#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/37/2213799.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_2213799
loop_
_publ_author_name
'Wen-Zhi Zhang'
_publ_section_title
;catena-Poly[[[aqua(pyrazino[2,3-f][1,10]phenanthroline)copper(II)]-μ-benzene-1,3-dicarboxylato]
 N,N-dimethylacetamide monohydrate]
;
_journal_coeditor_code           HB2408
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1692
_journal_page_last               m1693
_journal_paper_doi               10.1107/S1600536807023082
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Cu (C8 H4 O4) (C14 H8 N4) (H2 O)], C4 H9 N O, H2 O'
_chemical_formula_moiety         'C22 H14 Cu N4 O5, C4 H9 N O, H2 O'
_chemical_formula_sum            'C26 H25 Cu N5 O7'
_chemical_formula_weight         583.05
_chemical_name_systematic
;
catena-Poly[[[aqua(pyrazino[2,3-f][1,10]phenanthroline)copper(II)]-μ-
benzene-1,3-dicarboxylato] N,N-dimethylacetamide monohydrate]
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/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                 95.00(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.829(3)
_cell_length_b                   7.2111(14)
_cell_length_c                   23.976(5)
_cell_measurement_reflns_used    17473
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.21
_cell_volume                     2554.1(9)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_sigmaI/netI    0.0504
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            23862
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.14
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.911
_exptl_absorpt_correction_T_max  0.766
_exptl_absorpt_correction_T_min  0.733
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1204
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.090
_refine_diff_density_min         -0.432
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         5813
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0945
_refine_ls_R_factor_gt           0.0675
_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)+(0.0676P)²+7.6293P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1708
_refine_ls_wR_factor_ref         0.1838
_reflns_number_gt                4102
_reflns_number_total             5813
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb2408.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2213799
_cod_database_fobs_code          2213799
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_type_symbol
_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
C C1 0.4129(3) 0.2052(8) 0.5417(2) 0.0440(12) Uani d . 1
H H1 0.4376 0.1590 0.5759 0.053 Uiso calc R 1
C C2 0.4719(3) 0.2530(8) 0.5017(2) 0.0497(13) Uani d . 1
H H2 0.5342 0.2429 0.5097 0.060 Uiso calc R 1
C C3 0.4370(3) 0.3140(7) 0.4510(2) 0.0440(11) Uani d . 1
H H3 0.4752 0.3432 0.4235 0.053 Uiso calc R 1
C C4 0.3426(3) 0.3333(6) 0.43985(18) 0.0357(10) Uani d . 1
C C5 0.2887(3) 0.2852(6) 0.48253(17) 0.0314(9) Uani d . 1
C C6 0.1916(3) 0.2943(6) 0.47436(17) 0.0297(9) Uani d . 1
C C7 0.0563(3) 0.2370(7) 0.5113(2) 0.0424(11) Uani d . 1
H H7 0.0246 0.1983 0.5411 0.051 Uiso calc R 1
C C8 0.0072(3) 0.2930(8) 0.4617(2) 0.0475(12) Uani d . 1
H H8 -0.0558 0.2909 0.4587 0.057 Uiso calc R 1
