#------------------------------------------------------------------------------
#$Date: 2017-07-25 12:12:11 +0300 (Tue, 25 Jul 2017) $
#$Revision: 199104 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/08/2020827.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_2020827
loop_
_publ_author_name
'Tang, Long'
'Zhang, Juan'
'Liu, Xiao-Xia'
'Wang, Ji-Jiang'
'Fu, Feng'
_publ_section_title
;
 A two-dimensional copper(II) coordination polymer based on
 2,4′-oxybis(benzoate) and 4,4′-bipyridine
;
_journal_coeditor_code           OV3089
_journal_issue                   7
_journal_name_full
'Acta Crystallographica Section C Structural Chemistry'
_journal_paper_doi               10.1107/S2053229617007537
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Cu (C14 H8 O5) (C10 H8 N2)], H2 O'
_chemical_formula_moiety         'C24 H16 Cu N2 O5, H2 O1'
_chemical_formula_sum            'C24 H18 Cu N2 O6'
_chemical_formula_weight         493.94
_chemical_name_systematic
;Poly[[(μ-4,4'-bipyridine-κ²N,N')(μ-2,4'-oxydibenzoato-κ⁴O²,O^2'^:O⁴,O^4'^)copper(II)]
monohydrate]{[Cu(C₁₄H₈O₅)(C₁₀H₈N₂)]\\cdotH₂O
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL2014
_cell_angle_alpha                90
_cell_angle_beta                 100.862(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.731(4)
_cell_length_b                   14.274(5)
_cell_length_c                   13.211(5)
_cell_measurement_reflns_used    2152
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.6892
_cell_measurement_theta_min      2.2718
_cell_volume                     2172.5(13)
_computing_cell_refinement
;
SAINT (Bruker, 2000)
;
_computing_data_collection
;
SMART (Bruker, 2000)
;
_computing_data_reduction
;
SAINT (Bruker, 2000)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10779
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.121
_exptl_absorpt_coefficient_mu    1.050
_exptl_absorpt_correction_T_max  0.802
_exptl_absorpt_correction_T_min  0.737
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2000)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1012
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.502
_refine_diff_density_min         -0.333
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         3821
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0572P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1094
_reflns_number_gt                2612
_reflns_number_total             3821
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ov3089sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        2172.6(14)
_cod_database_code               2020827
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2.014
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu1 0.16833(3) 0.25361(3) 0.81160(3) 0.03615(15) Uani d 1 . .
O O1 0.2541(2) 0.36943(15) 0.85492(19) 0.0445(6) Uani d 1 . .
O O2 0.3035(3) 0.3459(2) 0.7048(2) 0.0777(9) Uani d 1 . .
O O3 0.52529(19) 0.41323(16) 0.89850(19) 0.0487(6) Uani d 1 . .
O O4 1.01783(19) 0.32147(16) 0.78438(19) 0.0464(6) Uani d 1 . .
O O5 1.0173(2) 0.22406(17) 0.91366(19) 0.0492(6) Uani d 1 . .
N N1 0.2914(2) 0.16870(18) 0.8878(2) 0.0389(7) Uani d 1 . .
N N2 0.1073(2) 0.15638(17) 0.7053(2) 0.0347(6) Uani d 1 . .
C C1 0.3033(3) 0.3943(2) 0.7809(3) 0.0402(8) Uani d 1 . .
C C2 0.3640(3) 0.4872(2) 0.7944(3) 0.0368(8) Uani d 1 . .
C C3 0.3108(3) 0.5690(2) 0.7508(3) 0.0526(10) Uani d 1 . .
H H3 0.2369 0.5661 0.7103 0.063 Uiso calc 1 . .
C C4 0.3677(4) 0.6545(3) 0.7675(3) 0.0630(12) Uani d 1 . .
H H4 0.3315 0.7087 0.7383 0.076 Uiso calc 1 . .
C C5 0.4771(4) 0.6597(3) 0.8270(4) 0.0626(12) Uani d 1 . .
H H5 0.5144 0.7173 0.8378 0.075 Uiso calc 1 . .
C C6 0.5317(3) 0.5800(3) 0.8707(3) 0.0528(10) Uani d 1 . .
H H6A 0.6053 0.5835 0.9116 0.063 Uiso calc 1 . .
C C7 0.4754(3) 0.4951(2) 0.8528(3) 0.0381(8) Uani d 1 . .
