#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/45/4304567.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_4304567
loop_
_publ_author_name
'Danfeng Weng'
'Weihua Mu'
'Xiangjun Zheng'
'Decai Fang'
'Linpei Jin'
_publ_section_title
;
Hydrothermal In Situ Synthesis and Characterization of Cu(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1249
_journal_page_last               1251
_journal_paper_doi               10.1021/ic702107e
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C17 H14 Cu1.5 N5 O8'
_chemical_formula_weight         511.64
_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                100.519(3)
_cell_angle_beta                 107.988(3)
_cell_angle_gamma                106.490(3)
_cell_formula_units_Z            2
_cell_length_a                   8.2515(17)
_cell_length_b                   10.377(2)
_cell_length_c                   12.503(2)
_cell_measurement_reflns_used    2144
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.30
_cell_measurement_theta_min      2.79
_cell_volume                     932.5(3)
_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      294(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_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  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0423
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5144
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    1.787
_exptl_absorpt_correction_T_max  0.836
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             517
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.906
_refine_diff_density_min         -0.547
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         3713
_refine_ls_number_restraints     167
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0473
_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)+(0.0703P)²+1.0325P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1414
_reflns_number_gt                2533
_reflns_number_total             3713
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702107e-file003_2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C17 H14 Cu1.50 N5 O8'
_cod_database_code               4304567
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.5000 0.0000 0.0000 0.0516(3) Uani 1 2 d S . .
Cu2 Cu 0.65456(9) 0.32751(6) 0.45035(5) 0.0463(2) Uani 1 1 d . . .
N1 N 0.8666(6) 0.4727(5) 0.2224(4) 0.0539(11) Uani 1 1 d . . .
N2 N 0.6572(6) 0.2003(5) 0.0808(3) 0.0486(11) Uani 1 1 d . . .
N3 N 0.7206(6) 0.5065(4) 0.5766(3) 0.0450(10) Uani 1 1 d . . .
N4 N 0.4919(6) 0.2475(4) 0.5305(4) 0.0484(10) Uani 1 1 d . . .
O1 O 0.7830(5) 0.4293(4) 0.3705(3) 0.0526(9) Uani 1 1 d . . .
O2 O 0.5496(5) 0.1504(4) 0.3265(3) 0.0545(9) Uani 1 1 d . . .
O3 O 0.4825(5) 0.0055(4) 0.1537(3) 0.0563(10) Uani 1 1 d . . .
O4 O 0.8900(6) 0.2765(4) 0.5694(3) 0.0568(10) Uani 1 1 d D . .
H4A H 0.969(7) 0.357(3) 0.609(5) 0.085 Uiso 1 1 d D . .
H4B H 0.860(9) 0.239(7) 0.619(5) 0.085 Uiso 1 1 d D . .
C1 C 0.6655(7) 0.2411(5) 0.1920(4) 0.0417(11) Uani 1 1 d . . .
C2 C 0.7707(7) 0.3811(5) 0.2648(4) 0.0434(11) Uani 1 1 d . . .
C3 C 0.7502(9) 0.2922(7) 0.0404(5) 0.0614(15) Uani 1 1 d . . .
H3 H 0.7451 0.2657 -0.0361 0.074 Uiso 1 1 calc R . .
C4 C 0.8556(9) 0.4286(6) 0.1135(5) 0.0618(15) Uani 1 1 d . . .
H4 H 0.9214 0.4918 0.0843 0.074 Uiso 1 1 calc R . .
C5 C 0.5607(7) 0.1271(5) 0.2268(4) 0.0431(12) Uani 1 1 d . . .
C6 C 0.8352(8) 0.6352(5) 0.5949(5) 0.0513(13) Uani 1 1 d . . .
H6 H 0.8867 0.6522 0.5400 0.062 Uiso 1 1 calc R . .
C7 C 0.8806(8) 0.7457(6) 0.6950(5) 0.0591(15) Uani 1 1 d . . .
