#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/96/2219634.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_2219634
loop_
_publ_author_name
'Lü, Yuanqi'
_publ_section_title
;Poly[[(μ-3,4-dicarboxytetrahydrofuran-2,5-dicarboxylato-κ⁴O¹,O²,O⁵:O^2'^)(1,10-phenanthroline-κ²N,N')copper(II)]
 0.69-hydrate]
;
_journal_coeditor_code           IS2325
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1245
_journal_paper_doi               10.1107/S1600536808027918
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu (C8 H6 O9) (C12 H8 N2)] , 0.69H2 O'
_chemical_formula_moiety         'C20 H14 Cu N2 O9 , 0.69H2 O'
_chemical_formula_sum            'C20 H15.38 Cu N2 O9.69'
_chemical_formula_weight         502.30
_chemical_name_systematic
;
Poly[[(μ-3,4-dicarboxytetrahydrofuran-2,5-dicarboxylato-
κ⁴O¹,O²,O⁵:O^2'^)(1,10-
phenanthroline-κ²N,N')copper(II)] 0.69-hydrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.960(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9215(7)
_cell_length_b                   8.5454(5)
_cell_length_c                   17.5970(10)
_cell_measurement_reflns_used    6566
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.6
_cell_volume                     1942.78(19)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω 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  0.020
_diffrn_reflns_av_sigmaI/netI    0.015
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24533
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.9
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.189
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1023.6
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.91
_refine_diff_density_min         -0.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         4444
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.039
_refine_ls_R_factor_gt           0.034
_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)+(0.0625P)²+0.9393P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.099
_refine_ls_wR_factor_ref         0.104
_reflns_number_gt                3829
_reflns_number_total             4444
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            is2325.cif
_cod_data_source_block           I
_cod_original_cell_volume        1942.85(19)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2219634
_cod_database_fobs_code          2219634
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
Cu Cu1 0.871218(18) 0.24503(2) 0.184653(12) 0.02868(10) Uani d . 1
C C1 1.01853(16) 0.2951(2) 0.30370(12) 0.0349(4) Uani d . 1
C C2 1.03192(14) 0.1182(2) 0.30175(10) 0.0278(4) Uani d . 1
H H2 1.1041 0.0927 0.2907 0.033 Uiso calc R 1
C C3 1.00314(14) 0.0481(2) 0.37973(10) 0.0277(4) Uani d . 1
H H3A 0.9546 0.1204 0.4036 0.033 Uiso calc R 1
C C4 1.09486(16) 0.0275(2) 0.43410(11) 0.0345(4) Uani d . 1
C C5 0.94334(15) -0.1007(2) 0.35956(11) 0.0295(4) Uani d . 1
H H5 0.8924 -0.1258 0.3984 0.035 Uiso calc R 1
C C6 1.01493(19) -0.2386(2) 0.34529(14) 0.0381(5) Uani d . 1
C C7 0.89004(14) -0.0507(2) 0.28438(10) 0.0270(4) Uani d . 1
