#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/31/2203149.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_2203149
loop_
_publ_author_name
'Dilovan S. Cati'
'Helen Stoeckli-Evans'
_publ_section_title
;
 A neutral macrocyclic binuclear copper(II) complex of the deprotonated
 form of the ligand
 N,N'-bis(pyridin-2-ylmethyl)pyrazine-2,3-dicarboxamide
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m180
_journal_page_last               m182
_journal_paper_doi               10.1107/S1600536804000534
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cu2 (C18 H16 N6 O2)2], 8H2 O'
_chemical_formula_moiety         'C36 H28 Cu2 N12 O4, 8(H2 O)'
_chemical_formula_sum            'C36 H44 Cu2 N12 O12'
_chemical_formula_weight         963.91
_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                114.331(13)
_cell_angle_beta                 90.178(13)
_cell_angle_gamma                100.199(13)
_cell_formula_units_Z            1
_cell_length_a                   9.3201(10)
_cell_length_b                   9.9743(12)
_cell_length_c                   11.8877(13)
_cell_measurement_reflns_used    4800
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.90
_cell_measurement_theta_min      1.89
_cell_volume                     987.5(2)
_computing_cell_refinement       'CELL (Stoe & Cie, 2000)'
_computing_data_collection       'EXPOSE (Stoe & Cie, 2000)'
_computing_data_reduction        'INTEGRATE (Stoe & Cie, 2000)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 0.81\%A
_diffrn_measured_fraction_theta_full 0.928
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       'φ oscillation'
_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  0.0669
_diffrn_reflns_av_sigmaI/netI    0.0778
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7722
_diffrn_reflns_theta_full        25.90
_diffrn_reflns_theta_max         25.90
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.157
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             498
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.635
_refine_diff_density_min         -0.760
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         3577
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.967
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0445
_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)+(0.0633P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1144
_reflns_number_gt                2697
_reflns_number_total             3577
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt6392.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        987.46(19)
_cod_database_code               2203149
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
Cu1 0.07737(5) 0.73163(5) 0.39735(4) 0.01922(15) Uani d . 1 Cu
O1 0.0167(3) 0.7475(3) 0.7373(2) 0.0364(7) Uani d . 1 O
O2 -0.3275(3) 0.6196(3) 0.7656(2) 0.0262(6) Uani d . 1 O
N1 -0.1153(3) 0.6125(3) 0.4218(2) 0.0166(6) Uani d . 1 N
