#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:00:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179088 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/50/4305006.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_4305006
loop_
_publ_author_name
'Feng-Qin Wang'
'Wei-Hua Mu'
'Xiang-Jun Zheng'
'Li-Cun Li'
'De-Cai Fang'
'Lin-Pei Jin'
_publ_section_title
;
Hydrothermal Reaction of Cu(II)/Pyrazine-2,3,5-tricarboxylic acid and
Characterization of the Copper(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5225
_journal_page_last               5233
_journal_paper_doi               10.1021/ic8001916
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C34 H22 Cu3 N8 O14'
_chemical_formula_sum            'C34 H22 Cu3 N8 O14'
_chemical_formula_weight         957.22
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 90.821(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.5561(11)
_cell_length_b                   17.521(3)
_cell_length_c                   10.0643(16)
_cell_measurement_reflns_used    4423
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      2.3
_cell_volume                     1684.9(4)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            12814
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    1.965
_exptl_absorpt_correction_T_max  0.8912
_exptl_absorpt_correction_T_min  0.7983
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.887
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             962
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.446
_refine_diff_density_min         -0.531
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         3839
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0512P)²+0.2355P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0773
_refine_ls_wR_factor_ref         0.0824
_reflns_number_gt                3362
_reflns_number_total             4012
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8001916-file003_3.cif
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_database_code               4305006
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.87634(2) 0.169491(13) 0.18523(2) 0.02383(9) Uani 1 1 d . . .
Cu2 Cu 0.5000 0.5000 0.0000 0.03077(11) Uani 1 2 d S . .
O1 O 0.69013(15) 0.17497(7) 0.26060(15) 0.0281(3) Uani 1 1 d . . .
O2 O 0.51615(19) 0.24627(10) 0.3306(2) 0.0542(6) Uani 1 1 d . . .
O3 O 0.97132(15) 0.29924(9) -0.14902(14) 0.0329(3) Uani 1 1 d . . .
O4 O 1.07096(16) 0.35870(11) 0.02393(18) 0.0429(4) Uani 1 1 d . . .
O5 O 0.85542(14) 0.46136(8) -0.18640(15) 0.0293(3) Uani 1 1 d . . .
O6 O 0.64402(16) 0.50733(8) -0.13638(15) 0.0323(3) Uani 1 1 d . . .
O7 O 0.34796(17) 0.38628(10) -0.09595(18) 0.0427(4) Uani 1 1 d . . .
H1W H 0.2702 0.3715 -0.0698 0.064 Uiso 1 1 d R . .
H2W H 0.3857 0.3425 -0.0992 0.064 Uiso 1 1 d R . .
N1 N 0.79093(16) 0.29321(9) 0.11258(16) 0.0210(3) Uani 1 1 d . . .
N2 N 0.61565(16) 0.41382(9) 0.06030(16) 0.0217(3) Uani 1 1 d . . .
N3 N 0.81060(17) 0.10880(9) 0.02680(17) 0.0262(4) Uani 1 1 d . . .
N4 N 1.05533(17) 0.16266(9) 0.08965(17) 0.0236(3) Uani 1 1 d . . .
C1 C 0.6206(2) 0.23608(11) 0.2637(2) 0.0256(4) Uani 1 1 d . . .
C2 C 0.66751(19) 0.30022(11) 0.17351(19) 0.0215(4) Uani 1 1 d . . .
C3 C 0.82672(19) 0.34664(10) 0.02424(18) 0.0200(4) Uani 1 1 d . . .
C4 C 0.73472(19) 0.40677(10) -0.00529(18) 0.0199(4) Uani 1 1 d . . .
C5 C 0.5801(2) 0.36148(11) 0.14992(19) 0.0246(4) Uani 1 1 d . . .
H5 H 0.4970 0.3663 0.1962 0.030 Uiso 1 1 calc R . .
C6 C 0.9700(2) 0.33612(11) -0.0398(2) 0.0247(4) Uani 1 1 d . . .
C7 C 0.7496(2) 0.46340(10) -0.11892(19) 0.0227(4) Uani 1 1 d . . .
C8 C 0.6822(2) 0.07961(14) 0.0075(2) 0.0364(5) Uani 1 1 d . . .
H8 H 0.6116 0.0928 0.0659 0.044 Uiso 1 1 calc R . .
C9 C 0.6515(3) 0.03077(14) -0.0957(3) 0.0422(6) Uani 1 1 d . . .
H9 H 0.5611 0.0121 -0.1078 0.051 Uiso 1 1 calc R . .