H H7 0.8764 -0.1442 0.2535 0.032 Uiso calc R 1
C C8 0.78735(14) 0.0374(2) 0.29592(10) 0.0272(4) Uani d . 1
O O1 0.95434(13) 0.36239(16) 0.26139(9) 0.0423(4) Uani d . 1
O O2 1.07474(14) 0.36491(17) 0.35212(10) 0.0516(4) Uani d . 1
O O3 1.15462(14) 0.15169(19) 0.44451(10) 0.0527(4) Uani d . 1
H H3 1.1322 0.2247 0.4189 0.063 Uiso calc R 1
O O4 1.11204(13) -0.09137(19) 0.46799(9) 0.0458(4) Uani d . 1
O O5 1.0856(2) -0.2330(2) 0.30242(14) 0.0725(7) Uani d . 1
O O6 0.98836(14) -0.36266(18) 0.38404(11) 0.0508(4) Uani d . 1
H H6 1.0209 -0.4387 0.3690 0.061 Uiso calc R 1
O O7 0.77478(11) 0.16687(17) 0.26127(8) 0.0361(3) Uani d . 1
O O8 0.72265(10) -0.02515(17) 0.33703(8) 0.0343(3) Uani d . 1
O O9 0.96504(10) 0.04507(15) 0.24653(7) 0.0271(3) Uani d . 1
N N1 0.80817(13) 0.1145(2) 0.09986(9) 0.0353(4) Uani d . 1
N N2 0.97214(14) 0.2981(2) 0.10238(11) 0.0397(4) Uani d . 1
C C9 0.72683(18) 0.0188(3) 0.10127(15) 0.0476(5) Uani d . 1
H H9 0.6918 0.0066 0.1466 0.057 Uiso calc R 1
C C10 0.6920(2) -0.0641(3) 0.03716(19) 0.0641(8) Uani d . 1
H H10 0.6352 -0.1305 0.0405 0.077 Uiso calc R 1
C C11 0.7409(3) -0.0473(3) -0.02927(18) 0.0666(8) Uani d . 1
H H11 0.7177 -0.1016 -0.0721 0.080 Uiso calc R 1
C C12 0.8263(2) 0.0516(3) -0.03391(13) 0.0585(8) Uani d . 1
C C13 0.8850(3) 0.0778(4) -0.10042(16) 0.0767(10) Uani d . 1
H H13 0.8647 0.0298 -0.1457 0.092 Uiso calc R 1
C C14 0.9682(3) 0.1693(4) -0.09929(15) 0.0776(12) Uani d . 1
H H14 1.0041 0.1835 -0.1441 0.093 Uiso calc R 1
C C15 1.0052(3) 0.2479(3) -0.03111(18) 0.0621(9) Uani d . 1
C C16 1.0919(3) 0.3406(4) -0.0257(2) 0.0772(11) Uani d . 1
H H16 1.1322 0.3564 -0.0684 0.093 Uiso calc R 1
C C17 1.1194(2) 0.4099(4) 0.0416(2) 0.0764(11) Uani d . 1
H H17 1.1789 0.4709 0.0452 0.092 Uiso calc R 1
C C18 1.05587(19) 0.3877(3) 0.10668(18) 0.0587(7) Uani d . 1
H H18 1.0735 0.4364 0.1523 0.070 Uiso calc R 1
C C19 0.9471(2) 0.2285(3) 0.03524(13) 0.0436(6) Uani d . 1
C C20 0.85840(18) 0.1310(3) 0.03349(11) 0.0406(5) Uani d . 1
O O10 0.2766(4) 0.0628(9) 0.2674(5) 0.152(2) Uani d PD 0.69
H H10A 0.254(7) 0.154(5) 0.250(6) 0.183 Uiso d PD 0.69
H H10B 0.252(7) -0.029(4) 0.265(6) 0.183 Uiso d PD 0.69
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
O7 Cu1 O1 . . 92.69(7) n
O7 Cu1 N2 . . 173.13(7) n
O1 Cu1 N2 . . 91.47(8) n
O7 Cu1 N1 . . 93.81(7) n
O1 Cu1 N1 . . 170.96(7) n
N2 Cu1 N1 . . 81.48(8) n
O7 Cu1 O8 . 2_655 93.68(5) ?
O1 Cu1 O8 . 2_655 87.70(6) ?
N2 Cu1 O8 . 2_655 91.94(6) ?
N1 Cu1 O8 . 2_655 98.13(6) ?
O7 Cu1 O9 . . 76.32(5) n
O1 Cu1 O9 . . 77.47(5) n
N2 Cu1 O9 . . 99.28(6) n
N1 Cu1 O9 . . 97.98(6) n
O8 Cu1 O9 2_655 . 161.54(5) ?
O1 C1 O2 . . 123.73(19) ?
O1 C1 C2 . . 121.33(18) ?
O2 C1 C2 . . 114.90(17) ?
O9 C2 C1 . . 112.38(15) ?
O9 C2 C3 . . 106.34(14) ?
C1 C2 C3 . . 109.59(15) ?
O9 C2 H2 . . 109.5 ?
C1 C2 H2 . . 109.5 ?
C3 C2 H2 . . 109.5 ?
C4 C3 C5 . . 115.85(15) ?
C4 C3 C2 . . 113.96(16) ?
C5 C3 C2 . . 104.14(14) ?
C4 C3 H3A . . 107.5 ?
C5 C3 H3A . . 107.5 ?
C2 C3 H3A . . 107.5 ?
O4 C4 O3 . . 120.58(19) ?
O4 C4 C3 . . 123.20(19) ?