C C9 0.0525(3) 0.3505(7) 0.4178(2) 0.0422(11) Uani d . 1
H H9 0.0208 0.3879 0.3845 0.051 Uiso calc R 1
C C10 0.1472(3) 0.3528(6) 0.42319(18) 0.0339(9) Uani d . 1
C C11 0.2981(3) 0.3891(6) 0.38611(18) 0.0376(10) Uani d . 1
C C12 0.2044(3) 0.4006(6) 0.37806(17) 0.0346(10) Uani d . 1
C C13 0.2132(4) 0.4844(7) 0.2878(2) 0.0522(14) Uani d . 1
H H13 0.1863 0.5186 0.2528 0.063 Uiso calc R 1
C C14 0.3063(5) 0.4713(8) 0.2957(2) 0.0570(15) Uani d . 1
H H14 0.3395 0.4941 0.2652 0.068 Uiso calc R 1
C C15 0.3677(3) 0.1853(8) 0.67698(17) 0.0414(12) Uani d . 1
C C16 0.4361(3) 0.0762(7) 0.71521(17) 0.0361(10) Uani d . 1
C C17 0.5000 0.1725(9) 0.7500 0.0340(13) Uani d S 1
H H17 0.5000 0.3015 0.7500 0.041 Uiso calc SR 1
C C18 0.4360(3) -0.1149(8) 0.7155(2) 0.0456(12) Uani d . 1
H H18 0.3931 -0.1798 0.6925 0.055 Uiso calc R 1
C C19 0.5000 -0.2104(12) 0.7500 0.058(2) Uani d S 1
H H19 0.5000 -0.3394 0.7500 0.070 Uiso calc SR 1
C C20 0.0931(3) 0.2029(7) 0.66650(17) 0.0352(10) Uani d . 1
C C21 0.0441(3) 0.0973(6) 0.70954(16) 0.0319(9) Uani d . 1
C C22 0.0000 0.1949(9) 0.7500 0.0318(13) Uani d S 1
H H22 0.0000 0.3239 0.7500 0.038 Uiso calc SR 1
C C23 0.0432(3) -0.0947(7) 0.71019(19) 0.0407(11) Uani d . 1
H H23 0.0721 -0.1597 0.6834 0.049 Uiso calc R 1
C C24 0.0000 -0.1916(10) 0.7500 0.0461(17) Uani d S 1
H H24 0.0000 -0.3206 0.7500 0.055 Uiso calc SR 1
C C25 0.2265(4) -0.0370(9) 0.3096(2) 0.0595(16) Uani d . 1
H H25A 0.2479 0.0777 0.2953 0.089 Uiso calc R 1
H H25B 0.1640 -0.0243 0.3165 0.089 Uiso calc R 1
H H25C 0.2326 -0.1338 0.2827 0.089 Uiso calc R 1
C C26 0.3805(4) -0.0846(9) 0.3637(2) 0.0552(14) Uani d . 1
H H26A 0.3996 -0.0077 0.3343 0.083 Uiso calc R 1
H H26B 0.4014 -0.2091 0.3589 0.083 Uiso calc R 1
H H26C 0.4055 -0.0376 0.3992 0.083 Uiso calc R 1
C C27 0.2456(5) -0.1394(8) 0.4071(3) 0.0586(15) Uani d . 1
C C28 0.1422(3) -0.1422(8) 0.4065(3) 0.0530(13) Uani d . 1
H H28A 0.1174 -0.2215 0.3768 0.080 Uiso calc R 1
H H28B 0.1191 -0.0188 0.4005 0.080 Uiso calc R 1
H H28C 0.1253 -0.1880 0.4417 0.080 Uiso calc R 1
N N1 0.1455(2) 0.2367(5) 0.51787(14) 0.0328(8) Uani d . 1
N N2 0.3234(2) 0.2223(6) 0.53358(15) 0.0347(8) Uani d . 1
N N3 0.3510(3) 0.4285(6) 0.34392(18) 0.0497(11) Uani d . 1
N N4 0.1615(3) 0.4498(6) 0.32826(16) 0.0465(10) Uani d . 1
N N5 0.2799(3) -0.0837(7) 0.36185(19) 0.0558(12) Uani d . 1
O O1 0.3691(3) 0.3545(6) 0.67766(17) 0.0612(11) Uani d . 1
O O2 0.3140(2) 0.0834(6) 0.64574(14) 0.0533(10) Uani d . 1
O O1W 0.2181(3) -0.1484(5) 0.55112(14) 0.0475(9) Uani d D 1
H HW11 0.241(4) -0.181(7) 0.5213(13) 0.064(19) Uiso d D 1
H HW12 0.234(3) -0.239(5) 0.5731(15) 0.044(15) Uiso d D 1
O O3 0.1262(2) 0.1001(6) 0.63021(13) 0.0490(9) Uani d . 1
O O2W 0.2320(3) 0.5306(7) 0.61437(18) 0.0654(12) Uani d D 1
H HW21 0.186(3) 0.510(12) 0.632(3) 0.11(3) Uiso d D 1
H HW22 0.276(3) 0.545(7) 0.640(3) 0.14(4) Uiso d D 1
O O4 0.0964(3) 0.3738(5) 0.66852(15) 0.0518(9) Uani d . 1
O O5 0.2951(3) -0.1872(6) 0.45047(14) 0.0563(10) Uani d . 1
Cu Cu1 0.22665(4) 0.15296(9) 0.58553(2) 0.03622(19) Uani d . 1
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N2 C1 C2 . . 123.5(5) ?
N2 C1 H1 . . 118.3 ?
C2 C1 H1 . . 118.3 ?
C3 C2 C1 . . 119.0(5) ?
C3 C2 H2 . . 120.5 ?
C1 C2 H2 . . 120.5 ?
C2 C3 C4 . . 119.9(4) ?
C2 C3 H3 . . 120.0 ?
C4 C3 H3 . . 120.0 ?
C5 C4 C3 . . 117.3(4) ?