N2 -0.3479(3) 0.4483(3) 0.4831(3) 0.0219(7) Uani d . 1 N
N3 0.1100(3) 0.7769(3) 0.5688(2) 0.0197(6) Uani d . 1 N
N4 0.2196(4) 0.9380(3) 0.4546(3) 0.0231(7) Uani d . 1 N
N5 -0.2078(3) 0.4206(3) 0.7054(2) 0.0154(6) Uani d . 1 N
N6 -0.0274(4) 0.2836(3) 0.7715(3) 0.0222(7) Uani d . 1 N
C1 -0.1183(4) 0.6193(4) 0.5381(3) 0.0158(7) Uani d . 1 C
C2 -0.2342(4) 0.5347(4) 0.5677(3) 0.0162(7) Uani d . 1 C
C3 -0.3425(4) 0.4456(4) 0.3704(3) 0.0228(8) Uani d . 1 C
H3 -0.4214 0.3864 0.3097 0.027 Uiso calc R 1 H
C4 -0.2256(4) 0.5261(4) 0.3384(3) 0.0208(8) Uani d . 1 C
H4 -0.2245 0.5194 0.2564 0.025 Uiso calc R 1 H
C5 0.0120(4) 0.7225(4) 0.6260(3) 0.0176(7) Uani d . 1 C
C6 0.2369(4) 0.8906(4) 0.6387(3) 0.0249(8) Uani d . 1 C
H6A 0.3169 0.8420 0.6487 0.030 Uiso calc R 1 H
H6B 0.2111 0.9542 0.7221 0.030 Uiso calc R 1 H
C7 0.2863(4) 0.9860(4) 0.5691(3) 0.0225(8) Uani d . 1 C
C8 0.3939(5) 1.1134(4) 0.6208(4) 0.0306(9) Uani d . 1 C
H8 0.4390 1.1438 0.7015 0.037 Uiso calc R 1 H
C9 0.4353(5) 1.1969(4) 0.5527(4) 0.0334(10) Uani d . 1 C
H9 0.5094 1.2850 0.5861 0.040 Uiso calc R 1 H
C10 0.3669(5) 1.1493(4) 0.4360(4) 0.0341(10) Uani d . 1 C
H10 0.3928 1.2048 0.3882 0.041 Uiso calc R 1 H
C11 0.2612(5) 1.0213(4) 0.3896(4) 0.0297(9) Uani d . 1 C
H11 0.2151 0.9894 0.3090 0.036 Uiso calc R 1 H
C12 -0.2557(4) 0.5288(4) 0.6929(3) 0.0175(7) Uani d . 1 C
C13 -0.2393(4) 0.4034(4) 0.8197(3) 0.0215(8) Uani d . 1 C
H13A -0.3361 0.3374 0.8078 0.026 Uiso calc R 1 H
H13B -0.2425 0.5025 0.8873 0.026 Uiso calc R 1 H
C14 -0.1238(4) 0.3369(4) 0.8546(3) 0.0201(8) Uani d . 1 C
C15 -0.1143(5) 0.3298(4) 0.9687(3) 0.0276(9) Uani d . 1 C
H15 -0.1844 0.3645 1.0262 0.033 Uiso calc R 1 H
C16 -0.0035(5) 0.2726(5) 0.9981(3) 0.0357(10) Uani d . 1 C
H16 0.0046 0.2686 1.0763 0.043 Uiso calc R 1 H
C17 0.0962(5) 0.2208(5) 0.9122(4) 0.0374(11) Uani d . 1 C
H17 0.1744 0.1815 0.9305 0.045 Uiso calc R 1 H
C18 0.0797(5) 0.2276(4) 0.7999(4) 0.0309(9) Uani d . 1 C
H18 0.1472 0.1909 0.7403 0.037 Uiso calc R 1 H
O1W 0.4982(5) 0.8954(5) 0.1104(4) 0.0717(12) Uani d . 1 O
O2W 0.5272(4) 0.4092(4) 0.0628(3) 0.0499(9) Uani d . 1 O
O3W 0.7302(5) 0.0975(5) 0.0883(4) 0.0728(12) Uani d . 1 O
O4W 0.2115(18) 0.0867(9) 0.1450(6) 0.069(5) Uani d P 0.59(3) O
O5W 0.295(2) 0.0625(14) 0.116(3) 0.120(8) Uani d P 0.41(3) O
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
N3 Cu1 N6 . 2_566 169.89(12) yes
N3 Cu1 N1 . . 80.17(12) yes
N6 Cu1 N1 2_566 . 99.60(12) yes
N3 Cu1 N4 . . 80.73(12) yes
N6 Cu1 N4 2_566 . 94.67(13) yes
N1 Cu1 N4 . . 147.15(11) yes
N3 Cu1 N5 . 2_566 109.34(12) yes
N6 Cu1 N5 2_566 2_566 80.40(11) yes
N1 Cu1 N5 . 2_566 108.66(11) yes
N4 Cu1 N5 . 2_566 102.79(12) yes
C4 N1 C1 . . 118.8(3) ?
C4 N1 Cu1 . . 128.6(2) ?
C1 N1 Cu1 . . 112.3(2) ?
C3 N2 C2 . . 117.4(3) ?
C5 N3 C6 . . 120.4(3) ?
C5 N3 Cu1 . . 121.3(2) ?
C6 N3 Cu1 . . 117.8(2) ?
C7 N4 C11 . . 117.6(3) ?
C7 N4 Cu1 . . 113.1(2) ?
C11 N4 Cu1 . . 129.1(3) ?
C12 N5 C13 . . 115.8(3) ?