C C8 0.6353(3) 0.3882(2) 0.8843(3) 0.0381(8) Uani d 1 . .
C C9 0.6796(3) 0.4123(2) 0.7986(3) 0.0416(9) Uani d 1 . .
H H9 0.6369 0.4499 0.7477 0.050 Uiso calc 1 . .
C C10 0.7885(3) 0.3800(2) 0.7890(3) 0.0405(8) Uani d 1 . .
H H10 0.8195 0.3975 0.7320 0.049 Uiso calc 1 . .
C C11 0.8520(3) 0.3221(2) 0.8632(3) 0.0371(8) Uani d 1 . .
C C12 0.8054(3) 0.2985(3) 0.9479(3) 0.0456(9) Uani d 1 . .
H H12 0.8471 0.2595 0.9980 0.055 Uiso calc 1 . .
C C13 0.6971(3) 0.3318(3) 0.9603(3) 0.0469(9) Uani d 1 . .
H H13 0.6671 0.3163 1.0184 0.056 Uiso calc 1 . .
C C14 0.9689(3) 0.2868(2) 0.8542(3) 0.0406(9) Uani d 1 . .
C C15 0.2607(3) 0.0891(3) 0.9274(3) 0.0595(11) Uani d 1 . .
H H15 0.1821 0.0781 0.9252 0.071 Uiso calc 1 . .
C C16 0.3387(3) 0.0220(3) 0.9715(3) 0.0574(11) Uani d 1 . .
H H16 0.3121 -0.0328 0.9972 0.069 Uiso calc 1 . .
C C17 0.4563(3) 0.0358(2) 0.9778(2) 0.0366(8) Uani d 1 . .
C C18 0.4870(3) 0.1191(3) 0.9397(4) 0.0705(13) Uani d 1 . .
H H18 0.5652 0.1329 0.9436 0.085 Uiso calc 1 . .
C C19 0.4047(3) 0.1832(3) 0.8958(4) 0.0669(13) Uani d 1 . .
H H19 0.4293 0.2390 0.8706 0.080 Uiso calc 1 . .
C C20 0.1584(3) 0.1482(2) 0.6235(3) 0.0406(8) Uani d 1 . .
H H20 0.2228 0.1853 0.6208 0.049 Uiso calc 1 . .
C C21 0.1203(3) 0.0871(2) 0.5423(2) 0.0385(8) Uani d 1 . .
H H21 0.1598 0.0829 0.4877 0.046 Uiso calc 1 . .
C C22 0.0233(3) 0.0324(2) 0.5434(2) 0.0314(7) Uani d 1 . .
C C23 -0.0299(3) 0.0406(2) 0.6283(3) 0.0442(9) Uani d 1 . .
H H23 -0.0954 0.0052 0.6325 0.053 Uiso calc 1 . .
C C24 0.0153(3) 0.1019(2) 0.7067(3) 0.0467(9) Uani d 1 . .
H H24 -0.0206 0.1054 0.7636 0.056 Uiso calc 1 . .
O O6 0.9603(5) 0.4138(4) 0.5754(4) 0.1208(19) Uani d 0.703(5) A 1
H H6B 0.9770 0.3882 0.6345 0.181 Uiso d 0.703(5) A 1
H H6C 0.9765 0.3761 0.5304 0.181 Uiso d 0.703(5) A 1
O O6B 0.9064(12) 0.4388(9) 0.4695(10) 0.1208(19) Uani d 0.297(5) A 2
H H6D 0.9428 0.4037 0.4223 0.181 Uiso d 0.297(5) A 2
H H6E 0.9211 0.5044 0.4622 0.181 Uiso d 0.297(5) 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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Cu1 O4 . 1_455 91.80(10) y
O1 Cu1 N1 . . 94.69(11) y
O4 Cu1 N1 1_455 . 156.51(11) y
O1 Cu1 N2 . . 151.80(11) y
O4 Cu1 N2 1_455 . 91.30(10) y
N1 Cu1 N2 . . 93.52(11) y
O2 Cu1 N1 . . 96.94(10) y
O2 Cu1 N2 . . 98.10(10) y
O2 Cu1 O1 . . 54.13(10) y
O2 Cu1 O4 . 1_455 105.11(10) y
O2 Cu1 O5 . 1_455 159.93(9) y
O1 Cu1 O5 . 1_455 111.56(9) y
N1 Cu1 O5 . 1_455 98.41(9) y
N2 Cu1 O5 . 1_455 93.80(9) y
O4 Cu1 O5 1_455 1_455 58.31(9) y
C1 O1 Cu1 . . 107.0(2) ?