C5 C4 C11 . . 118.3(4) ?
C3 C4 C11 . . 124.3(4) ?
N2 C5 C4 . . 123.0(4) ?
N2 C5 C6 . . 115.6(4) ?
C4 C5 C6 . . 121.3(4) ?
N1 C6 C10 . . 122.2(4) ?
N1 C6 C5 . . 116.5(4) ?
C10 C6 C5 . . 121.3(4) ?
N1 C7 C8 . . 123.0(4) ?
N1 C7 H7 . . 118.5 ?
C8 C7 H7 . . 118.5 ?
C9 C8 C7 . . 119.3(4) ?
C9 C8 H8 . . 120.3 ?
C7 C8 H8 . . 120.3 ?
C8 C9 C10 . . 119.4(4) ?
C8 C9 H9 . . 120.3 ?
C10 C9 H9 . . 120.3 ?
C9 C10 C6 . . 117.9(4) ?
C9 C10 C12 . . 124.9(4) ?
C6 C10 C12 . . 117.1(4) ?
N3 C11 C12 . . 121.2(4) ?
N3 C11 C4 . . 118.0(4) ?
C12 C11 C4 . . 120.8(4) ?
N4 C12 C11 . . 121.8(4) ?
N4 C12 C10 . . 117.0(4) ?
C11 C12 C10 . . 121.1(4) ?
N4 C13 C14 . . 121.8(5) ?
N4 C13 H13 . . 119.1 ?
C14 C13 H13 . . 119.1 ?
N3 C14 C13 . . 123.8(5) ?
N3 C14 H14 . . 118.1 ?
C13 C14 H14 . . 118.1 ?
O1 C15 O2 . . 126.3(5) ?
O1 C15 C16 . . 119.9(4) ?
O2 C15 C16 . . 113.8(5) ?
C18 C16 C17 . . 119.8(5) ?
C18 C16 C15 . . 121.2(4) ?
C17 C16 C15 . . 119.0(5) ?
C16 C17 C16 . 2_656 120.2(6) ?
C16 C17 H17 . . 119.9 ?
C16 C17 H17 2_656 . 119.9 ?
C16 C18 C19 . . 119.9(5) ?
C16 C18 H18 . . 120.0 ?
C19 C18 H18 . . 120.0 ?
C18 C19 C18 2_656 . 120.4(8) ?
C18 C19 H19 2_656 . 119.8 ?
C18 C19 H19 . . 119.8 ?
O4 C20 O3 . . 126.3(4) ?
O4 C20 C21 . . 119.6(4) ?
O3 C20 C21 . . 114.1(4) ?
C23 C21 C22 . . 119.2(4) ?
C23 C21 C20 . . 121.0(4) ?
C22 C21 C20 . . 119.8(4) ?
C21 C22 C21 . 2_556 119.9(6) ?
C21 C22 H22 . . 120.1 ?
C21 C22 H22 2_556 . 120.1 ?
C24 C23 C21 . . 121.2(5) ?
C24 C23 H23 . . 119.4 ?
C21 C23 H23 . . 119.4 ?
C23 C24 C23 2_556 . 119.4(6) ?
C23 C24 H24 2_556 . 120.3 ?
C23 C24 H24 . . 120.3 ?
N5 C25 H25A . . 109.5 ?
N5 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
N5 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
N5 C26 H26A . . 109.5 ?
N5 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
N5 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
O5 C27 N5 . . 121.8(6) ?
O5 C27 C28 . . 120.8(5) ?
N5 C27 C28 . . 117.3(6) ?
C27 C28 H28A . . 109.5 ?
C27 C28 H28B . . 109.5 ?
H28A C28 H28B . . 109.5 ?
C27 C28 H28C . . 109.5 ?
H28A C28 H28C . . 109.5 ?
H28B C28 H28C . . 109.5 ?
C7 N1 C6 . . 118.3(4) ?
C7 N1 Cu1 . . 128.0(3) ?
C6 N1 Cu1 . . 113.7(3) ?
C1 N2 C5 . . 117.2(4) ?
C1 N2 Cu1 . . 129.2(3) ?
C5 N2 Cu1 . . 113.5(3) ?
C14 N3 C11 . . 115.0(5) ?
C13 N4 C12 . . 116.3(5) ?
C27 N5 C25 . . 124.3(6) ?
C27 N5 C26 . . 115.9(5) ?
C25 N5 C26 . . 119.6(5) ?
C15 O2 Cu1 . . 129.5(4) ?
Cu1 O1W HW11 . . 123(4) ?
