#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/02/2220275.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_2220275
loop_
_publ_author_name
'Wen, Zhi-Gang'
'Li, Mao-Lian'
_publ_section_title
;(Acetato-κO)bis(2,2'-bipyridyl-κ²N,N')copper(II)--ethyl
 sulfate--methyl sulfate (1/0.5/0.5)
;
_journal_coeditor_code           LH2732
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1563
_journal_page_last               m1564
_journal_paper_doi               10.1107/S1600536808037331
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Cu (C2 H3 O2) (C10 H8 N2)2] (C2 H5 O4 S)0.5 (C H3 O4 S)0.5'
_chemical_formula_moiety
'C22 H19 Cu N4 O2 +, 0.5(C2 H5 O4 S -), 0.5(C H3 O4 S -)'
_chemical_formula_sum            'C23.5 H23 Cu N4 O6 S'
_chemical_formula_weight         553.06
_chemical_name_systematic
;
(Acetato-κO)bis(2,2'-bipyridyl-κ²N,N')copper(II)--
ethyl sulfate--methyl sulfate (1/0.5/0.5)
;
_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                91.8750(10)
_cell_angle_beta                 104.6730(10)
_cell_angle_gamma                101.1620(10)
_cell_formula_units_Z            2
_cell_length_a                   7.1314(7)
_cell_length_b                   13.1173(13)
_cell_length_c                   13.2783(14)
_cell_measurement_reflns_used    4397
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      28.08
_cell_measurement_theta_min      2.34
_cell_volume                     1174.5(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (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      291(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0154
_diffrn_reflns_av_sigmaI/netI    0.0235
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8803
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    1.068
_exptl_absorpt_correction_T_max  0.8000
_exptl_absorpt_correction_T_min  0.7026
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             570
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.545
_refine_diff_density_min         -0.248
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         4347
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0289
_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)+(0.0354P)²+0.5539P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0756
_reflns_number_gt                3848
_reflns_number_total             4347
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh2732.cif
_cod_data_source_block           I
_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 

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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2220275
_cod_database_fobs_code          2220275
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu1 0.69835(4) 0.608241(18) 0.760447(18) 0.03168(9) Uani d . 1 . .
O O1 0.8543(2) 0.52120(12) 0.84602(12) 0.0433(4) Uani d . 1 . .
O O2 0.9954(3) 0.51379(14) 0.71558(14) 0.0550(4) Uani d . 1 . .
N N1 0.5337(2) 0.67731(13) 0.64598(13) 0.0317(4) Uani d . 1 . .
N N2 0.4968(2) 0.48175(13) 0.68357(13) 0.0323(4) Uani d . 1 . .
N N3 0.6247(3) 0.68159(15) 0.89221(14) 0.0383(4) Uani d . 1 . .
N N4 0.9261(2) 0.73567(13) 0.80779(13) 0.0326(4) Uani d . 1 . .
C C1 0.4895(3) 0.38259(17) 0.70852(18) 0.0415(5) Uani d . 1 . .
H H1A 0.5772 0.3699 0.7694 0.050 Uiso calc R 1 . .
C C2 0.3570(3) 0.29897(18) 0.6473(2) 0.0461(6) Uani d . 1 . .
H H2A 0.3552 0.2313 0.6666 0.055 Uiso calc R 1 . .
C C3 0.2279(3) 0.31788(17) 0.55725(19) 0.0430(5) Uani d . 1 . .
H H3A 0.1371 0.2629 0.5149 0.052 Uiso calc R 1 . .
C C4 0.2337(3) 0.41910(16) 0.52997(17) 0.0365(5) Uani d . 1 . .
H H4A 0.1480 0.4329 0.4689 0.044 Uiso calc R 1 . .
C C5 0.3697(3) 0.49981(15) 0.59519(15) 0.0289(4) Uani d . 1 . .
C C6 0.3895(3) 0.61088(15) 0.57390(15) 0.0284(4) Uani d . 1 . .
C C7 0.2728(3) 0.64571(17) 0.48789(16) 0.0362(5) Uani d . 1 . .
H H7A 0.1754 0.5988 0.4389 0.043 Uiso calc R 1 . .
C C8 0.3031(3) 0.75132(18) 0.47579(18) 0.0434(5) Uani d . 1 . .
H H8A 0.2278 0.7761 0.4176 0.052 Uiso calc R 1 . .
C C9 0.4454(4) 0.81974(18) 0.55037(19) 0.0469(6) Uani d . 1 . .