H7 H 0.9582 0.8355 0.7049 0.071 Uiso 1 1 calc R . .
C8 C 0.8094(9) 0.7205(6) 0.7784(5) 0.0615(16) Uani 1 1 d . . .
H8 H 0.8416 0.7928 0.8460 0.074 Uiso 1 1 calc R . .
C9 C 0.6886(8) 0.5860(6) 0.7616(5) 0.0542(14) Uani 1 1 d . . .
C10 C 0.6042(9) 0.5466(7) 0.8413(5) 0.0656(17) Uani 1 1 d . . .
H10 H 0.6335 0.6127 0.9120 0.079 Uiso 1 1 calc R . .
C11 C 0.4841(10) 0.4163(8) 0.8158(5) 0.0676(17) Uani 1 1 d . . .
H11 H 0.4302 0.3951 0.8687 0.081 Uiso 1 1 calc R . .
C12 C 0.4366(8) 0.3094(6) 0.7100(5) 0.0578(14) Uani 1 1 d . . .
C13 C 0.3085(9) 0.1711(7) 0.6751(6) 0.0712(18) Uani 1 1 d . . .
H13 H 0.2459 0.1437 0.7224 0.085 Uiso 1 1 calc R . .
C14 C 0.2764(10) 0.0777(7) 0.5718(7) 0.0741(18) Uani 1 1 d . . .
H14 H 0.1910 -0.0131 0.5483 0.089 Uiso 1 1 calc R . .
C15 C 0.3718(8) 0.1185(6) 0.5019(5) 0.0588(14) Uani 1 1 d . . .
H15 H 0.3506 0.0530 0.4327 0.071 Uiso 1 1 calc R . .
C16 C 0.5229(7) 0.3430(6) 0.6327(4) 0.0474(12) Uani 1 1 d . . .
C17 C 0.6473(7) 0.4811(5) 0.6576(4) 0.0445(12) Uani 1 1 d . . .
N5 N -0.1214(18) 0.8998(15) 0.0828(13) 0.097(4) Uani 0.487(6) 1 d PDU A 1
O5 O -0.1996(14) 0.9717(11) 0.0410(11) 0.079(3) Uani 0.487(6) 1 d PDU A 1
O6 O -0.181(3) 0.7933(16) 0.1020(17) 0.184(6) Uani 0.487(6) 1 d PDU A 1
O7 O 0.0272(18) 0.9155(18) 0.0771(15) 0.169(6) Uani 0.487(6) 1 d PDU A 1
O8 O 0.2356(15) 0.8305(12) 0.2623(10) 0.073(3) Uani 0.487(6) 1 d PU A 1
N5' N 0.0603(14) 0.8044(11) 0.1846(8) 0.072(3) Uani 0.513(6) 1 d PDU A 2
O5' O -0.0573(16) 0.7587(11) 0.0851(8) 0.101(3) Uani 0.513(6) 1 d PDU A 2
O6' O 0.0468(17) 0.8978(12) 0.2507(10) 0.131(5) Uani 0.513(6) 1 d PDU A 2
O7' O 0.1785(17) 0.7585(14) 0.2173(11) 0.097(4) Uani 0.513(6) 1 d PDU A 2
O8' O -0.254(2) 0.898(2) 0.0429(17) 0.145(5) Uani 0.513(6) 1 d PU A 2
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
O3 Cu1 O3 180.0 2_655 . ?
O3 Cu1 N2 96.98(16) 2_655 . ?
O3 Cu1 N2 83.02(16) . . ?
O3 Cu1 N2 83.02(16) 2_655 2_655 ?
O3 Cu1 N2 96.98(16) . 2_655 ?
N2 Cu1 N2 180.0 . 2_655 ?
O1 Cu2 O2 94.63(15) . . ?
O1 Cu2 N4 168.28(17) . . ?
O2 Cu2 N4 90.58(16) . . ?
O1 Cu2 N3 91.09(16) . . ?