Cu1 O1W HW12 . . 119(3) ?
HW11 O1W HW12 . . 101(3) ?
C20 O3 Cu1 . . 128.4(3) ?
HW21 O2W HW22 . . 105(3) ?
O2 Cu1 O3 . . 91.92(16) n
O2 Cu1 N1 . . 174.00(16) n
O3 Cu1 N1 . . 93.99(15) n
O2 Cu1 N2 . . 93.37(16) n
O3 Cu1 N2 . . 174.49(15) n
N1 Cu1 N2 . . 80.69(14) n
O2 Cu1 O1W . . 92.00(16) n
O3 Cu1 O1W . . 89.51(15) n
N1 Cu1 O1W . . 89.09(14) n
N2 Cu1 O1W . . 91.83(14) n
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
C1 N2 . 1.331(6) ?
C1 C2 . 1.397(7) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.351(7) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.408(7) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.396(6) ?
C4 C11 . 1.453(6) ?
C5 N2 . 1.363(5) ?
C5 C6 . 1.437(6) ?
C6 N1 . 1.361(5) ?
C6 C10 . 1.406(6) ?
C7 N1 . 1.318(6) ?
C7 C8 . 1.400(7) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.362(7) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.399(7) ?
C9 H9 . 0.9300 ?
C10 C12 . 1.473(6) ?
C11 N3 . 1.363(6) ?
C11 C12 . 1.388(7) ?
C12 N4 . 1.351(6) ?
C13 N4 . 1.311(7) ?
C13 C14 . 1.381(9) ?
C13 H13 . 0.9300 ?
C14 N3 . 1.318(7) ?
C14 H14 . 0.9300 ?
C15 O1 . 1.221(7) ?
C15 O2 . 1.277(6) ?
C15 C16 . 1.525(7) ?
C16 C18 . 1.378(7) ?
C16 C17 . 1.392(6) ?
C17 C16 2_656 1.392(6) ?
C17 H17 . 0.9300 ?
C18 C19 . 1.387(7) ?
C18 H18 . 0.9300 ?
C19 C18 2_656 1.387(7) ?
C19 H19 . 0.9300 ?
C20 O4 . 1.234(6) ?
C20 O3 . 1.274(6) ?
C20 C21 . 1.518(6) ?
C21 C23 . 1.385(7) ?
C21 C22 . 1.405(5) ?
C22 C21 2_556 1.405(5) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.384(6) ?
C23 H23 . 0.9300 ?
C24 C23 2_556 1.384(6) ?
C24 H24 . 0.9300 ?
C25 N5 . 1.462(7) ?
C25 H25A . 0.9600 ?
C25 H25B . 0.9600 ?
C25 H25C . 0.9600 ?
C26 N5 . 1.489(7) ?
C26 H26A . 0.9600 ?
C26 H26B . 0.9600 ?
C26 H26C . 0.9600 ?
C27 O5 . 1.267(7) ?
C27 N5 . 1.302(7) ?
C27 C28 . 1.531(8) ?
C28 H28A . 0.9600 ?
C28 H28B . 0.9600 ?
C28 H28C . 0.9600 ?
Cu1 N1 . 2.026(4) y
Cu1 N2 . 2.043(4) y
Cu1 O2 . 1.920(3) y
Cu1 O3 . 1.947(3) y
Cu1 O1W . 2.324(4) y
O1W HW11 . 0.85(4) ?
O1W HW12 . 0.86(4) ?
O2W HW21 . 0.85(5) ?
O2W HW22 . 0.86(6) ?
