#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:06:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179231 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/51/4315116.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_4315116
loop_
_publ_author_name
'Susanne Striegler'
'Natasha A. Dunaway'
'Moses G. Gichinga'
'James D. Barnett'
'Anna-Gay D. Nelson'
_publ_section_title
;
 Evaluating Binuclear Copper(II) Complexes for Glycoside Hydrolysis
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2639
_journal_page_last               2648
_journal_paper_doi               10.1021/ic9014064
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C25 H30 Cu2 N2 O9'
_chemical_formula_sum            'C25 H30 Cu2 N2 O9'
_chemical_formula_weight         629.59
_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                94.606(7)
_cell_angle_beta                 91.898(7)
_cell_angle_gamma                107.159(7)
_cell_formula_units_Z            2
_cell_length_a                   6.381(2)
_cell_length_b                   10.723(4)
_cell_length_c                   19.732(7)
_cell_measurement_reflns_used    3677
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.31
_cell_measurement_theta_min      2.00
_cell_volume                     1283.6(8)
_computing_cell_refinement       'SMART, SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1990)'
_computing_publication_material  'SHELXS-97 (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       '0.3 wide /w exposures'
_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  0.0618
_diffrn_reflns_av_sigmaI/netI    0.1178
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            13126
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         na
_exptl_absorpt_coefficient_mu    1.714
_exptl_absorpt_correction_T_max  0.960
_exptl_absorpt_correction_T_min  0.855
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SHELXPREP
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.128
_exptl_crystal_size_mid          0.076
_exptl_crystal_size_min          0.024
_refine_diff_density_max         0.809
_refine_diff_density_min         -0.688
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.883
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6310
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.883
_refine_ls_R_factor_all          0.0984
_refine_ls_R_factor_gt           0.0523
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0482P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1056
_refine_ls_wR_factor_ref         0.1151
_reflns_number_gt                3677
_reflns_number_total             6310
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9014064_si_002_1.cif
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'nm' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1283.5(8)
_cod_database_code               4315116
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 -1.26031(8) -0.43434(5) 1.18264(2) 0.02544(14) Uani 1 1 d . . .
Cu2 Cu -1.60318(8) -0.56665(4) 1.31067(2) 0.02451(14) Uani 1 1 d . . .
N1 N -1.0752(5) -0.5437(3) 1.16338(16) 0.0257(8) Uani 1 1 d . . .
N2 N -1.5802(5) -0.7395(3) 1.32005(16) 0.0234(7) Uani 1 1 d . . .
O1 O -1.6568(4) -0.4044(2) 1.28963(14) 0.0295(7) Uani 1 1 d . . .
O2 O -1.4248(5) -0.3161(3) 1.21088(15) 0.0359(8) Uani 1 1 d . . .
O3 O -0.7472(5) -0.0199(3) 0.81960(15) 0.0393(8) Uani 1 1 d . . .
O4 O -0.6699(5) -0.1348(3) 0.94406(14) 0.0363(7) Uani 1 1 d . . .
O5 O -1.1376(5) -0.3183(3) 1.11681(14) 0.0338(7) Uani 1 1 d . . .
O6 O -1.4002(4) -0.5646(2) 1.24070(14) 0.0277(7) Uani 1 1 d . . .
O7 O -1.8181(4) -0.5817(2) 1.37591(14) 0.0259(6) Uani 1 1 d . . .
O8 O -2.4170(4) -0.7939(2) 1.50466(14) 0.0317(7) Uani 1 1 d . . .
O9 O -2.7099(5) -0.6016(3) 1.59554(14) 0.0331(7) Uani 1 1 d . . .
C1 C -1.6586(8) -0.2003(4) 1.2550(2) 0.0454(13) Uani 1 1 d . . .
H1A H -1.7704 -0.2105 1.2887 0.068 Uiso 1 1 calc R . .
H1B H -1.7241 -0.1944 1.2102 0.068 Uiso 1 1 calc R . .
H1C H -1.5377 -0.1201 1.2681 0.068 Uiso 1 1 calc R . .