C8 O3 C7 . . 118.9(3) ?
C14 O4 Cu1 . 1_655 100.7(2) ?
C15 N1 C19 . . 116.3(3) ?
C15 N1 Cu1 . . 119.5(2) ?
C19 N1 Cu1 . . 124.1(2) ?
C24 N2 C20 . . 116.6(3) ?
C24 N2 Cu1 . . 125.2(2) ?
C20 N2 Cu1 . . 118.1(2) ?
O2 C1 O1 . . 123.1(3) ?
O2 C1 C2 . . 121.5(3) ?
O1 C1 C2 . . 115.4(3) ?
C7 C2 C3 . . 117.4(3) ?
C7 C2 C1 . . 120.9(3) ?
C3 C2 C1 . . 121.7(3) ?
C4 C3 C2 . . 120.4(4) ?
C4 C3 H3 . . 119.8 ?
C2 C3 H3 . . 119.8 ?
C5 C4 C3 . . 120.4(4) ?
C5 C4 H4 . . 119.8 ?
C3 C4 H4 . . 119.8 ?
C4 C5 C6 . . 120.4(4) ?
C4 C5 H5 . . 119.8 ?
C6 C5 H5 . . 119.8 ?
C5 C6 C7 . . 118.9(4) ?
C5 C6 H6A . . 120.5 ?
C7 C6 H6A . . 120.5 ?
C6 C7 C2 . . 122.4(3) ?
C6 C7 O3 . . 121.0(3) ?
C2 C7 O3 . . 116.5(3) ?
C9 C8 C13 . . 121.1(3) ?
C9 C8 O3 . . 123.5(3) ?
C13 C8 O3 . . 115.2(3) ?
C8 C9 C10 . . 119.3(3) ?
C8 C9 H9 . . 120.4 ?
C10 C9 H9 . . 120.4 ?
C9 C10 C11 . . 121.0(3) ?
C9 C10 H10 . . 119.5 ?
C11 C10 H10 . . 119.5 ?
C12 C11 C10 . . 118.6(3) ?
C12 C11 C14 . . 119.7(3) ?
C10 C11 C14 . . 121.7(3) ?
C11 C12 C13 . . 121.5(3) ?
C11 C12 H12 . . 119.3 ?
C13 C12 H12 . . 119.3 ?
C8 C13 C12 . . 118.5(3) ?
C8 C13 H13 . . 120.7 ?
C12 C13 H13 . . 120.7 ?
O5 C14 O4 . . 121.2(3) ?
O5 C14 C11 . . 120.5(4) ?
O4 C14 C11 . . 118.3(3) ?
N1 C15 C16 . . 123.7(3) ?
N1 C15 H15 . . 118.2 ?
C16 C15 H15 . . 118.2 ?
C15 C16 C17 . . 120.2(3) ?
C15 C16 H16 . . 119.9 ?
C17 C16 H16 . . 119.9 ?
C18 C17 C16 . . 115.6(3) ?
C18 C17 C17 . 3_657 122.3(4) ?
C16 C17 C17 . 3_657 122.1(4) ?
C17 C18 C19 . . 121.4(4) ?
C17 C18 H18 . . 119.3 ?
C19 C18 H18 . . 119.3 ?
N1 C19 C18 . . 122.8(4) ?
N1 C19 H19 . . 118.6 ?
C18 C19 H19 . . 118.6 ?
N2 C20 C21 . . 123.5(3) ?
N2 C20 H20 . . 118.3 ?
C21 C20 H20 . . 118.3 ?
C22 C21 C20 . . 119.5(3) ?
C22 C21 H21 . . 120.3 ?
C20 C21 H21 . . 120.3 ?
C21 C22 C23 . . 117.2(3) ?
C21 C22 C22 . 3_556 121.6(4) ?
C23 C22 C22 . 3_556 121.2(4) ?
C24 C23 C22 . . 119.4(3) ?
C24 C23 H23 . . 120.3 ?
C22 C23 H23 . . 120.3 ?
N2 C24 C23 . . 123.8(3) ?
N2 C24 H24 . . 118.1 ?
C23 C24 H24 . . 118.1 ?
H6B O6 H6C . . 109.1 ?
H6D O6B H6E . . 109.5 ?