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
O1W HW12 O2W 1_545 0.86(4) 1.93(2) 2.765(6) 162(5)
O1W HW11 O5 . 0.85(4) 1.94(2) 2.772(5) 165(5)
O2W HW22 O1 . 0.86(6) 2.10(4) 2.740(6) 131(4)
O2W HW21 O4 . 0.85(4) 1.92(4) 2.732(6) 159(9)
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_4
_geom_torsion
N2 C1 C2 C3 . -2.4(9)
C1 C2 C3 C4 . 1.7(8)
C2 C3 C4 C5 . -0.7(7)
C2 C3 C4 C11 . -177.0(5)
C3 C4 C5 N2 . 0.2(7)
C11 C4 C5 N2 . 176.7(4)
C3 C4 C5 C6 . -177.9(4)
C11 C4 C5 C6 . -1.4(7)
N2 C5 C6 N1 . -1.0(6)
C4 C5 C6 N1 . 177.2(4)
N2 C5 C6 C10 . -178.6(4)
C4 C5 C6 C10 . -0.3(7)
N1 C7 C8 C9 . -0.1(8)
C7 C8 C9 C10 . -0.1(8)
C8 C9 C10 C6 . 0.2(7)
C8 C9 C10 C12 . 176.0(5)
N1 C6 C10 C9 . 0.0(7)
C5 C6 C10 C9 . 177.4(4)
N1 C6 C10 C12 . -176.2(4)
C5 C6 C10 C12 . 1.2(6)
C5 C4 C11 N3 . -177.4(4)
C3 C4 C11 N3 . -1.2(7)
C5 C4 C11 C12 . 2.2(7)
C3 C4 C11 C12 . 178.4(5)
N3 C11 C12 N4 . 0.5(7)
C4 C11 C12 N4 . -179.1(4)
N3 C11 C12 C10 . 178.2(4)
C4 C11 C12 C10 . -1.3(7)
C9 C10 C12 N4 . 1.6(7)
C6 C10 C12 N4 . 177.5(4)
C9 C10 C12 C11 . -176.2(5)
C6 C10 C12 C11 . -0.4(6)
N4 C13 C14 N3 . -1.8(9)
O1 C15 C16 C18 . 179.8(5)
O2 C15 C16 C18 . -1.4(6)
O1 C15 C16 C17 . -0.7(6)
O2 C15 C16 C17 . 178.0(4)
C18 C16 C17 C16 2_656 0.3(3)
C15 C16 C17 C16 2_656 -179.2(4)
C17 C16 C18 C19 . -0.5(7)
C15 C16 C18 C19 . 178.9(4)
C16 C18 C19 C18 2_656 0.3(3)
O4 C20 C21 C23 . -176.6(5)
O3 C20 C21 C23 . 4.6(6)
O4 C20 C21 C22 . 2.4(6)
O3 C20 C21 C22 . -176.4(3)
C23 C21 C22 C21 2_556 0.1(3)
C20 C21 C22 C21 2_556 -178.9(4)
C22 C21 C23 C24 . -0.2(6)
C20 C21 C23 C24 . 178.8(3)
C21 C23 C24 C23 2_556 0.1(3)
C8 C7 N1 C6 . 0.3(7)
C8 C7 N1 Cu1 . -177.9(4)
C10 C6 N1 C7 . -0.2(6)
C5 C6 N1 C7 . -177.8(4)
C10 C6 N1 Cu1 . 178.2(3)
C5 C6 N1 Cu1 . 0.7(5)
C2 C1 N2 C5 . 1.9(8)
C2 C1 N2 Cu1 . 177.8(4)
C4 C5 N2 C1 . -0.8(7)
C6 C5 N2 C1 . 177.4(4)
C4 C5 N2 Cu1 . -177.4(3)
C6 C5 N2 Cu1 . 0.8(5)
C13 C14 N3 C11 . 2.7(8)
C12 C11 N3 C14 . -2.1(7)
C4 C11 N3 C14 . 177.5(5)
C14 C13 N4 C12 . -0.1(8)
C11 C12 N4 C13 . 0.6(7)
C10 C12 N4 C13 . -177.2(4)
O5 C27 N5 C25 . 176.3(5)
C28 C27 N5 C25 . -4.6(8)
O5 C27 N5 C26 . 1.5(8)
C28 C27 N5 C26 . -179.4(5)
O1 C15 O2 Cu1 . 6.5(8)
C16 C15 O2 Cu1 . -172.2(3)
O4 C20 O3 Cu1 . 25.4(7)
C21 C20 O3 Cu1 . -156.0(3)
C15 O2 Cu1 O3 . -107.8(4)
C15 O2 Cu1 N2 . 70.6(4)
C15 O2 Cu1 O1W . 162.6(4)
C20 O3 Cu1 O2 . 82.1(4)
C20 O3 Cu1 N1 . -96.8(4)
C20 O3 Cu1 O1W . 174.1(4)
C7 N1 Cu1 O3 . -3.4(4)
C6 N1 Cu1 O3 . 178.4(3)
C7 N1 Cu1 N2 . 178.1(4)
C6 N1 Cu1 N2 . -0.2(3)
C7 N1 Cu1 O1W . 86.1(4)
C6 N1 Cu1 O1W . -92.2(3)
C1 N2 Cu1 O2 . 4.4(5)
C5 N2 Cu1 O2 . -179.4(3)
C1 N2 Cu1 N1 . -176.4(5)
C5 N2 Cu1 N1 . -0.3(3)
C1 N2 Cu1 O1W . -87.7(4)
C5 N2 Cu1 O1W . 88.4(3)