C2 C -1.5724(7) -0.3161(4) 1.2519(2) 0.0294(10) Uani 1 1 d . . .
C3 C -0.9412(9) 0.0012(5) 0.7951(3) 0.0592(15) Uani 1 1 d . . .
H3A H -0.9894 -0.0494 0.7508 0.089 Uiso 1 1 calc R . .
H3B H -0.9143 0.0947 0.7899 0.089 Uiso 1 1 calc R . .
H3C H -1.0557 -0.0269 0.8273 0.089 Uiso 1 1 calc R . .
C4 C -0.6688(7) 0.0484(4) 0.8841(2) 0.0320(10) Uani 1 1 d . . .
H4A H -0.7056 0.1320 0.8876 0.038 Uiso 1 1 calc R . .
H4B H -0.5068 0.0694 0.8883 0.038 Uiso 1 1 calc R . .
C5 C -0.7662(7) -0.0300(4) 0.9417(2) 0.0329(10) Uani 1 1 d . . .
H5A H -0.7332 0.0264 0.9853 0.040 Uiso 1 1 calc R . .
H5B H -0.9277 -0.0656 0.9337 0.040 Uiso 1 1 calc R . .
C6 C -0.7423(7) -0.2245(4) 0.9900(2) 0.0292(10) Uani 1 1 d . . .
C7 C -0.6260(7) -0.3169(4) 0.9929(2) 0.0318(10) Uani 1 1 d . . .
H7A H -0.5082 -0.3146 0.9643 0.038 Uiso 1 1 calc R . .
C8 C -0.6861(7) -0.4102(4) 1.0378(2) 0.0348(11) Uani 1 1 d . . .
H8A H -0.6069 -0.4723 1.0403 0.042 Uiso 1 1 calc R . .
C9 C -0.8601(6) -0.4175(4) 1.0800(2) 0.0261(9) Uani 1 1 d . . .
C10 C -0.9755(7) -0.3230(4) 1.0781(2) 0.0278(10) Uani 1 1 d . . .
C11 C -0.9128(7) -0.2268(4) 1.0316(2) 0.0303(10) Uani 1 1 d . . .
H11A H -0.9887 -0.1632 1.0289 0.036 Uiso 1 1 calc R . .
C12 C -0.9159(7) -0.5232(4) 1.1230(2) 0.0290(10) Uani 1 1 d . . .
H12A H -0.8297 -0.5820 1.1216 0.035 Uiso 1 1 calc R . .
C13 C -1.1238(7) -0.6572(4) 1.2030(2) 0.0349(11) Uani 1 1 d . . .
H13A H -1.1395 -0.7374 1.1723 0.042 Uiso 1 1 calc R . .
H13B H -1.0002 -0.6470 1.2367 0.042 Uiso 1 1 calc R . .
C14 C -1.3191(12) -0.6705(6) 1.2372(4) 0.121(4) Uani 1 1 d . . .
H14A H -1.4187 -0.7187 1.1972 0.145 Uiso 1 1 calc R . .
C15 C -1.4036(7) -0.7687(4) 1.2824(2) 0.0290(10) Uani 1 1 d . . .
H15A H -1.2841 -0.7722 1.3148 0.035 Uiso 1 1 calc R . .
H15B H -1.4608 -0.8555 1.2559 0.035 Uiso 1 1 calc R . .
C16 C -1.7113(6) -0.8281(4) 1.35224(19) 0.0233(9) Uani 1 1 d . . .
H16A H -1.6873 -0.9116 1.3505 0.028 Uiso 1 1 calc R . .
C17 C -1.8897(6) -0.8112(4) 1.3903(2) 0.0244(9) Uani 1 1 d . . .
C18 C -1.9316(6) -0.6893(4) 1.4021(2) 0.0252(9) Uani 1 1 d . . .
C19 C -2.1086(6) -0.6819(4) 1.4418(2) 0.0231(9) Uani 1 1 d . . .
H19A H -2.1365 -0.6001 1.4510 0.028 Uiso 1 1 calc R . .
