#------------------------------------------------------------------------------
#$Date: 2017-04-28 07:08:23 +0200 (vie 28 de abr de 2017) $
#$Revision: 195844 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/81/7228145.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_7228145
loop_
_publ_author_name
'Shi, Lu-Lu'
'Zheng, Tian-Rui'
'Li, Min'
'Qian, Lin-Lu'
'Li, Bao-Long'
'Li, Hai-Yan'
_publ_section_title
;
 A series of five-coordinated copper coordination polymers for efficient
 degradation of organic dyes under visible light irradiation
;
_journal_issue                   38
_journal_name_full               'RSC Adv.'
_journal_page_first              23432
_journal_paper_doi               10.1039/C7RA03268D
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C50 H54 Cu4 N8 O19'
_chemical_formula_weight         1325.17
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_update_record
;
2017-03-16 deposited with the CCDC.
2017-04-21 downloaded from the CCDC.
;
_cell_angle_alpha                88.231(7)
_cell_angle_beta                 88.555(9)
_cell_angle_gamma                82.101(7)
_cell_formula_units_Z            1
_cell_length_a                   10.1526(11)
_cell_length_b                   11.2399(8)
_cell_length_c                   11.9600(13)
_cell_measurement_reflns_used    2753
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.637
_cell_measurement_theta_min      3.651
_cell_volume                     1350.9(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4471
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       '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  0.0468
_diffrn_reflns_av_sigmaI/netI    0.0842
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10945
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.79
_diffrn_reflns_theta_min         2.91
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.636
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark blue'
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             678
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.887
_refine_diff_density_min         -0.680
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         5754
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0555
_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)+(0.0530P)²+1.5573P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1218
_refine_ls_wR_factor_ref         0.1362
_reflns_number_gt                3869
_reflns_number_total             5754
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ra03268d2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_space_group_crystal_system' value 'Triclinic' changed to
'triclinic' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               7228145
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
Cu1 Cu 0.99127(6) -0.16452(4) 0.59645(5) 0.02637(17) Uani 1 1 d .
Cu2 Cu 1.27833(6) -0.11278(4) 0.72812(5) 0.02668(17) Uani 1 1 d .
O1 O 1.1179(4) 0.6861(3) 0.6025(3) 0.0487(10) Uani 1 1 d .
O2 O 1.2681(3) 0.7127(3) 0.7309(3) 0.0389(9) Uani 1 1 d .
O3 O 1.1197(3) 0.2595(3) 0.4853(3) 0.0354(8) Uani 1 1 d .
O4 O 1.0304(3) 0.1703(3) 0.6299(3) 0.0316(8) Uani 1 1 d .
O5 O 1.2949(3) 0.0645(2) 0.7251(3) 0.0287(7) Uani 1 1 d .
O6 O 1.2022(4) 0.1176(3) 0.8908(3) 0.0429(9) Uani 1 1 d .
O7 O 1.1153(3) -0.0749(2) 0.6548(3) 0.0298(8) Uani 1 1 d D
H1W H 1.098(7) 0.001(2) 0.635(6) 0.09(2) Uiso 1 1 d D
O8 O 1.2173(4) -0.1226(3) 0.9175(3) 0.0448(10) Uani 1 1 d D
H2W H 1.151(4) -0.158(5) 0.932(5) 0.054 Uiso 1 1 d D
H3W H 1.199(6) -0.048(2) 0.926(5) 0.054 Uiso 1 1 d D
O9 O 0.9986(6) 0.2492(5) 1.0133(5) 0.0874(17) Uani 1 1 d D
H4W H 1.061(6) 0.215(6) 0.966(5) 0.105 Uiso 1 1 d D
O10 O 0.995(2) 0.4599(14) 1.004(2) 0.081(6) Uani 0.25 1 d P
O11 O 0.9432(18) 0.3379(16) 0.9728(18) 0.077(6) Uani 0.25 1 d P
N1 N 0.8318(4) -0.0487(3) 0.6337(3) 0.0278(9) Uani 1 1 d .
N2 N 0.6836(4) 0.0806(3) 0.7210(4) 0.0357(10) Uani 1 1 d .
N3 N 0.4659(4) 0.8444(3) 0.7675(3) 0.0302(9) Uani 1 1 d .
N4 N 0.6634(4) 0.7387(3) 0.7852(4) 0.0346(10) Uani 1 1 d .