C12 N5 Cu1 . 2_566 134.2(2) ?
C13 N5 Cu1 . 2_566 109.8(2) ?
C18 N6 C14 . . 119.9(3) ?
C18 N6 Cu1 . 2_566 124.6(3) ?
C14 N6 Cu1 . 2_566 114.9(2) ?
N1 C1 C2 . . 120.1(3) ?
N1 C1 C5 . . 114.4(3) ?
C2 C1 C5 . . 125.4(3) ?
N2 C2 C1 . . 120.9(3) ?
N2 C2 C12 . . 111.8(3) ?
C1 C2 C12 . . 127.2(3) ?
N2 C3 C4 . . 122.3(3) ?
N2 C3 H3 . . 118.9 ?
C4 C3 H3 . . 118.9 ?
N1 C4 C3 . . 120.4(3) ?
N1 C4 H4 . . 119.8 ?
C3 C4 H4 . . 119.8 ?
O1 C5 N3 . . 127.9(3) ?
O1 C5 C1 . . 120.6(3) ?
N3 C5 C1 . . 111.5(3) ?
N3 C6 C7 . . 108.7(3) ?
N3 C6 H6A . . 109.9 ?
C7 C6 H6A . . 109.9 ?
N3 C6 H6B . . 109.9 ?
C7 C6 H6B . . 109.9 ?
H6A C6 H6B . . 108.3 ?
N4 C7 C8 . . 122.7(3) ?
N4 C7 C6 . . 116.0(3) ?
C8 C7 C6 . . 121.3(4) ?
C7 C8 C9 . . 118.9(4) ?
C7 C8 H8 . . 120.5 ?
C9 C8 H8 . . 120.5 ?
C10 C9 C8 . . 118.8(4) ?
C10 C9 H9 . . 120.6 ?
C8 C9 H9 . . 120.6 ?
C11 C10 C9 . . 119.5(4) ?
C11 C10 H10 . . 120.2 ?
C9 C10 H10 . . 120.2 ?
N4 C11 C10 . . 122.5(4) ?
N4 C11 H11 . . 118.7 ?
C10 C11 H11 . . 118.7 ?
O2 C12 N5 . . 128.4(3) ?
O2 C12 C2 . . 116.7(3) ?
N5 C12 C2 . . 114.6(3) ?
N5 C13 C14 . . 110.2(3) ?
N5 C13 H13A . . 109.6 ?
C14 C13 H13A . . 109.6 ?
N5 C13 H13B . . 109.6 ?
C14 C13 H13B . . 109.6 ?
H13A C13 H13B . . 108.1 ?
N6 C14 C15 . . 120.1(3) ?
N6 C14 C13 . . 117.8(3) ?
C15 C14 C13 . . 122.1(3) ?
C16 C15 C14 . . 120.0(4) ?
C16 C15 H15 . . 120.0 ?
C14 C15 H15 . . 120.0 ?
C15 C16 C17 . . 119.0(3) ?
C15 C16 H16 . . 120.5 ?
C17 C16 H16 . . 120.5 ?
C18 C17 C16 . . 118.5(4) ?
C18 C17 H17 . . 120.7 ?
C16 C17 H17 . . 120.7 ?
N6 C18 C17 . . 122.4(4) ?
N6 C18 H18 . . 118.8 ?
C17 C18 H18 . . 118.8 ?
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
Cu1 N3 . 1.908(3) yes
Cu1 N6 2_566 1.997(3) yes
Cu1 N1 . 2.062(3) yes
Cu1 N4 . 2.081(3) yes
Cu1 N5 2_566 2.100(3) yes
O1 C5 . 1.240(4) yes
O2 C12 . 1.260(4) yes
N1 C4 . 1.326(5) ?
N1 C1 . 1.358(4) ?
N2 C3 . 1.330(4) ?
N2 C2 . 1.355(5) ?
N3 C5 . 1.313(4) ?
N3 C6 . 1.455(5) ?
N4 C7 . 1.349(5) ?
N4 C11 . 1.362(5) ?