O2 Cu2 N3 170.46(17) . . ?
N4 Cu2 N3 82.44(17) . . ?
O1 Cu2 O4 98.87(16) . . ?
O2 Cu2 O4 95.81(15) . . ?
N4 Cu2 O4 91.02(16) . . ?
N3 Cu2 O4 90.83(15) . . ?
C4 N1 C2 118.5(5) . . ?
C3 N2 C1 119.4(5) . . ?
C3 N2 Cu1 128.8(3) . . ?
C1 N2 Cu1 111.8(4) . . ?
C6 N3 C17 119.2(4) . . ?
C6 N3 Cu2 129.1(4) . . ?
C17 N3 Cu2 111.3(3) . . ?
C15 N4 C16 118.5(5) . . ?
C15 N4 Cu2 129.6(4) . . ?
C16 N4 Cu2 111.8(4) . . ?
C2 O1 Cu2 125.7(3) . . ?
C5 O2 Cu2 128.0(3) . . ?
C5 O3 Cu1 113.3(3) . . ?
Cu2 O4 H4A 102(5) . . ?
Cu2 O4 H4B 112(5) . . ?
H4A O4 H4B 106(6) . . ?
N2 C1 C2 120.7(5) . . ?
N2 C1 C5 113.7(4) . . ?
C2 C1 C5 125.6(4) . . ?
O1 C2 N1 116.4(4) . . ?
O1 C2 C1 124.6(5) . . ?
N1 C2 C1 119.0(4) . . ?
N2 C3 C4 119.4(5) . . ?
N2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
N1 C4 C3 123.0(5) . . ?
N1 C4 H4 118.5 . . ?
C3 C4 H4 118.5 . . ?
O2 C5 O3 121.0(5) . . ?
O2 C5 C1 121.1(4) . . ?
O3 C5 C1 117.9(4) . . ?
N3 C6 C7 121.6(5) . . ?
N3 C6 H6 119.2 . . ?
C7 C6 H6 119.2 . . ?
C8 C7 C6 119.6(5) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C7 C8 C9 120.0(5) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 C17 116.9(5) . . ?
C8 C9 C10 125.4(5) . . ?
C17 C9 C10 117.7(5) . . ?
C11 C10 C9 121.4(5) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 C12 122.0(6) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 H11 119.0 . . ?
C16 C12 C13 116.5(5) . . ?
C16 C12 C11 118.0(6) . . ?
C13 C12 C11 125.6(6) . . ?
C14 C13 C12 120.0(6) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 119.9(6) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
N4 C15 C14 122.2(6) . . ?
N4 C15 H15 118.9 . . ?
C14 C15 H15 118.9 . . ?
N4 C16 C12 123.0(5) . . ?
N4 C16 C17 116.5(5) . . ?
C12 C16 C17 120.5(5) . . ?
N3 C17 C9 122.6(5) . . ?
N3 C17 C16 117.0(4) . . ?
C9 C17 C16 120.4(5) . . ?
O6 N5 O5 129.5(13) . . ?
O6 N5 O7 111.1(12) . . ?
O5 N5 O7 116.5(12) . . ?
O7' N5' O6' 121.3(10) . . ?
O7' N5' O5' 123.4(10) . . ?
O6' N5' O5' 115.3(10) . . ?
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 O3 1.963(4) 2_655 ?
Cu1 O3 1.963(4) . ?
Cu1 N2 1.979(4) . ?
Cu1 N2 1.979(4) 2_655 ?
Cu2 O1 1.907(4) . ?
Cu2 O2 1.938(3) . ?
Cu2 N4 1.999(5) . ?
Cu2 N3 2.016(4) . ?
Cu2 O4 2.314(4) . ?
N1 C4 1.321(7) . ?
N1 C2 1.352(7) . ?
N2 C3 1.323(7) . ?
N2 C1 1.352(6) . ?
N3 C6 1.329(7) . ?