H H9A 0.4651 0.8912 0.5443 0.056 Uiso calc R 1 . .
C C10 0.5578(3) 0.78016(16) 0.63401(18) 0.0403(5) Uani d . 1 . .
H H10A 0.6543 0.8263 0.6843 0.048 Uiso calc R 1 . .
C C11 0.9728(3) 0.48732(17) 0.80077(19) 0.0424(5) Uani d . 1 . .
C C12 1.0787(4) 0.4086(2) 0.8584(3) 0.0645(8) Uani d . 1 . .
H H12A 1.1963 0.4071 0.8362 0.097 Uiso calc R 1 . .
H H12B 0.9929 0.3408 0.8434 0.097 Uiso calc R 1 . .
H H12C 1.1144 0.4280 0.9322 0.097 Uiso calc R 1 . .
C C13 1.0729(3) 0.75999(18) 0.76051(18) 0.0424(5) Uani d . 1 . .
H H13A 1.0669 0.7195 0.7005 0.051 Uiso calc R 1 . .
C C14 1.2314(4) 0.84204(19) 0.7971(2) 0.0516(6) Uani d . 1 . .
H H14A 1.3283 0.8584 0.7613 0.062 Uiso calc R 1 . .
C C15 1.2432(4) 0.89909(19) 0.8875(2) 0.0531(7) Uani d . 1 . .
H H15A 1.3504 0.9541 0.9147 0.064 Uiso calc R 1 . .
C C16 1.0960(4) 0.87503(18) 0.93812(19) 0.0467(6) Uani d . 1 . .
H H16A 1.1037 0.9132 0.9999 0.056 Uiso calc R 1 . .
C C17 0.9355(3) 0.79297(16) 0.89594(15) 0.0338(5) Uani d . 1 . .
C C18 0.7654(3) 0.76315(16) 0.94229(16) 0.0358(5) Uani d . 1 . .
C C19 0.7519(4) 0.8162(2) 1.03148(18) 0.0531(6) Uani d . 1 . .
H H19A 0.8519 0.8722 1.0654 0.064 Uiso calc R 1 . .
C C20 0.5900(5) 0.7851(3) 1.0690(2) 0.0658(8) Uani d . 1 . .
H H20A 0.5784 0.8202 1.1284 0.079 Uiso calc R 1 . .
C C21 0.4449(5) 0.7017(3) 1.0183(2) 0.0660(8) Uani d . 1 . .
H H21A 0.3340 0.6793 1.0428 0.079 Uiso calc R 1 . .
C C22 0.4667(4) 0.6515(2) 0.9297(2) 0.0532(6) Uani d . 1 . .
H H22A 0.3684 0.5951 0.8951 0.064 Uiso calc R 1 . .
S S1 0.65876(9) 0.06973(4) 0.75424(4) 0.04017(14) Uani d U 1 A .
O O3 0.7495(3) 0.17515(13) 0.79359(16) 0.0663(5) Uani d . 1 . .
O O4 0.4498(3) 0.05525(16) 0.70285(18) 0.0724(6) Uani d . 1 . .
O O5 0.7039(3) -0.00602(14) 0.82714(14) 0.0622(5) Uani d . 1 . .
O O6 0.7439(3) 0.04364(14) 0.65787(13) 0.0530(4) Uani d DU 1 . .
C C23A 0.9552(16) 0.054(5) 0.690(4) 0.066(4) Uani d PD 0.50 A 1
H H23A 1.0010 0.0371 0.6304 0.099 Uiso calc PR 0.50 A 1
H H23B 0.9895 0.0082 0.7426 0.099 Uiso calc PR 0.50 A 1
H H23C 1.0165 0.1250 0.7167 0.099 Uiso calc PR 0.50 A 1
C C23B 0.9520(17) 0.047(5) 0.674(4) 0.066(4) Uani d PD 0.50 A 2
H H23D 0.9971 0.0023 0.7275 0.079 Uiso calc PR 0.50 A 2
H H23E 1.0274 0.1176 0.6951 0.079 Uiso calc PR 0.50 A 2
C C24B 0.9788(9) 0.0102(6) 0.5741(5) 0.0774(19) Uani d P 0.50 A 2
H H24A 1.1174 0.0151 0.5804 0.116 Uiso calc PR 0.50 A 2
H H24B 0.9268 0.0526 0.5207 0.116 Uiso calc PR 0.50 A 2
H H24C 0.9097 -0.0610 0.5558 0.116 Uiso calc PR 0.50 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'
S S 0.1246 0.1234 '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_publ_flag
O1 Cu1 N2 91.45(7) y
O1 Cu1 N1 167.87(6) y
N2 Cu1 N1 80.14(7) y
O1 Cu1 N4 91.03(7) y
N2 Cu1 N4 166.61(7) y
N1 Cu1 N4 95.20(7) y
O1 Cu1 N3 94.44(7) y
N2 Cu1 N3 115.38(7) y
N1 Cu1 N3 97.05(7) y
N4 Cu1 N3 77.52(7) y
C11 O1 Cu1 112.76(15) ?