C20 C -2.2410(6) -0.7920(4) 1.4673(2) 0.0246(9) Uani 1 1 d . . .
C21 C -2.2049(7) -0.9139(4) 1.4539(2) 0.0297(10) Uani 1 1 d . . .
H21A H -2.3006 -0.9901 1.4700 0.036 Uiso 1 1 calc R . .
C22 C -2.0307(7) -0.9219(4) 1.4174(2) 0.0289(10) Uani 1 1 d . . .
H22A H -2.0031 -1.0042 1.4099 0.035 Uiso 1 1 calc R . .
C23 C -2.4626(7) -0.6731(4) 1.5243(2) 0.0282(10) Uani 1 1 d . . .
H23A H -2.5003 -0.6331 1.4839 0.034 Uiso 1 1 calc R . .
H23B H -2.3352 -0.6098 1.5505 0.034 Uiso 1 1 calc R . .
C24 C -2.6558(7) -0.7139(4) 1.5678(2) 0.0290(10) Uani 1 1 d . . .
H24A H -2.7835 -0.7735 1.5400 0.035 Uiso 1 1 calc R . .
H24B H -2.6195 -0.7618 1.6052 0.035 Uiso 1 1 calc R . .
C25 C -2.9064(7) -0.6424(4) 1.6311(2) 0.0378(11) Uani 1 1 d . . .
H25A H -2.9443 -0.5652 1.6501 0.057 Uiso 1 1 calc R . .
H25B H -2.8833 -0.6937 1.6680 0.057 Uiso 1 1 calc R . .
H25C H -3.0265 -0.6965 1.5995 0.057 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
O5 Cu1 O6 173.68(13) . . ?
O5 Cu1 N1 93.56(12) . . ?
O6 Cu1 N1 84.77(12) . . ?
O5 Cu1 O2 87.79(11) . . ?
O6 Cu1 O2 94.54(11) . . ?
N1 Cu1 O2 173.61(14) . . ?
O7 Cu2 O6 175.31(12) . . ?
O7 Cu2 N2 93.30(12) . . ?
O6 Cu2 N2 83.90(12) . . ?
O7 Cu2 O1 87.64(11) . . ?
O6 Cu2 O1 94.58(11) . . ?
N2 Cu2 O1 171.43(13) . . ?
C12 N1 C13 120.1(3) . . ?
C12 N1 Cu1 127.1(3) . . ?
C13 N1 Cu1 112.7(2) . . ?
C16 N2 C15 120.6(3) . . ?
C16 N2 Cu2 125.7(3) . . ?
C15 N2 Cu2 113.6(2) . . ?
C2 O1 Cu2 135.0(3) . . ?
C2 O2 Cu1 136.1(3) . . ?
C3 O3 C4 112.9(3) . . ?
C6 O4 C5 118.3(3) . . ?
C10 O5 Cu1 127.1(3) . . ?
C14 O6 Cu1 113.1(2) . . ?
C14 O6 Cu2 113.9(3) . . ?
Cu1 O6 Cu2 132.45(14) . . ?
C18 O7 Cu2 127.5(2) . . ?
C20 O8 C23 119.4(3) . . ?
C24 O9 C25 109.3(3) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 O2 126.6(4) . . ?
O1 C2 C1 116.7(3) . . ?
O2 C2 C1 116.7(3) . . ?
O3 C3 H3A 109.5 . . ?
O3 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
O3 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O3 C4 C5 112.2(4) . . ?
O3 C4 H4A 109.2 . . ?
C5 C4 H4A 109.2 . . ?
O3 C4 H4B 109.2 . . ?
C5 C4 H4B 109.2 . . ?
H4A C4 H4B 107.9 . . ?
O4 C5 C4 107.4(3) . . ?
O4 C5 H5A 110.2 . . ?
C4 C5 H5A 110.2 . . ?
O4 C5 H5B 110.2 . . ?
C4 C5 H5B 110.2 . . ?
H5A C5 H5B 108.5 . . ?