N5 C12 . 1.300(4) ?
N5 C13 . 1.462(4) ?
N5 Cu1 2_566 2.100(3) ?
N6 C18 . 1.333(5) ?
N6 C14 . 1.344(5) ?
N6 Cu1 2_566 1.997(3) ?
C1 C2 . 1.388(5) ?
C1 C5 . 1.513(5) ?
C2 C12 . 1.525(4) ?
C3 C4 . 1.386(5) ?
C3 H3 . 0.9500 ?
C4 H4 . 0.9500 ?
C6 C7 . 1.516(5) ?
C6 H6A . 0.9900 ?
C6 H6B . 0.9900 ?
C7 C8 . 1.378(6) ?
C8 C9 . 1.393(6) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.379(7) ?
C9 H9 . 0.9500 ?
C10 C11 . 1.369(6) ?
C10 H10 . 0.9500 ?
C11 H11 . 0.9500 ?
C13 C14 . 1.499(5) ?
C13 H13A . 0.9900 ?
C13 H13B . 0.9900 ?
C14 C15 . 1.390(5) ?
C15 C16 . 1.373(6) ?
C15 H15 . 0.9500 ?
C16 C17 . 1.384(6) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.373(5) ?
C17 H17 . 0.9500 ?
C18 H18 . 0.9500 ?
O4W O5W . 0.889(16) ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
O1 O3W 2.879(5) 2_666 no
O1 O4W 2.928(15) 2_566 no
O1W O5W 2.72(2) 1_565 no
O1W O2W 2.848(6) 2_665 no
O1W O3W 3.206(7) 2_665 no
O1W O3W 2.776(7) 1_565 no
O2 O4W 2.681(10) 2_566 no
O2 O2W 2.833(4) 2_566 no
O2 O5W 2.85(2) 2_566 no
O2W O1W 2.848(6) 2_665 no
O2W O2 2.833(5) 2_566 no
O2W O2W 2.884(6) 2_665 no
O3W O1 2.879(5) 2_666 no
O3W O1W 2.776(7) 1_545 no
O3W O1W 3.206(7) 2_665 no
O4W O1 2.928(15) 2_566 no
O4W O3W 2.744(9) 2_655 no
O4W O2 2.681(10) 2_566 no
O5W O2 2.85(2) 2_566 no
O5W O1W 2.72(2) 1_545 no
O5W O3W 2.27(3) 2_655 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
C3 H3 O2 2_466 0.95 2.48 3.300(5) 144
C6 H6B O3W 2_666 0.99 2.59 3.210(6) 121
C8 H8 O1W 2_676 0.95 2.51 3.387(6) 154
C9 H9 N2 1_665 0.95 2.61 3.314(6) 131
C11 H11 O4W 1_565 0.95 2.51 3.280(9) 138
C16 H16 O1 2_567 0.95 2.29 3.235(4) 171
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
_geom_torsion_publ_flag
N3 Cu1 N1 C4 . -177.9(3) ?
N6 Cu1 N1 C4 2_566 12.3(3) ?
N4 Cu1 N1 C4 . 126.8(3) ?
N5 Cu1 N1 C4 2_566 -70.7(3) ?
N3 Cu1 N1 C1 . -3.2(2) ?
N6 Cu1 N1 C1 2_566 -172.9(2) ?
N4 Cu1 N1 C1 . -58.4(3) ?
N5 Cu1 N1 C1 2_566 104.1(2) ?
N6 Cu1 N3 C5 2_566 89.7(8) ?
N1 Cu1 N3 C5 . 0.1(3) ?
N4 Cu1 N3 C5 . 153.3(3) ?
N5 Cu1 N3 C5 2_566 -106.3(3) ?
N6 Cu1 N3 C6 2_566 -81.6(8) ?
N1 Cu1 N3 C6 . -171.2(3) ?
N4 Cu1 N3 C6 . -18.0(3) ?
N5 Cu1 N3 C6 2_566 82.4(3) ?
N3 Cu1 N4 C7 . 12.6(3) ?