O3 C4 C3 . . 116.18(17) ?
C6 C5 C3 . . 112.12(16) ?
C6 C5 C7 . . 109.70(16) ?
C3 C5 C7 . . 100.71(14) ?
C6 C5 H5 . . 111.3 ?
C3 C5 H5 . . 111.3 ?
C7 C5 H5 . . 111.3 ?
O5 C6 O6 . . 124.8(2) ?
O5 C6 C5 . . 123.10(19) ?
O6 C6 C5 . . 112.1(2) ?
O9 C7 C5 . . 105.07(14) ?
O9 C7 C8 . . 111.73(14) ?
C5 C7 C8 . . 113.30(14) ?
O9 C7 H7 . . 108.9 ?
C5 C7 H7 . . 108.9 ?
C8 C7 H7 . . 108.9 ?
O8 C8 O7 . . 125.07(18) ?
O8 C8 C7 . . 117.21(16) ?
O7 C8 C7 . . 117.70(15) ?
C1 O1 Cu1 . . 121.38(13) ?
C4 O3 H3 . . 109.5 ?
C6 O6 H6 . . 109.5 ?
C8 O7 Cu1 . . 123.11(12) ?
C8 O8 Cu1 . 2_645 128.49(12) ?
C2 O9 C7 . . 109.69(13) ?
C2 O9 Cu1 . . 107.31(10) ?
C7 O9 Cu1 . . 106.35(10) ?
C9 N1 C20 . . 118.0(2) ?
C9 N1 Cu1 . . 129.25(16) ?
C20 N1 Cu1 . . 112.71(15) ?
C18 N2 C19 . . 119.0(2) ?
C18 N2 Cu1 . . 128.7(2) ?
C19 N2 Cu1 . . 112.27(16) ?
N1 C9 C10 . . 122.6(3) ?
N1 C9 H9 . . 118.7 ?
C10 C9 H9 . . 118.7 ?
C11 C10 C9 . . 119.8(3) ?
C11 C10 H10 . . 120.1 ?
C9 C10 H10 . . 120.1 ?
C10 C11 C12 . . 120.0(2) ?
C10 C11 H11 . . 120.0 ?
C12 C11 H11 . . 120.0 ?
C11 C12 C20 . . 117.4(3) ?
C11 C12 C13 . . 125.3(3) ?
C20 C12 C13 . . 117.3(3) ?
C14 C13 C12 . . 121.5(3) ?
C14 C13 H13 . . 119.3 ?
C12 C13 H13 . . 119.3 ?
C13 C14 C15 . . 122.7(3) ?
C13 C14 H14 . . 118.6 ?
C15 C14 H14 . . 118.6 ?
C16 C15 C19 . . 117.1(3) ?
C16 C15 C14 . . 125.6(3) ?
C19 C15 C14 . . 117.3(3) ?
C17 C16 C15 . . 120.6(3) ?
C17 C16 H16 . . 119.7 ?
C15 C16 H16 . . 119.7 ?
C16 C17 C18 . . 119.4(3) ?
C16 C17 H17 . . 120.3 ?
C18 C17 H17 . . 120.3 ?
N2 C18 C17 . . 120.6(3) ?
N2 C18 H18 . . 119.7 ?
C17 C18 H18 . . 119.7 ?
N2 C19 C15 . . 123.2(3) ?
N2 C19 C20 . . 117.23(19) ?
C15 C19 C20 . . 119.6(3) ?
N1 C20 C19 . . 116.2(2) ?
N1 C20 C12 . . 122.2(2) ?
C19 C20 C12 . . 121.5(2) ?
H10A O10 H10B . . 133(6) ?
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 O7 . 1.9680(14) n
Cu1 O1 . 1.9835(15) n
Cu1 N2 . 2.0164(18) n
Cu1 N1 . 2.0235(17) n
Cu1 O8 2_655 2.3363(14) ?
Cu1 O9 . 2.3519(13) n
C1 O1 . 1.246(2) ?
C1 O2 . 1.261(3) ?
C1 C2 . 1.522(3) ?
C2 O9 . 1.433(2) ?
C2 C3 . 1.548(2) ?
C2 H2 . 0.9800 ?
C3 C4 . 1.521(3) ?
C3 C5 . 1.527(3) ?
C3 H3A . 0.9800 ?
C4 O4 . 1.197(3) ?
