150.7(10) . . . . ?
C13 N2 C6 C5 85.0(11) . . . . ?
Cu1 N2 C6 C5 -33.2(10) . . . . ?
N1 C5 C6 N2 25.2(14) . . . . ?
C4 C5 C6 N2 -154.5(11) . . . . ?
C6 N2 C7 C8 148.3(9) . . . . ?
C13 N2 C7 C8 -88.4(11) . . . . ?
Cu1 N2 C7 C8 31.5(10) . . . . ?
C12 N3 C8 C9 -3.6(19) . . . . ?
Cu1 N3 C8 C9 -173.5(12) . . . . ?
C12 N3 C8 C7 -179.2(11) . . . . ?
Cu1 N3 C8 C7 10.9(14) . . . . ?
N2 C7 C8 N3 -29.5(15) . . . . ?
N2 C7 C8 C9 155.0(13) . . . . ?
N3 C8 C9 C10 4(3) . . . . ?
C7 C8 C9 C10 179.3(19) . . . . ?
C8 C9 C10 C11 -4(4) . . . . ?
C9 C10 C11 C12 3(4) . . . . ?
C10 C11 C12 N3 -3(3) . . . . ?
C8 N3 C12 C11 3(2) . . . . ?
Cu1 N3 C12 C11 171.6(11) . . . . ?
C6 N2 C13 C15 -175.7(9) . . . . ?
C7 N2 C13 C15 58.8(12) . . . . ?
Cu1 N2 C13 C15 -59.7(9) . . . . ?
Cu1 O1 C14 C15 126.4(5) . . . 2 ?
Cu1 O1 C14 C15 -53.6(5) 2 . . 2 ?
Cu1 O1 C14 C15 -53.6(5) . . . . ?
Cu1 O1 C14 C15 126.4(5) 2 . . . ?
O1 C14 C15 C16 -180.0(7) . . . . ?
C15 C14 C15 C16 0.0(7) 2 . . . ?
O1 C14 C15 C13 -0.7(10) . . . . ?
C15 C14 C15 C13 179.3(10) 2 . . . ?
N2 C13 C15 C16 -109.5(11) . . . . ?
N2 C13 C15 C14 71.3(11) . . . . ?
C14 C15 C16 C17 -0.1(14) . . . . ?
C13 C15 C16 C17 -179.3(8) . . . . ?
C15 C16 C17 C16 0.0(7) . . . 2 ?
C15 C16 C17 C17 -180.0(7) . . . 5_565 ?