N6 Cu1 N4 C7 2_566 -176.5(3) ?
N1 Cu1 N4 C7 . 67.7(3) ?
N5 Cu1 N4 C7 2_566 -95.3(3) ?
N3 Cu1 N4 C11 . -173.2(3) ?
N6 Cu1 N4 C11 2_566 -2.3(3) ?
N1 Cu1 N4 C11 . -118.1(3) ?
N5 Cu1 N4 C11 2_566 78.9(3) ?
C4 N1 C1 C2 . 1.1(5) ?
Cu1 N1 C1 C2 . -174.3(2) ?
C4 N1 C1 C5 . -179.3(3) ?
Cu1 N1 C1 C5 . 5.3(3) ?
C3 N2 C2 C1 . 1.3(5) ?
C3 N2 C2 C12 . 179.3(3) ?
N1 C1 C2 N2 . -2.1(5) ?
C5 C1 C2 N2 . 178.3(3) ?
N1 C1 C2 C12 . -179.8(3) ?
C5 C1 C2 C12 . 0.7(5) ?
C2 N2 C3 C4 . 0.5(5) ?
C1 N1 C4 C3 . 0.7(5) ?
Cu1 N1 C4 C3 . 175.2(2) ?
N2 C3 C4 N1 . -1.6(5) ?
C6 N3 C5 O1 . -5.8(6) ?
Cu1 N3 C5 O1 . -176.9(3) ?
C6 N3 C5 C1 . 173.7(3) yes
Cu1 N3 C5 C1 . 2.6(4) ?
N1 C1 C5 O1 . 174.3(3) ?
C2 C1 C5 O1 . -6.1(5) ?
N1 C1 C5 N3 . -5.3(4) ?
C2 C1 C5 N3 . 174.3(3) ?
C5 N3 C6 C7 . -151.9(3) yes
Cu1 N3 C6 C7 . 19.5(4) ?
C11 N4 C7 C8 . -0.5(5) ?
Cu1 N4 C7 C8 . 174.4(3) ?
C11 N4 C7 C6 . 179.8(3) ?
Cu1 N4 C7 C6 . -5.2(4) ?
N3 C6 C7 N4 . -8.1(4) ?
N3 C6 C7 C8 . 172.3(3) ?
N4 C7 C8 C9 . 0.3(6) ?
C6 C7 C8 C9 . 179.9(4) ?
C7 C8 C9 C10 . 0.2(6) ?
C8 C9 C10 C11 . -0.5(6) ?
C7 N4 C11 C10 . 0.3(5) ?
Cu1 N4 C11 C10 . -173.7(3) ?
C9 C10 C11 N4 . 0.3(6) ?
C13 N5 C12 O2 . -1.1(5) ?
Cu1 N5 C12 O2 2_566 -175.4(3) ?
C13 N5 C12 C2 . -174.4(3) yes
Cu1 N5 C12 C2 2_566 11.2(5) ?
N2 C2 C12 O2 . -86.2(4) ?
C1 C2 C12 O2 . 91.6(4) ?
N2 C2 C12 N5 . 88.0(4) ?
C1 C2 C12 N5 . -94.2(4) ?
C12 N5 C13 C14 . -151.6(3) yes
Cu1 N5 C13 C14 2_566 24.1(3) ?
C18 N6 C14 C15 . -1.8(6) ?
Cu1 N6 C14 C15 2_566 169.4(3) ?
C18 N6 C14 C13 . 178.0(3) ?
Cu1 N6 C14 C13 2_566 -10.8(4) ?
N5 C13 C14 N6 . -9.9(5) ?
N5 C13 C14 C15 . 169.9(3) ?
N6 C14 C15 C16 . 2.1(6) ?
C13 C14 C15 C16 . -177.7(4) ?
C14 C15 C16 C17 . -0.9(6) ?
C15 C16 C17 C18 . -0.5(7) ?
C14 N6 C18 C17 . 0.3(6) ?
Cu1 N6 C18 C17 2_566 -170.0(3) ?
C16 C17 C18 N6 . 0.8(7) ?