C4 O3 . 1.323(3) ?
C5 C6 . 1.521(3) ?
C5 C7 . 1.542(3) ?
C5 H5 . 0.9800 ?
C6 O5 . 1.195(3) ?
C6 O6 . 1.309(3) ?
C7 O9 . 1.440(2) ?
C7 C8 . 1.542(3) ?
C7 H7 . 0.9800 ?
C8 O8 . 1.236(2) ?
C8 O7 . 1.272(2) ?
O3 H3 . 0.8200 ?
O6 H6 . 0.8200 ?
O8 Cu1 2_645 2.3363(14) ?
N1 C9 . 1.332(3) ?
N1 C20 . 1.353(3) ?
N2 C18 . 1.326(3) ?
N2 C19 . 1.357(3) ?
C9 C10 . 1.400(4) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.346(5) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.394(5) ?
C11 H11 . 0.9300 ?
C12 C20 . 1.422(3) ?
C12 C13 . 1.423(4) ?
C13 C14 . 1.329(5) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.449(5) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.374(5) ?
C15 C19 . 1.408(3) ?
C16 C17 . 1.367(5) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.433(4) ?
C17 H17 . 0.9300 ?
C18 H18 . 0.9300 ?
C19 C20 . 1.417(4) ?
O10 H10A . 0.89(2) ?
O10 H10B . 0.85(2) ?
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
O10 H10A O5 2_655 0.89(2) 2.47(10) 2.793(6) 102(7)
O6 H6 O2 1_545 0.82 1.84 2.646(2) 166.1
O3 H3 O2 . 0.82 1.83 2.641(2) 171.5
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_site_symmetry_4
_geom_torsion
O1 C1 C2 O9 . . 0.9(3)
O2 C1 C2 O9 . . 179.11(18)
O1 C1 C2 C3 . . -117.1(2)
O2 C1 C2 C3 . . 61.1(2)
O9 C2 C3 C4 . . 144.82(15)
C1 C2 C3 C4 . . -93.47(19)
O9 C2 C3 C5 . . 17.66(18)
C1 C2 C3 C5 . . 139.37(16)
C5 C3 C4 O4 . . -10.3(3)
C2 C3 C4 O4 . . -131.1(2)
C5 C3 C4 O3 . . 171.93(18)
C2 C3 C4 O3 . . 51.1(2)
C4 C3 C5 C6 . . -42.0(2)
C2 C3 C5 C6 . . 83.97(19)
C4 C3 C5 C7 . . -158.57(16)
C2 C3 C5 C7 . . -32.60(17)
C3 C5 C6 O5 . . -51.7(3)
C7 C5 C6 O5 . . 59.3(3)
C3 C5 C6 O6 . . 129.65(19)
C7 C5 C6 O6 . . -119.3(2)
C6 C5 C7 O9 . . -81.17(18)
C3 C5 C7 O9 . . 37.17(17)
C6 C5 C7 C8 . . 156.60(16)
C3 C5 C7 C8 . . -85.06(17)
O9 C7 C8 O8 . . -170.15(15)
C5 C7 C8 O8 . . -51.7(2)
O9 C7 C8 O7 . . 11.3(2)
C5 C7 C8 O7 . . 129.76(17)
O2 C1 O1 Cu1 . . 178.38(18)
C2 C1 O1 Cu1 . . -3.6(3)
O7 Cu1 O1 C1 . . 78.65(18)
N2 Cu1 O1 C1 . . -95.88(18)
N1 Cu1 O1 C1 . . -57.3(5)
O8 Cu1 O1 C1 2_655 . 172.23(18)
O9 Cu1 O1 C1 . . 3.30(17)
O8 C8 O7 Cu1 . . -170.39(14)
C7 C8 O7 Cu1 . . 8.0(2)
O1 Cu1 O7 C8 . . -91.67(15)
N2 Cu1 O7 C8 . . 35.6(6)
N1 Cu1 O7 C8 . . 82.04(15)