C10 N1 C6 118.32(18) ?
C10 N1 Cu1 126.67(14) ?
C6 N1 Cu1 114.99(13) ?
C1 N2 C5 118.53(18) ?
C1 N2 Cu1 125.94(15) ?
C5 N2 Cu1 115.32(13) ?
C18 N3 C22 118.5(2) ?
C18 N3 Cu1 113.03(14) ?
C22 N3 Cu1 128.37(17) ?
C13 N4 C17 118.92(18) ?
C13 N4 Cu1 123.50(14) ?
C17 N4 Cu1 117.38(14) ?
N2 C1 C2 122.6(2) ?
N2 C1 H1A 118.7 ?
C2 C1 H1A 118.7 ?
C3 C2 C1 118.6(2) ?
C3 C2 H2A 120.7 ?
C1 C2 H2A 120.7 ?
C2 C3 C4 119.7(2) ?
C2 C3 H3A 120.2 ?
C4 C3 H3A 120.2 ?
C3 C4 C5 118.9(2) ?
C3 C4 H4A 120.5 ?
C5 C4 H4A 120.5 ?
N2 C5 C4 121.65(18) ?
N2 C5 C6 114.68(17) ?
C4 C5 C6 123.66(18) ?
N1 C6 C7 121.76(18) ?
N1 C6 C5 114.55(17) ?
C7 C6 C5 123.69(18) ?
C6 C7 C8 119.0(2) ?
C6 C7 H7A 120.5 ?
C8 C7 H7A 120.5 ?
C9 C8 C7 119.6(2) ?
C9 C8 H8A 120.2 ?
C7 C8 H8A 120.2 ?
C10 C9 C8 118.6(2) ?
C10 C9 H9A 120.7 ?
C8 C9 H9A 120.7 ?
N1 C10 C9 122.6(2) ?
N1 C10 H10A 118.7 ?
C9 C10 H10A 118.7 ?
O2 C11 O1 123.5(2) ?
O2 C11 C12 121.8(2) ?
O1 C11 C12 114.7(2) ?
C11 C12 H12A 109.5 ?
C11 C12 H12B 109.5 ?
H12A C12 H12B 109.5 ?
C11 C12 H12C 109.5 ?
H12A C12 H12C 109.5 ?
H12B C12 H12C 109.5 ?
N4 C13 C14 122.8(2) ?
N4 C13 H13A 118.6 ?
C14 C13 H13A 118.6 ?
C15 C14 C13 118.3(2) ?
C15 C14 H14A 120.8 ?
C13 C14 H14A 120.8 ?
C14 C15 C16 120.0(2) ?
C14 C15 H15A 120.0 ?
C16 C15 H15A 120.0 ?
C15 C16 C17 119.3(2) ?
C15 C16 H16A 120.3 ?
C17 C16 H16A 120.3 ?
N4 C17 C16 120.6(2) ?
N4 C17 C18 115.85(18) ?
C16 C17 C18 123.6(2) ?
N3 C18 C19 121.8(2) ?
N3 C18 C17 115.71(18) ?
C19 C18 C17 122.5(2) ?
C20 C19 C18 119.3(3) ?
C20 C19 H19A 120.3 ?
C18 C19 H19A 120.3 ?
C19 C20 C21 119.4(3) ?
C19 C20 H20A 120.3 ?
C21 C20 H20A 120.3 ?
C20 C21 C22 118.7(3) ?
C20 C21 H21A 120.6 ?
C22 C21 H21A 120.6 ?
N3 C22 C21 122.3(3) ?
N3 C22 H22A 118.9 ?
C21 C22 H22A 118.9 ?
O3 S1 O5 114.52(12) ?
O3 S1 O4 113.33(13) ?
O5 S1 O4 113.34(12) ?
O3 S1 O6 107.18(11) ?