N3 C17 1.359(6) . ?
N4 C15 1.325(7) . ?
N4 C16 1.368(6) . ?
O1 C2 1.287(5) . ?
O2 C5 1.263(6) . ?
O3 C5 1.264(5) . ?
O4 H4A 0.84(5) . ?
O4 H4B 0.85(6) . ?
C1 C2 1.416(6) . ?
C1 C5 1.475(7) . ?
C3 C4 1.391(8) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C6 C7 1.401(7) . ?
C6 H6 0.9300 . ?
C7 C8 1.375(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.399(9) . ?
C8 H8 0.9300 . ?
C9 C17 1.410(7) . ?
C9 C10 1.436(8) . ?
C10 C11 1.341(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.426(8) . ?
C11 H11 0.9300 . ?
C12 C16 1.403(7) . ?
C12 C13 1.412(9) . ?
C13 C14 1.365(9) . ?
C13 H13 0.9300 . ?
C14 C15 1.391(8) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.417(8) . ?
N5 O6 1.176(10) . ?
N5 O5 1.206(9) . ?
N5 O7 1.215(10) . ?
N5' O7' 1.198(9) . ?
N5' O6' 1.209(9) . ?
N5' O5' 1.222(9) . ?
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
_geom_hbond_publ_flag
O4 H4A N1 0.845 2.213 2.986 152.01 2_766 no
O4 H4B O8_a 0.851 2.035 2.877 170.58 2_666 no
O4 H4B O7'_b 0.851 2.166 2.955 154.19 2_666 no
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 N2 C3 -4.0(5) 2_655 . . . ?
O3 Cu1 N2 C3 176.0(5) . . . . ?
N2 Cu1 N2 C3 -59(11) 2_655 . . . ?
O3 Cu1 N2 C1 176.6(3) 2_655 . . . ?
O3 Cu1 N2 C1 -3.4(3) . . . . ?
N2 Cu1 N2 C1 122(11) 2_655 . . . ?
O1 Cu2 N3 C6 -8.8(5) . . . . ?
O2 Cu2 N3 C6 -135.7(9) . . . . ?
N4 Cu2 N3 C6 -178.9(5) . . . . ?
O4 Cu2 N3 C6 90.1(5) . . . . ?
O1 Cu2 N3 C17 178.7(3) . . . . ?
O2 Cu2 N3 C17 51.7(11) . . . . ?
N4 Cu2 N3 C17 8.5(3) . . . . ?
O4 Cu2 N3 C17 -82.5(3) . . . . ?
O1 Cu2 N4 C15 119.3(8) . . . . ?
O2 Cu2 N4 C15 2.8(5) . . . . ?
N3 Cu2 N4 C15 176.3(5) . . . . ?
O4 Cu2 N4 C15 -93.0(5) . . . . ?
O1 Cu2 N4 C16 -64.7(9) . . . . ?
O2 Cu2 N4 C16 178.8(3) . . . . ?
N3 Cu2 N4 C16 -7.7(3) . . . . ?
O4 Cu2 N4 C16 83.0(3) . . . . ?
O2 Cu2 O1 C2 6.1(4) . . . . ?
N4 Cu2 O1 C2 -110.1(8) . . . . ?
N3 Cu2 O1 C2 -166.3(4) . . . . ?
O4 Cu2 O1 C2 102.7(4) . . . . ?
O1 Cu2 O2 C5 -5.0(4) . . . . ?
N4 Cu2 O2 C5 164.5(4) . . . . ?
N3 Cu2 O2 C5 121.7(9) . . . . ?
O4 Cu2 O2 C5 -104.4(4) . . . . ?
O3 Cu1 O3 C5 165(14) 2_655 . . . ?
N2 Cu1 O3 C5 5.0(4) . . . . ?
N2 Cu1 O3 C5 -175.0(4) 2_655 . . . ?
C3 N2 C1 C2 0.8(8) . . . . ?