O8 Cu1 O7 C8 2_655 . -179.54(15)
O9 Cu1 O7 C8 . . -15.26(14)
O7 C8 O8 Cu1 . 2_645 111.36(19)
C7 C8 O8 Cu1 . 2_645 -67.1(2)
C1 C2 O9 C7 . . -113.58(17)
C3 C2 O9 C7 . . 6.33(18)
C1 C2 O9 Cu1 . . 1.55(17)
C3 C2 O9 Cu1 . . 121.46(11)
C5 C7 O9 C2 . . -27.77(17)
C8 C7 O9 C2 . . 95.47(16)
C5 C7 O9 Cu1 . . -143.52(11)
C8 C7 O9 Cu1 . . -20.27(15)
O7 Cu1 O9 C2 . . -98.38(11)
O1 Cu1 O9 C2 . . -2.43(11)
N2 Cu1 O9 C2 . . 87.02(12)
N1 Cu1 O9 C2 . . 169.62(11)
O8 Cu1 O9 C2 2_655 . -39.7(2)
O7 Cu1 O9 C7 . . 18.96(10)
O1 Cu1 O9 C7 . . 114.90(11)
N2 Cu1 O9 C7 . . -155.65(11)
N1 Cu1 O9 C7 . . -73.04(11)
O8 Cu1 O9 C7 2_655 . 77.61(18)
O7 Cu1 N1 C9 . . 2.64(19)
O1 Cu1 N1 C9 . . 138.5(4)
N2 Cu1 N1 C9 . . 177.6(2)
O8 Cu1 N1 C9 2_655 . -91.63(19)
O9 Cu1 N1 C9 . . 79.35(19)
O7 Cu1 N1 C20 . . -177.48(14)
O1 Cu1 N1 C20 . . -41.6(5)
N2 Cu1 N1 C20 . . -2.51(14)
O8 Cu1 N1 C20 2_655 . 88.24(14)
O9 Cu1 N1 C20 . . -100.77(14)
O7 Cu1 N2 C18 . . -130.7(5)
O1 Cu1 N2 C18 . . -3.3(2)
N1 Cu1 N2 C18 . . -177.7(2)
O8 Cu1 N2 C18 2_655 . 84.4(2)
O9 Cu1 N2 C18 . . -80.9(2)
O7 Cu1 N2 C19 . . 48.8(6)
O1 Cu1 N2 C19 . . 176.18(14)
N1 Cu1 N2 C19 . . 1.86(14)
O8 Cu1 N2 C19 2_655 . -96.07(14)
O9 Cu1 N2 C19 . . 98.63(14)
C20 N1 C9 C10 . . -0.1(3)
Cu1 N1 C9 C10 . . 179.79(18)
N1 C9 C10 C11 . . -0.5(4)
C9 C10 C11 C12 . . 0.4(4)
C10 C11 C12 C20 . . 0.3(4)
C10 C11 C12 C13 . . 179.3(3)
C11 C12 C13 C14 . . -177.2(3)
C20 C12 C13 C14 . . 1.8(4)
C12 C13 C14 C15 . . 0.2(5)
C13 C14 C15 C16 . . 178.3(3)
C13 C14 C15 C19 . . -2.2(4)
C19 C15 C16 C17 . . 0.1(4)
C14 C15 C16 C17 . . 179.7(3)
C15 C16 C17 C18 . . -1.2(4)
C19 N2 C18 C17 . . -0.4(3)
Cu1 N2 C18 C17 . . 179.09(18)
C16 C17 C18 N2 . . 1.4(4)
C18 N2 C19 C15 . . -0.8(3)
Cu1 N2 C19 C15 . . 179.66(17)
C18 N2 C19 C20 . . 178.61(19)
Cu1 N2 C19 C20 . . -1.0(2)
C16 C15 C19 N2 . . 0.9(3)
C14 C15 C19 N2 . . -178.7(2)
C16 C15 C19 C20 . . -178.5(2)
C14 C15 C19 C20 . . 2.0(3)
C9 N1 C20 C19 . . -177.37(19)
Cu1 N1 C20 C19 . . 2.7(2)
C9 N1 C20 C12 . . 0.8(3)
Cu1 N1 C20 C12 . . -179.11(16)
N2 C19 C20 N1 . . -1.2(3)
C15 C19 C20 N1 . . 178.19(19)
N2 C19 C20 C12 . . -179.37(19)
C15 C19 C20 C12 . . 0.0(3)
C11 C12 C20 N1 . . -0.9(3)
C13 C12 C20 N1 . . 180.0(2)
C11 C12 C20 C19 . . 177.2(2)
C13 C12 C20 C19 . . -2.0(3)