C1 C 0.5188(5) 0.8730(4) 0.8657(4) 0.0339(11) Uani 1 1 d .
H1 H 0.4774 0.9283 0.9161 0.041 Uiso 1 1 calc R
C2 C 0.6395(6) 0.8094(4) 0.8781(4) 0.0395(13) Uani 1 1 d .
H2 H 0.6961 0.8121 0.9376 0.047 Uiso 1 1 calc R
C3 C 0.5556(5) 0.7625(4) 0.7205(4) 0.0313(11) Uani 1 1 d .
C4 C 0.5451(5) 0.7051(5) 0.6116(4) 0.0413(13) Uani 1 1 d .
H4A H 0.4685 0.7445 0.5733 0.062 Uiso 1 1 calc R
H4B H 0.5363 0.6218 0.6244 0.062 Uiso 1 1 calc R
H4C H 0.6237 0.7118 0.5668 0.062 Uiso 1 1 calc R
C5 C 0.7786(5) 0.6465(4) 0.7647(5) 0.0432(14) Uani 1 1 d .
H5A H 0.8474 0.6552 0.8175 0.052 Uiso 1 1 calc R
H5B H 0.8143 0.6587 0.6899 0.052 Uiso 1 1 calc R
C6 C 0.7417(5) 0.5205(4) 0.7764(5) 0.0397(13) Uani 1 1 d .
C7 C 0.6754(6) 0.4827(5) 0.8709(5) 0.0502(15) Uani 1 1 d .
H7A H 0.6539 0.5353 0.9292 0.060 Uiso 1 1 calc R
C8 C 0.6406(6) 0.3677(5) 0.8799(5) 0.0513(16) Uani 1 1 d .
H8 H 0.5963 0.3440 0.9440 0.062 Uiso 1 1 calc R
C9 C 0.6717(5) 0.2874(4) 0.7934(4) 0.0370(12) Uani 1 1 d .
C10 C 0.7397(6) 0.3247(5) 0.7002(5) 0.0468(14) Uani 1 1 d .
H10 H 0.7624 0.2721 0.6421 0.056 Uiso 1 1 calc R
C11 C 0.7744(5) 0.4392(5) 0.6926(4) 0.0410(13) Uani 1 1 d .
H11 H 0.8209 0.4622 0.6294 0.049 Uiso 1 1 calc R
C12 C 0.6261(6) 0.1645(4) 0.8054(5) 0.0438(14) Uani 1 1 d .
H12A H 0.6495 0.1305 0.8789 0.053 Uiso 1 1 calc R
H12B H 0.5299 0.1740 0.8007 0.053 Uiso 1 1 calc R
C13 C 0.6299(5) 0.0596(5) 0.6211(5) 0.0407(13) Uani 1 1 d .
H13 H 0.5472 0.0930 0.5947 0.049 Uiso 1 1 calc R
C14 C 0.7207(5) -0.0194(4) 0.5684(4) 0.0338(11) Uani 1 1 d .
H14 H 0.7103 -0.0500 0.4983 0.041 Uiso 1 1 calc R
C15 C 0.8049(5) 0.0144(4) 0.7266(4) 0.0313(11) Uani 1 1 d .
C16 C 0.8908(6) 0.0124(5) 0.8247(4) 0.0439(13) Uani 1 1 d .
H16A H 0.9334 0.0836 0.8232 0.066 Uiso 1 1 calc R
H16B H 0.9571 -0.0572 0.8228 0.066 Uiso 1 1 calc R
H16C H 0.8376 0.0095 0.8921 0.066 Uiso 1 1 calc R
C17 C 1.1999(5) 0.6510(4) 0.6765(4) 0.0288(11) Uani 1 1 d .
C18 C 1.2199(5) 0.5170(4) 0.7033(4) 0.0279(10) Uani 1 1 d .
C19 C 1.1616(4) 0.4405(4) 0.6372(4) 0.0251(10) Uani 1 1 d .
H19 H 1.1159 0.4717 0.5741 0.030 Uiso 1 1 calc R
C20 C 1.1696(4) 0.3186(4) 0.6627(4) 0.0223(9) Uani 1 1 d .
C21 C 1.2359(5) 0.2720(4) 0.7588(4) 0.0247(10) Uani 1 1 d .
C22 C 1.2952(5) 0.3492(4) 0.8254(4) 0.0320(11) Uani 1 1 d .