O5 S1 O6 106.19(11) ?
O4 S1 O6 100.85(12) ?
C23A O6 S1 111.6(19) ?
C23B O6 S1 120.4(18) ?
O6 C23A H23A 109.5 ?
O6 C23A H23B 109.5 ?
O6 C23A H23C 109.5 ?
O6 C23B C24B 107(2) ?
O6 C23B H23D 110.3 ?
C24B C23B H23D 110.3 ?
O6 C23B H23E 110.3 ?
C24B C23B H23E 110.3 ?
H23D C23B H23E 108.6 ?
C23B C24B H24A 109.5 ?
C23B C24B H24B 109.5 ?
H24A C24B H24B 109.5 ?
C23B C24B H24C 109.5 ?
H24A C24B H24C 109.5 ?
H24B C24B H24C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 O1 1.9411(15) y
Cu1 N2 2.0207(17) y
Cu1 N1 2.0266(17) y
Cu1 N4 2.0471(17) y
Cu1 N3 2.1940(18) y
O1 C11 1.287(3) ?
O2 C11 1.234(3) ?
N1 C10 1.346(3) ?
N1 C6 1.354(2) ?
N2 C1 1.347(3) ?
N2 C5 1.348(3) ?
N3 C18 1.339(3) ?
N3 C22 1.341(3) ?
N4 C13 1.345(3) ?
N4 C17 1.350(3) ?
C1 C2 1.381(3) ?
C1 H1A 0.9300 ?
C2 C3 1.374(3) ?
C2 H2A 0.9300 ?
C3 C4 1.383(3) ?
C3 H3A 0.9300 ?
C4 C5 1.389(3) ?
C4 H4A 0.9300 ?
C5 C6 1.480(3) ?
C6 C7 1.380(3) ?
C7 C8 1.381(3) ?
C7 H7A 0.9300 ?
C8 C9 1.377(3) ?
C8 H8A 0.9300 ?
C9 C10 1.376(3) ?
C9 H9A 0.9300 ?
C10 H10A 0.9300 ?
C11 C12 1.511(3) ?
C12 H12A 0.9600 ?
C12 H12B 0.9600 ?
C12 H12C 0.9600 ?
C13 C14 1.374(3) ?
C13 H13A 0.9300 ?
C14 C15 1.369(4) ?
C14 H14A 0.9300 ?
C15 C16 1.377(4) ?
C15 H15A 0.9300 ?
C16 C17 1.393(3) ?
C16 H16A 0.9300 ?
C17 C18 1.488(3) ?
C18 C19 1.388(3) ?
C19 C20 1.367(4) ?
C19 H19A 0.9300 ?
C20 C21 1.372(4) ?
C20 H20A 0.9300 ?
C21 C22 1.386(4) ?
C21 H21A 0.9300 ?
C22 H22A 0.9300 ?
S1 O3 1.4279(18) ?
S1 O5 1.4341(18) ?
S1 O4 1.445(2) ?
S1 O6 1.6026(17) ?
O6 C23A 1.436(7) ?
O6 C23B 1.438(7) ?
C23A H23A 0.9600 ?
C23A H23B 0.9600 ?
C23A H23C 0.9600 ?
C23B C24B 1.46(5) ?
C23B H23D 0.9700 ?
C23B H23E 0.9700 ?
C24B H24A 0.9600 ?
C24B H24B 0.9600 ?