Cu1 N2 C1 C2 -179.8(4) . . . . ?
C3 N2 C1 C5 -178.0(5) . . . . ?
Cu1 N2 C1 C5 1.4(5) . . . . ?
Cu2 O1 C2 N1 176.8(3) . . . . ?
Cu2 O1 C2 C1 -3.3(7) . . . . ?
C4 N1 C2 O1 -178.8(5) . . . . ?
C4 N1 C2 C1 1.3(8) . . . . ?
N2 C1 C2 O1 178.5(5) . . . . ?
C5 C1 C2 O1 -2.9(8) . . . . ?
N2 C1 C2 N1 -1.7(7) . . . . ?
C5 C1 C2 N1 177.0(5) . . . . ?
C1 N2 C3 C4 0.4(8) . . . . ?
Cu1 N2 C3 C4 -179.0(4) . . . . ?
C2 N1 C4 C3 -0.2(9) . . . . ?
N2 C3 C4 N1 -0.7(10) . . . . ?
Cu2 O2 C5 O3 -179.1(3) . . . . ?
Cu2 O2 C5 C1 1.1(7) . . . . ?
Cu1 O3 C5 O2 174.4(4) . . . . ?
Cu1 O3 C5 C1 -5.7(6) . . . . ?
N2 C1 C5 O2 -177.2(4) . . . . ?
C2 C1 C5 O2 4.0(8) . . . . ?
N2 C1 C5 O3 2.9(7) . . . . ?
C2 C1 C5 O3 -175.8(5) . . . . ?
C17 N3 C6 C7 -0.9(8) . . . . ?
Cu2 N3 C6 C7 -173.0(4) . . . . ?
N3 C6 C7 C8 1.9(9) . . . . ?
C6 C7 C8 C9 -1.8(9) . . . . ?
C7 C8 C9 C17 0.6(8) . . . . ?
C7 C8 C9 C10 -179.5(5) . . . . ?
C8 C9 C10 C11 177.3(6) . . . . ?
C17 C9 C10 C11 -2.8(9) . . . . ?
C9 C10 C11 C12 1.4(10) . . . . ?
C10 C11 C12 C16 1.4(9) . . . . ?
C10 C11 C12 C13 -178.3(6) . . . . ?
C16 C12 C13 C14 1.0(9) . . . . ?
C11 C12 C13 C14 -179.3(6) . . . . ?
C12 C13 C14 C15 0.8(10) . . . . ?
C16 N4 C15 C14 0.3(8) . . . . ?
Cu2 N4 C15 C14 176.1(5) . . . . ?
C13 C14 C15 N4 -1.5(10) . . . . ?
C15 N4 C16 C12 1.6(8) . . . . ?
Cu2 N4 C16 C12 -174.9(4) . . . . ?
C15 N4 C16 C17 -177.7(5) . . . . ?
Cu2 N4 C16 C17 5.7(6) . . . . ?
C13 C12 C16 N4 -2.2(8) . . . . ?
C11 C12 C16 N4 178.0(5) . . . . ?
C13 C12 C16 C17 177.1(5) . . . . ?
C11 C12 C16 C17 -2.7(8) . . . . ?
C6 N3 C17 C9 -0.3(7) . . . . ?
Cu2 N3 C17 C9 173.1(4) . . . . ?
C6 N3 C17 C16 178.7(5) . . . . ?
Cu2 N3 C17 C16 -7.9(5) . . . . ?
C8 C9 C17 N3 0.4(8) . . . . ?
C10 C9 C17 N3 -179.5(5) . . . . ?
C8 C9 C17 C16 -178.5(5) . . . . ?
C10 C9 C17 C16 1.6(8) . . . . ?
N4 C16 C17 N3 1.5(7) . . . . ?
C12 C16 C17 N3 -177.9(5) . . . . ?
N4 C16 C17 C9 -179.5(4) . . . . ?
C12 C16 C17 C9 1.2(8) . . . . ?