C10 C 0.7563(3) 0.00971(13) -0.1810(3) 0.0401(5) Uani 1 1 d . . .
H10 H 0.7383 -0.0249 -0.2492 0.048 Uiso 1 1 calc R . .
C11 C 0.8887(2) 0.04055(13) -0.1640(2) 0.0352(5) Uani 1 1 d . . .
H11 H 0.9601 0.0284 -0.2222 0.042 Uiso 1 1 calc R . .
C12 C 0.9124(2) 0.08997(11) -0.0583(2) 0.0256(4) Uani 1 1 d . . .
C13 C 1.0498(2) 0.12424(11) -0.0264(2) 0.0259(4) Uani 1 1 d . . .
C14 C 1.1651(2) 0.11753(13) -0.1071(2) 0.0369(5) Uani 1 1 d . . .
H14 H 1.1598 0.0910 -0.1870 0.044 Uiso 1 1 calc R . .
C15 C 1.2887(3) 0.15161(15) -0.0648(3) 0.0443(6) Uani 1 1 d . . .
H15 H 1.3686 0.1475 -0.1161 0.053 Uiso 1 1 calc R . .
C16 C 1.2938(2) 0.19117(15) 0.0516(3) 0.0411(6) Uani 1 1 d . . .
H16 H 1.3761 0.2151 0.0792 0.049 Uiso 1 1 calc R . .
C17 C 1.1752(2) 0.19548(13) 0.1285(2) 0.0314(5) Uani 1 1 d . . .
H17 H 1.1790 0.2217 0.2088 0.038 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
O1 Cu1 O3 93.96(6) . 4_566 ?
O1 Cu1 N4 173.78(7) . . ?
O3 Cu1 N4 92.15(7) 4_566 . ?
O1 Cu1 N3 93.33(7) . . ?
O3 Cu1 N3 162.96(7) 4_566 . ?
N4 Cu1 N3 81.07(7) . . ?
O1 Cu1 N1 76.58(5) . . ?
O3 Cu1 N1 98.98(6) 4_566 . ?
N4 Cu1 N1 101.37(6) . . ?
N3 Cu1 N1 97.68(6) . . ?
O6 Cu2 O6 179.998(1) 3_665 . ?
O6 Cu2 N2 97.53(6) 3_665 . ?
O6 Cu2 N2 82.48(6) . . ?
O6 Cu2 N2 82.47(6) 3_665 3_665 ?
O6 Cu2 N2 97.52(6) . 3_665 ?
N2 Cu2 N2 180.0 . 3_665 ?
C1 O1 Cu1 122.45(12) . . ?
C6 O3 Cu1 125.44(13) . 4_565 ?
C7 O6 Cu2 115.12(12) . . ?
H1W O7 H2W 96.5 . . ?
C3 N1 C2 118.27(15) . . ?
C3 N1 Cu1 137.48(12) . . ?
C2 N1 Cu1 103.77(11) . . ?
C4 N2 C5 119.99(16) . . ?
C4 N2 Cu2 113.59(12) . . ?
C5 N2 Cu2 126.20(13) . . ?
C8 N3 C12 118.84(19) . . ?
C8 N3 Cu1 126.28(15) . . ?
C12 N3 Cu1 114.45(14) . . ?
C17 N4 C13 119.43(17) . . ?
C17 N4 Cu1 125.15(14) . . ?
C13 N4 Cu1 115.35(13) . . ?
O2 C1 O1 124.83(18) . . ?
O2 C1 C2 118.13(17) . . ?
O1 C1 C2 117.01(16) . . ?
N1 C2 C5 121.76(17) . . ?
N1 C2 C1 118.35(16) . . ?
C5 C2 C1 119.77(16) . . ?
N1 C3 C4 120.07(16) . . ?
N1 C3 C6 115.69(16) . . ?
C4 C3 C6 124.23(16) . . ?
N2 C4 C3 120.23(16) . . ?
N2 C4 C7 113.72(16) . . ?
C3 C4 C7 125.75(16) . . ?
N2 C5 C2 119.51(17) . . ?
N2 C5 H5 120.2 . . ?
C2 C5 H5 120.2 . . ?
O4 C6 O3 126.96(19) . . ?
O4 C6 C3 116.43(18) . . ?
O3 C6 C3 116.35(17) . . ?
O5 C7 O6 126.62(18) . . ?
O5 C7 C4 118.91(17) . . ?
O6 C7 C4 114.41(16) . . ?
N3 C8 C9 122.1(2) . . ?
N3 C8 H8 118.9 . . ?
C9 C8 H8 118.9 . . ?