O4 C6 C11 124.6(4) . . ?
O4 C6 C7 114.4(3) . . ?
C11 C6 C7 121.1(4) . . ?
C8 C7 C6 118.5(4) . . ?
C8 C7 H7A 120.7 . . ?
C6 C7 H7A 120.7 . . ?
C7 C8 C9 122.3(4) . . ?
C7 C8 H8A 118.9 . . ?
C9 C8 H8A 118.9 . . ?
C8 C9 C10 119.3(4) . . ?
C8 C9 C12 117.7(4) . . ?
C10 C9 C12 123.0(3) . . ?
O5 C10 C11 117.4(4) . . ?
O5 C10 C9 124.5(4) . . ?
C11 C10 C9 118.1(3) . . ?
C6 C11 C10 120.6(4) . . ?
C6 C11 H11A 119.7 . . ?
C10 C11 H11A 119.7 . . ?
N1 C12 C9 124.4(4) . . ?
N1 C12 H12A 117.8 . . ?
C9 C12 H12A 117.8 . . ?
C14 C13 N1 111.1(4) . . ?
C14 C13 H13A 109.4 . . ?
N1 C13 H13A 109.4 . . ?
C14 C13 H13B 109.4 . . ?
N1 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
O6 C14 C13 116.9(4) . . ?
O6 C14 C15 117.0(4) . . ?
C13 C14 C15 124.0(4) . . ?
O6 C14 H14A 94.8 . . ?
C13 C14 H14A 94.8 . . ?
C15 C14 H14A 94.8 . . ?
C14 C15 N2 110.3(3) . . ?
C14 C15 H15A 109.6 . . ?
N2 C15 H15A 109.6 . . ?
C14 C15 H15B 109.6 . . ?
N2 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
N2 C16 C17 125.6(4) . . ?
N2 C16 H16A 117.2 . . ?
C17 C16 H16A 117.2 . . ?
C18 C17 C22 118.6(3) . . ?
C18 C17 C16 123.0(3) . . ?
C22 C17 C16 118.4(3) . . ?
O7 C18 C17 123.4(3) . . ?
O7 C18 C19 117.7(3) . . ?
C17 C18 C19 118.8(3) . . ?
C20 C19 C18 120.6(3) . . ?
C20 C19 H19A 119.7 . . ?
C18 C19 H19A 119.7 . . ?
O8 C20 C19 124.4(3) . . ?
O8 C20 C21 114.8(3) . . ?
C19 C20 C21 120.8(3) . . ?
C22 C21 C20 119.2(3) . . ?
C22 C21 H21A 120.4 . . ?
C20 C21 H21A 120.4 . . ?
C21 C22 C17 121.9(4) . . ?
C21 C22 H22A 119.1 . . ?
C17 C22 H22A 119.1 . . ?
O8 C23 C24 103.6(3) . . ?
O8 C23 H23A 111.0 . . ?
C24 C23 H23A 111.0 . . ?
O8 C23 H23B 111.0 . . ?
C24 C23 H23B 111.0 . . ?
H23A C23 H23B 109.0 . . ?
O9 C24 C23 110.0(3) . . ?
O9 C24 H24A 109.7 . . ?
C23 C24 H24A 109.7 . . ?
O9 C24 H24B 109.7 . . ?
C23 C24 H24B 109.7 . . ?
H24A C24 H24B 108.2 . . ?
O9 C25 H25A 109.5 . . ?
O9 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O9 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
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 O5 1.897(3) . ?
Cu1 O6 1.910(3) . ?
Cu1 N1 1.921(3) . ?
Cu1 O2 1.931(3) . ?
Cu2 O7 1.893(2) . ?
Cu2 O6 1.921(2) . ?
Cu2 N2 1.925(3) . ?
Cu2 O1 1.942(3) . ?
N1 C12 1.291(5) . ?
N1 C13 1.461(5) . ?
N2 C16 1.292(4) . ?
N2 C15 1.465(4) . ?
O1 C2 1.258(5) . ?
O2 C2 1.261(4) . ?