C24B H24C 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
C16 H16A O5 2_767 0.93 2.49 3.339(3) 151.4
C12 H12B O3 . 0.96 2.46 3.414(3) 174.4
C8 H8A O6 2_666 0.93 2.59 3.295(3) 132.9
C7 H7A O2 2_666 0.93 2.39 3.286(3) 161.9
C4 H4A O2 2_666 0.93 2.58 3.482(3) 163.4
C2 H2A O4 . 0.93 2.56 3.454(3) 162.3
C1 H1A O1 . 0.93 2.49 2.992(3) 113.9
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
N2 Cu1 O1 C11 83.73(15)
N1 Cu1 O1 C11 37.9(4)
N4 Cu1 O1 C11 -83.11(15)
N3 Cu1 O1 C11 -160.68(15)
O1 Cu1 N1 C10 -136.1(3)
N2 Cu1 N1 C10 177.24(19)
N4 Cu1 N1 C10 -15.43(18)
N3 Cu1 N1 C10 62.60(18)
O1 Cu1 N1 C6 42.0(4)
N2 Cu1 N1 C6 -4.66(13)
N4 Cu1 N1 C6 162.67(14)
N3 Cu1 N1 C6 -119.29(14)
O1 Cu1 N2 C1 8.46(18)
N1 Cu1 N2 C1 179.67(18)
N4 Cu1 N2 C1 109.1(3)
N3 Cu1 N2 C1 -87.15(18)
O1 Cu1 N2 C5 -166.17(14)
N1 Cu1 N2 C5 5.04(14)
N4 Cu1 N2 C5 -65.5(3)
N3 Cu1 N2 C5 98.22(14)
O1 Cu1 N3 C18 84.49(15)
N2 Cu1 N3 C18 178.22(13)
N1 Cu1 N3 C18 -99.38(14)
N4 Cu1 N3 C18 -5.59(14)
O1 Cu1 N3 C22 -91.6(2)
N2 Cu1 N3 C22 2.1(2)
N1 Cu1 N3 C22 84.5(2)
N4 Cu1 N3 C22 178.3(2)
O1 Cu1 N4 C13 86.96(17)
N2 Cu1 N4 C13 -13.7(4)
N1 Cu1 N4 C13 -82.63(17)
N3 Cu1 N4 C13 -178.72(18)
O1 Cu1 N4 C17 -87.84(15)
N2 Cu1 N4 C17 171.5(2)
N1 Cu1 N4 C17 102.57(15)
N3 Cu1 N4 C17 6.48(14)
C5 N2 C1 C2 -0.1(3)
Cu1 N2 C1 C2 -174.60(17)
N2 C1 C2 C3 0.2(4)
C1 C2 C3 C4 0.2(3)
C2 C3 C4 C5 -0.6(3)
C1 N2 C5 C4 -0.3(3)
Cu1 N2 C5 C4 174.78(15)
C1 N2 C5 C6 -179.62(17)
Cu1 N2 C5 C6 -4.6(2)
C3 C4 C5 N2 0.6(3)
C3 C4 C5 C6 179.90(19)
C10 N1 C6 C7 2.1(3)
Cu1 N1 C6 C7 -176.14(15)
C10 N1 C6 C5 -178.14(18)
Cu1 N1 C6 C5 3.6(2)
N2 C5 C6 N1 0.6(2)
C4 C5 C6 N1 -178.70(18)
N2 C5 C6 C7 -179.65(18)
C4 C5 C6 C7 1.0(3)
N1 C6 C7 C8 -0.6(3)
C5 C6 C7 C8 179.67(19)
C6 C7 C8 C9 -1.4(3)
C7 C8 C9 C10 1.8(4)
C6 N1 C10 C9 -1.7(3)
Cu1 N1 C10 C9 176.35(17)
C8 C9 C10 N1 -0.2(4)
Cu1 O1 C11 O2 5.2(3)
Cu1 O1 C11 C12 -172.77(16)
C17 N4 C13 C14 -1.1(3)
Cu1 N4 C13 C14 -175.82(17)
N4 C13 C14 C15 2.3(4)
C13 C14 C15 C16 -1.4(4)
C14 C15 C16 C17 -0.5(4)
C13 N4 C17 C16 -0.9(3)
Cu1 N4 C17 C16 174.12(15)
C13 N4 C17 C18 178.51(18)
Cu1 N4 C17 C18 -6.4(2)
C15 C16 C17 N4 1.7(3)
C15 C16 C17 C18 -177.7(2)
C22 N3 C18 C19 0.4(3)
Cu1 N3 C18 C19 -176.14(17)
C22 N3 C18 C17 -179.43(19)
Cu1 N3 C18 C17 4.0(2)
N4 C17 C18 N3 1.3(3)
C16 C17 C18 N3 -179.33(19)
N4 C17 C18 C19 -178.58(19)
C16 C17 C18 C19 0.8(3)
N3 C18 C19 C20 -0.6(4)
C17 C18 C19 C20 179.3(2)
C18 C19 C20 C21 0.5(4)
C19 C20 C21 C22 -0.3(4)
C18 N3 C22 C21 -0.2(4)
Cu1 N3 C22 C21 175.77(18)
C20 C21 C22 N3 0.1(4)
O3 S1 O6 C23A 60(3)
O5 S1 O6 C23A -62(3)
O4 S1 O6 C23A 179(3)
O3 S1 O6 C23B 62(3)
O5 S1 O6 C23B -61(3)
O4 S1 O6 C23B -179(3)
S1 O6 C23B C24B 175(2)