C8 C9 C10 119.2(2) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 H9 120.4 . . ?
C9 C10 C11 119.3(2) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 C12 118.5(2) . . ?
C10 C11 H11 120.8 . . ?
C12 C11 H11 120.8 . . ?
N3 C12 C11 122.0(2) . . ?
N3 C12 C13 114.28(17) . . ?
C11 C12 C13 123.74(18) . . ?
N4 C13 C14 122.0(2) . . ?
N4 C13 C12 114.52(16) . . ?
C14 C13 C12 123.5(2) . . ?
C13 C14 C15 117.8(2) . . ?
C13 C14 H14 121.1 . . ?
C15 C14 H14 121.1 . . ?
C16 C15 C14 120.2(2) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 119.3(2) . . ?
C15 C16 H16 120.3 . . ?
C17 C16 H16 120.3 . . ?
N4 C17 C16 121.3(2) . . ?
N4 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
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 O1 1.9467(13) . ?
Cu1 O3 1.9654(15) 4_566 ?
Cu1 N4 1.9780(16) . ?
Cu1 N3 2.0098(18) . ?
Cu1 N1 2.4254(16) . ?
Cu2 O6 1.9618(14) 3_665 ?
Cu2 O6 1.9618(14) . ?
Cu2 N2 1.9622(15) . ?
Cu2 N2 1.9622(15) 3_665 ?
O1 C1 1.261(2) . ?
O2 C1 1.225(2) . ?
O3 C6 1.275(3) . ?
O3 Cu1 1.9655(15) 4_565 ?
O4 C6 1.218(3) . ?
O5 C7 1.227(2) . ?
O6 C7 1.279(2) . ?
O7 H1W 0.8334 . ?
O7 H2W 0.8478 . ?
N1 C3 1.339(2) . ?
N1 C2 1.343(2) . ?
N2 C4 1.329(2) . ?
N2 C5 1.334(2) . ?
N3 C8 1.341(3) . ?
N3 C12 1.346(2) . ?
N4 C17 1.335(3) . ?
N4 C13 1.349(3) . ?
C1 C2 1.516(3) . ?
C2 C5 1.378(3) . ?
C3 C4 1.401(3) . ?
C3 C6 1.533(2) . ?
C4 C7 1.522(2) . ?
C5 H5 0.9300 . ?
C8 C9 1.374(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.379(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.384(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.388(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.475(3) . ?
C13 C14 1.382(3) . ?
C14 C15 1.386(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.361(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.383(3) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
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
O7 H1W O4 0.83 2.15 2.964(2) 166.2 1_455
O7 H2W O2 0.85 2.12 2.925(2) 158.2 4_565
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
O3 Cu1 O1 C1 86.09(18) 4_566 . . . ?
N3 Cu1 O1 C1 -109.32(18) . . . . ?
N1 Cu1 O1 C1 -12.21(17) . . . . ?
N2 Cu2 O6 C7 -7.70(15) . . . . ?
N2 Cu2 O6 C7 172.30(15) 3_665 . . . ?
O1 Cu1 N1 C3 -166.4(2) . . . . ?
O3 Cu1 N1 C3 101.62(19) 4_566 . . . ?
N4 Cu1 N1 C3 7.6(2) . . . . ?
N3 Cu1 N1 C3 -74.8(2) . . . . ?
O1 Cu1 N1 C2 5.09(12) . . . . ?
O3 Cu1 N1 C2 -86.87(12) 4_566 . . . ?
N4 Cu1 N1 C2 179.08(12) . . . . ?
N3 Cu1 N1 C2 96.70(13) . . . . ?
O6 Cu2 N2 C4 -173.66(14) 3_665 . . . ?
O6 Cu2 N2 C4 6.34(14) . . . . ?
O6 Cu2 N2 C5 11.68(18) 3_665 . . . ?
O6 Cu2 N2 C5 -168.32(18) . . . . ?
O1 Cu1 N3 C8 -6.99(19) . . . . ?
O3 Cu1 N3 C8 108.2(2) 4_566 . . . ?
N4 Cu1 N3 C8 175.74(19) . . . . ?
N1 Cu1 N3 C8 -83.88(18) . . . . ?
O1 Cu1 N3 C12 -179.32(14) . . . . ?
O3 Cu1 N3 C12 -64.1(3) 4_566 . . . ?
N4 Cu1 N3 C12 3.41(14) . . . . ?
N1 Cu1 N3 C12 103.78(14) . . . . ?
O3 Cu1 N4 C17 -18.69(17) 4_566 . . . ?