O3 C3 1.401(6) . ?
O3 C4 1.413(5) . ?
O4 C6 1.365(4) . ?
O4 C5 1.435(5) . ?
O5 C10 1.316(4) . ?
O6 C14 1.378(5) . ?
O7 C18 1.323(4) . ?
O8 C20 1.359(4) . ?
O8 C23 1.436(4) . ?
O9 C24 1.422(4) . ?
O9 C25 1.428(5) . ?
C1 C2 1.497(5) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.509(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C11 1.380(5) . ?
C6 C7 1.406(5) . ?
C7 C8 1.368(5) . ?
C7 H7A 0.9500 . ?
C8 C9 1.398(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.419(5) . ?
C9 C12 1.438(5) . ?
C10 C11 1.414(5) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C14 1.412(6) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.429(6) . ?
C14 H14A 1.0000 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.432(5) . ?
C16 H16A 0.9500 . ?
C17 C18 1.412(5) . ?
C17 C22 1.417(5) . ?
C18 C19 1.414(5) . ?
C19 C20 1.377(5) . ?
C19 H19A 0.9500 . ?
C20 C21 1.399(5) . ?
C21 C22 1.364(5) . ?
C21 H21A 0.9500 . ?
C22 H22A 0.9500 . ?
C23 C24 1.503(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
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
O5 Cu1 N1 C12 5.8(4) . . . . ?
O6 Cu1 N1 C12 179.7(4) . . . . ?
O2 Cu1 N1 C12 -96.2(11) . . . . ?
O5 Cu1 N1 C13 -177.1(3) . . . . ?
O6 Cu1 N1 C13 -3.2(3) . . . . ?
O2 Cu1 N1 C13 80.8(12) . . . . ?
O7 Cu2 N2 C16 10.9(3) . . . . ?
O6 Cu2 N2 C16 -165.3(4) . . . . ?
O1 Cu2 N2 C16 -85.1(9) . . . . ?
O7 Cu2 N2 C15 -173.2(3) . . . . ?
O6 Cu2 N2 C15 10.6(3) . . . . ?
O1 Cu2 N2 C15 90.7(8) . . . . ?
O7 Cu2 O1 C2 174.9(4) . . . . ?
O6 Cu2 O1 C2 -9.2(4) . . . . ?
N2 Cu2 O1 C2 -88.6(9) . . . . ?
O5 Cu1 O2 C2 174.1(4) . . . . ?
O6 Cu1 O2 C2 0.0(4) . . . . ?
N1 Cu1 O2 C2 -83.5(12) . . . . ?
O6 Cu1 O5 C10 -77.0(11) . . . . ?
N1 Cu1 O5 C10 -2.6(4) . . . . ?
O2 Cu1 O5 C10 171.2(4) . . . . ?
O5 Cu1 O6 C14 70.6(12) . . . . ?
N1 Cu1 O6 C14 -4.3(5) . . . . ?
O2 Cu1 O6 C14 -178.0(5) . . . . ?
O5 Cu1 O6 Cu2 -118.6(10) . . . . ?
N1 Cu1 O6 Cu2 166.5(2) . . . . ?
O2 Cu1 O6 Cu2 -7.2(2) . . . . ?
O7 Cu2 O6 C14 -61.3(16) . . . . ?
N2 Cu2 O6 C14 -7.7(5) . . . . ?
O1 Cu2 O6 C14 -179.2(5) . . . . ?
O7 Cu2 O6 Cu1 128.0(13) . . . . ?
N2 Cu2 O6 Cu1 -178.5(2) . . . . ?
O1 Cu2 O6 Cu1 10.0(2) . . . . ?
O6 Cu2 O7 C18 40.4(16) . . . . ?
N2 Cu2 O7 C18 -12.8(3) . . . . ?
O1 Cu2 O7 C18 158.7(3) . . . . ?
Cu2 O1 C2 O2 5.2(7) . . . . ?
Cu2 O1 C2 C1 -175.9(3) . . . . ?
Cu1 O2 C2 O1 1.0(8) . . . . ?