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 O1 . 1.964(2) y
Cu1 O4 1_455 1.986(2) y
Cu1 N1 . 2.004(3) y
Cu1 N2 . 2.008(3) y
Cu1 O2 . 2.661(3) y
Cu1 O5 1_455 2.457(3) y
O1 C1 . 1.275(4) ?
O2 C1 . 1.221(4) ?
O3 C8 . 1.386(4) ?
O3 C7 . 1.393(4) ?
O4 C14 . 1.275(4) ?
O4 Cu1 1_655 1.986(2) ?
O5 C14 . 1.254(4) ?
N1 C15 . 1.329(4) ?
N1 C19 . 1.330(4) ?
N2 C24 . 1.333(4) ?
N2 C20 . 1.335(4) ?
C1 C2 . 1.500(4) ?
C2 C7 . 1.391(5) ?
C2 C3 . 1.396(4) ?
C3 C4 . 1.390(5) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.374(5) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.377(5) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.379(5) ?
C6 H6A . 0.9300 ?
C8 C9 . 1.375(5) ?
C8 C13 . 1.381(4) ?
C9 C10 . 1.387(5) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.387(4) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.376(5) ?
C11 C14 . 1.487(5) ?
C12 C13 . 1.395(5) ?
C12 H12 . 0.9300 ?
C13 H13 . 0.9300 ?
C15 C16 . 1.375(5) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.381(5) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.365(5) ?
C17 C17 3_657 1.488(6) ?
C18 C19 . 1.377(5) ?
C18 H18 . 0.9300 ?
C19 H19 . 0.9300 ?
C20 C21 . 1.390(4) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.382(4) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.388(5) ?
C22 C22 3_556 1.494(6) ?
C23 C24 . 1.383(4) ?
C23 H23 . 0.9300 ?
C24 H24 . 0.9300 ?
O6 H6B . 0.8503 ?
O6 H6C . 0.8498 ?
O6B H6D . 0.9600 ?
O6B H6E . 0.9600 ?
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
_geom_hbond_publ_flag
O6B H6E O6B 3_766 0.96 2.21 2.80(3) 119.0 no
O6B H6D O5 4_565 0.96 2.04 2.829(13) 138.8 no
O6 H6B O4 . 0.85 2.17 3.019(6) 179.2 yes
O6 H6C O5 4_565 0.85 2.22 3.070(6) 179.1 yes
C24 H24 O5 1_455 0.93 2.58 3.239(4) 128.1 no
C21 H21 O1 4_565 0.93 2.34 3.232(4) 159.5 yes
C20 H20 O2 . 0.93 2.64 3.365(4) 135.1 no
O6B H6E O6B 3_766 0.96 2.21 2.80(3) 119.0 no
O6B H6D O5 4_565 0.96 2.04 2.829(13) 138.8 no
O6 H6C O5 4_565 0.85 2.22 3.070(6) 179.1 no
O6 H6B O4 . 0.85 2.17 3.019(6) 179.2 no
C24 H24 O5 1_455 0.93 2.58 3.239(4) 128.1 no
C21 H21 O1 4_565 0.93 2.34 3.232(4) 159.5 no
C20 H20 O2 . 0.93 2.64 3.365(4) 135.1 no
O6B H6E O6B 3_766 0.96 2.21 2.80(3) 119.0 no
O6B H6D O5 4_565 0.96 2.04 2.829(13) 138.8 no
O6 H6C O5 4_565 0.85 2.22 3.070(6) 179.1 no
O6 H6B O4 . 0.85 2.17 3.019(6) 179.2 no
C24 H24 O5 1_455 0.93 2.58 3.239(4) 128.1 no
C21 H21 O1 4_565 0.93 2.34 3.232(4) 159.5 no
C20 H20 O2 . 0.93 2.64 3.365(4) 135.1 no
C20 H20 O2 . 0.93 2.64 3.365(4) 135.1 no
C21 H21 O1 4_565 0.93 2.34 3.232(4) 159.5 no