N3 Cu1 N4 C17 177.03(18) . . . . ?
N1 Cu1 N4 C17 80.92(17) . . . . ?
O3 Cu1 N4 C13 164.45(14) 4_566 . . . ?
N3 Cu1 N4 C13 0.17(14) . . . . ?
N1 Cu1 N4 C13 -95.94(14) . . . . ?
Cu1 O1 C1 O2 -165.7(2) . . . . ?
Cu1 O1 C1 C2 16.7(3) . . . . ?
C3 N1 C2 C5 -1.8(3) . . . . ?
Cu1 N1 C2 C5 -175.28(17) . . . . ?
C3 N1 C2 C1 174.32(18) . . . . ?
Cu1 N1 C2 C1 0.8(2) . . . . ?
O2 C1 C2 N1 171.9(2) . . . . ?
O1 C1 C2 N1 -10.4(3) . . . . ?
O2 C1 C2 C5 -11.9(3) . . . . ?
O1 C1 C2 C5 165.8(2) . . . . ?
C2 N1 C3 C4 -1.7(3) . . . . ?
Cu1 N1 C3 C4 168.91(14) . . . . ?
C2 N1 C3 C6 178.91(17) . . . . ?
Cu1 N1 C3 C6 -10.5(3) . . . . ?
C5 N2 C4 C3 -3.3(3) . . . . ?
Cu2 N2 C4 C3 -178.34(14) . . . . ?
C5 N2 C4 C7 170.77(17) . . . . ?
Cu2 N2 C4 C7 -4.3(2) . . . . ?
N1 C3 C4 N2 4.3(3) . . . . ?
C6 C3 C4 N2 -176.35(18) . . . . ?
N1 C3 C4 C7 -168.99(18) . . . . ?
C6 C3 C4 C7 10.3(3) . . . . ?
C4 N2 C5 C2 -0.2(3) . . . . ?
Cu2 N2 C5 C2 174.19(15) . . . . ?
N1 C2 C5 N2 2.8(3) . . . . ?
C1 C2 C5 N2 -173.24(18) . . . . ?
Cu1 O3 C6 O4 -123.7(2) 4_565 . . . ?
Cu1 O3 C6 C3 62.4(2) 4_565 . . . ?
N1 C3 C6 O4 -82.3(2) . . . . ?
C4 C3 C6 O4 98.3(2) . . . . ?
N1 C3 C6 O3 92.2(2) . . . . ?
C4 C3 C6 O3 -87.1(2) . . . . ?
Cu2 O6 C7 O5 -175.40(17) . . . . ?
Cu2 O6 C7 C4 7.3(2) . . . . ?
N2 C4 C7 O5 -179.52(18) . . . . ?
C3 C4 C7 O5 -5.8(3) . . . . ?
N2 C4 C7 O6 -2.0(2) . . . . ?
C3 C4 C7 O6 171.69(19) . . . . ?
C12 N3 C8 C9 0.4(3) . . . . ?
Cu1 N3 C8 C9 -171.59(18) . . . . ?
N3 C8 C9 C10 1.3(4) . . . . ?
C8 C9 C10 C11 -2.6(4) . . . . ?
C9 C10 C11 C12 2.1(3) . . . . ?
C8 N3 C12 C11 -0.9(3) . . . . ?
Cu1 N3 C12 C11 172.07(16) . . . . ?
C8 N3 C12 C13 -179.03(18) . . . . ?
Cu1 N3 C12 C13 -6.1(2) . . . . ?
C10 C11 C12 N3 -0.4(3) . . . . ?
C10 C11 C12 C13 177.6(2) . . . . ?
C17 N4 C13 C14 0.1(3) . . . . ?
Cu1 N4 C13 C14 177.18(17) . . . . ?
C17 N4 C13 C12 179.54(18) . . . . ?
Cu1 N4 C13 C12 -3.4(2) . . . . ?
N3 C12 C13 N4 6.3(3) . . . . ?
C11 C12 C13 N4 -171.83(19) . . . . ?
N3 C12 C13 C14 -174.3(2) . . . . ?
C11 C12 C13 C14 7.6(3) . . . . ?
N4 C13 C14 C15 0.2(3) . . . . ?
C12 C13 C14 C15 -179.1(2) . . . . ?
C13 C14 C15 C16 -1.0(4) . . . . ?
C14 C15 C16 C17 1.4(4) . . . . ?
C13 N4 C17 C16 0.3(3) . . . . ?
Cu1 N4 C17 C16 -176.42(17) . . . . ?
C15 C16 C17 N4 -1.1(4) . . . . ?