Cu1 O2 C2 C1 -177.9(3) . . . . ?
C3 O3 C4 C5 88.2(4) . . . . ?
C6 O4 C5 C4 -176.2(4) . . . . ?
O3 C4 C5 O4 71.5(4) . . . . ?
C5 O4 C6 C11 4.5(6) . . . . ?
C5 O4 C6 C7 -174.7(4) . . . . ?
O4 C6 C7 C8 179.6(4) . . . . ?
C11 C6 C7 C8 0.3(7) . . . . ?
C6 C7 C8 C9 0.7(7) . . . . ?
C7 C8 C9 C10 -1.8(7) . . . . ?
C7 C8 C9 C12 177.2(4) . . . . ?
Cu1 O5 C10 C11 179.1(3) . . . . ?
Cu1 O5 C10 C9 -1.0(6) . . . . ?
C8 C9 C10 O5 -178.1(4) . . . . ?
C12 C9 C10 O5 3.0(7) . . . . ?
C8 C9 C10 C11 1.8(6) . . . . ?
C12 C9 C10 C11 -177.1(4) . . . . ?
O4 C6 C11 C10 -179.5(4) . . . . ?
C7 C6 C11 C10 -0.3(7) . . . . ?
O5 C10 C11 C6 179.1(4) . . . . ?
C9 C10 C11 C6 -0.8(6) . . . . ?
C13 N1 C12 C9 177.6(4) . . . . ?
Cu1 N1 C12 C9 -5.6(6) . . . . ?
C8 C9 C12 N1 -178.4(4) . . . . ?
C10 C9 C12 N1 0.5(7) . . . . ?
C12 N1 C13 C14 -172.8(6) . . . . ?
Cu1 N1 C13 C14 9.9(6) . . . . ?
Cu1 O6 C14 C13 11.6(9) . . . . ?
Cu2 O6 C14 C13 -161.0(5) . . . . ?
Cu1 O6 C14 C15 175.9(5) . . . . ?
Cu2 O6 C14 C15 3.3(9) . . . . ?
N1 C13 C14 O6 -14.0(9) . . . . ?
N1 C13 C14 C15 -177.0(7) . . . . ?
O6 C14 C15 N2 5.2(9) . . . . ?
C13 C14 C15 N2 168.2(7) . . . . ?
C16 N2 C15 C14 164.8(5) . . . . ?
Cu2 N2 C15 C14 -11.3(6) . . . . ?
C15 N2 C16 C17 -179.6(4) . . . . ?
Cu2 N2 C16 C17 -4.0(6) . . . . ?
N2 C16 C17 C18 -5.7(7) . . . . ?
N2 C16 C17 C22 174.2(4) . . . . ?
Cu2 O7 C18 C17 7.6(6) . . . . ?
Cu2 O7 C18 C19 -170.0(3) . . . . ?
C22 C17 C18 O7 -176.0(4) . . . . ?
C16 C17 C18 O7 3.9(6) . . . . ?
C22 C17 C18 C19 1.6(6) . . . . ?
C16 C17 C18 C19 -178.4(4) . . . . ?
O7 C18 C19 C20 176.3(4) . . . . ?
C17 C18 C19 C20 -1.5(6) . . . . ?
C23 O8 C20 C19 -5.1(6) . . . . ?
C23 O8 C20 C21 176.9(4) . . . . ?
C18 C19 C20 O8 -178.6(4) . . . . ?
C18 C19 C20 C21 -0.7(6) . . . . ?
O8 C20 C21 C22 -179.3(4) . . . . ?
C19 C20 C21 C22 2.7(6) . . . . ?
C20 C21 C22 C17 -2.5(7) . . . . ?
C18 C17 C22 C21 0.3(6) . . . . ?
C16 C17 C22 C21 -179.6(4) . . . . ?
C20 O8 C23 C24 -176.4(4) . . . . ?
C25 O9 C24 C23 174.3(4) . . . . ?
O8 C23 C24 O9 175.6(3) . . . . ?