C24 H24 O5 1_455 0.93 2.58 3.239(4) 128.1 no
O6 H6B O4 . 0.85 2.17 3.019(6) 179.2 no
O6 H6C O5 4_565 0.85 2.22 3.070(6) 179.1 no
O6B H6D O5 4_565 0.96 2.04 2.829(13) 138.8 no
O6B H6E O6B 3_766 0.96 2.21 2.80(3) 119.0 no
C20 H20 O2 . 0.93 2.64 3.365(4) 135.1 no
C21 H21 O1 4_565 0.93 2.34 3.232(4) 159.5 no
C24 H24 O5 1_455 0.93 2.58 3.239(4) 128.1 no
O6 H6B O4 . 0.85 2.17 3.019(6) 179.2 no
O6 H6C O5 4_565 0.85 2.22 3.070(6) 179.1 no
O6B H6D O5 4_565 0.96 2.04 2.829(13) 138.8 no
O6B H6E O6B 3_766 0.96 2.21 2.80(3) 119.0 no
C20 H20 O2 . 0.93 2.64 3.365(4) 135.1 no
C21 H21 O1 4_565 0.93 2.34 3.232(4) 159.5 no
C24 H24 O5 1_455 0.93 2.58 3.239(4) 128.1 no
O6 H6B O4 . 0.85 2.17 3.019(6) 179.2 no
O6 H6C O5 4_565 0.85 2.22 3.070(6) 179.1 no
O6B H6D O5 4_565 0.96 2.04 2.829(13) 138.8 no
O6B H6E O6B 3_766 0.96 2.21 2.80(3) 119.0 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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
Cu1 O1 C1 O2 . . -7.2(4)
Cu1 O1 C1 C2 . . 174.1(2)
O2 C1 C2 C7 . . -96.8(4)
O1 C1 C2 C7 . . 81.9(4)
O2 C1 C2 C3 . . 84.4(5)
O1 C1 C2 C3 . . -96.9(4)
C7 C2 C3 C4 . . -1.1(5)
C1 C2 C3 C4 . . 177.8(4)
C2 C3 C4 C5 . . 0.1(6)
C3 C4 C5 C6 . . 0.1(7)
C4 C5 C6 C7 . . 0.7(6)
C5 C6 C7 C2 . . -1.8(6)
C5 C6 C7 O3 . . -177.5(3)
C3 C2 C7 C6 . . 1.9(5)
C1 C2 C7 C6 . . -176.9(3)
C3 C2 C7 O3 . . 177.9(3)
C1 C2 C7 O3 . . -1.0(5)
C8 O3 C7 C6 . . -55.3(5)
C8 O3 C7 C2 . . 128.7(3)
C7 O3 C8 C9 . . -28.5(5)
C7 O3 C8 C13 . . 155.1(3)
C13 C8 C9 C10 . . -0.6(5)
O3 C8 C9 C10 . . -176.8(3)
C8 C9 C10 C11 . . 1.5(5)
C9 C10 C11 C12 . . -1.1(5)
C9 C10 C11 C14 . . 179.9(3)
C10 C11 C12 C13 . . -0.2(5)
C14 C11 C12 C13 . . 178.7(3)
C9 C8 C13 C12 . . -0.7(5)
O3 C8 C13 C12 . . 175.8(3)
C11 C12 C13 C8 . . 1.2(5)
Cu1 O4 C14 O5 1_655 . -2.4(4)
Cu1 O4 C14 C11 1_655 . 178.0(2)
C12 C11 C14 O5 . . 11.5(5)
C10 C11 C14 O5 . . -169.5(3)
C12 C11 C14 O4 . . -168.8(3)
C10 C11 C14 O4 . . 10.1(5)
C19 N1 C15 C16 . . -2.3(6)
Cu1 N1 C15 C16 . . 173.1(3)
N1 C15 C16 C17 . . 0.8(7)
C15 C16 C17 C18 . . 1.2(6)
C15 C16 C17 C17 . 3_657 -178.3(4)
C16 C17 C18 C19 . . -1.7(6)
C17 C17 C18 C19 3_657 . 177.8(4)
C15 N1 C19 C18 . . 1.7(6)
Cu1 N1 C19 C18 . . -173.4(4)
C17 C18 C19 N1 . . 0.2(8)
C24 N2 C20 C21 . . 0.1(5)
Cu1 N2 C20 C21 . . -176.5(2)
N2 C20 C21 C22 . . 1.3(5)
C20 C21 C22 C23 . . -1.3(5)
C20 C21 C22 C22 . 3_556 178.2(3)
C21 C22 C23 C24 . . 0.1(5)
C22 C22 C23 C24 3_556 . -179.5(3)
C20 N2 C24 C23 . . -1.5(5)
Cu1 N2 C24 C23 . . 174.9(3)
C22 C23 C24 N2 . . 1.4(6)

_cod_database_fobs_code 2020827