H22 H 1.3391 0.3190 0.8897 0.038 Uiso 1 1 calc R
C23 C 1.2888(5) 0.4711(4) 0.7960(4) 0.0344(12) Uani 1 1 d .
H23 H 1.3313 0.5212 0.8392 0.041 Uiso 1 1 calc R
C24 C 1.1014(5) 0.2420(4) 0.5895(4) 0.0278(10) Uani 1 1 d .
C25 C 1.2437(5) 0.1406(4) 0.7952(4) 0.0276(10) Uani 1 1 d .
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'
Cu Cu 0.3201 1.2651 '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'
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
O7 Cu1 O3 170.99(14) . 2_756
O7 Cu1 O1 92.24(14) . 1_545
O3 Cu1 O1 84.64(14) 2_756 1_545
O7 Cu1 N1 95.98(14) . .
O3 Cu1 N1 89.86(15) 2_756 .
O1 Cu1 N1 158.67(16) 1_545 .
O7 Cu2 N3 166.12(15) . 1_645
O7 Cu2 O2 93.06(13) . 1_545
N3 Cu2 O2 86.63(14) 1_645 1_545
O7 Cu2 O5 88.46(12) . .
N3 Cu2 O5 91.67(14) 1_645 .
O2 Cu2 O5 178.23(14) 1_545 .
O7 Cu2 O8 104.02(15) . .
N3 Cu2 O8 89.78(16) 1_645 .
O2 Cu2 O8 85.29(14) 1_545 .
O5 Cu2 O8 95.21(12) . .
C17 O1 Cu1 128.1(3) . 1_565
C17 O2 Cu2 131.7(3) . 1_565
C24 O3 Cu1 109.0(3) . 2_756
C25 O5 Cu2 126.3(3) . .
Cu1 O7 Cu2 134.95(16) . .
Cu1 O7 H1W 111(5) . .
Cu2 O7 H1W 113(5) . .
Cu2 O8 H2W 115(4) . .
Cu2 O8 H3W 97(4) . .
H2W O8 H3W 111(6) . .
O11 O9 H4W 110(5) . .
O10 O10 O11 155(4) 2_767 .
O9 O11 O10 116.4(16) . .
C15 N1 C14 105.0(4) . .
C15 N1 Cu1 128.7(3) . .
C14 N1 Cu1 126.2(3) . .
C15 N2 C13 108.0(4) . .
C15 N2 C12 124.8(5) . .
C13 N2 C12 127.1(5) . .
C3 N3 C1 106.4(4) . .
C3 N3 Cu2 127.5(3) . 1_465
C1 N3 Cu2 124.4(3) . 1_465
C3 N4 C2 107.1(4) . .
C3 N4 C5 125.8(4) . .
C2 N4 C5 126.9(5) . .
C2 C1 N3 109.7(4) . .
C2 C1 H1 125.2 . .
N3 C1 H1 125.2 . .
C1 C2 N4 106.6(5) . .
C1 C2 H2 126.7 . .
N4 C2 H2 126.7 . .
N3 C3 N4 110.2(4) . .
N3 C3 C4 126.8(5) . .
N4 C3 C4 122.9(5) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N4 C5 C6 112.0(4) . .
N4 C5 H5A 109.2 . .
C6 C5 H5A 109.2 . .
N4 C5 H5B 109.2 . .
C6 C5 H5B 109.2 . .
H5A C5 H5B 107.9 . .
C11 C6 C7 117.8(5) . .
C11 C6 C5 120.6(5) . .
C7 C6 C5 121.6(5) . .
C8 C7 C6 121.0(5) . .
C8 C7 H7A 119.5 . .
C6 C7 H7A 119.5 . .
C7 C8 C9 120.5(5) . .
C7 C8 H8 119.8 . .
C9 C8 H8 119.8 . .
C10 C9 C8 118.3(5) . .
C10 C9 C12 123.3(5) . .
C8 C9 C12 118.3(4) . .
C11 C10 C9 120.6(5) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C10 C11 C6 121.7(5) . .
C10 C11 H11 119.1 . .
C6 C11 H11 119.1 . .
N2 C12 C9 113.7(4) . .
N2 C12 H12A 108.8 . .
C9 C12 H12A 108.8 . .
N2 C12 H12B 108.8 . .
C9 C12 H12B 108.8 . .
H12A C12 H12B 107.7 . .
C14 C13 N2 106.2(5) . .
C14 C13 H13 126.9 . .
N2 C13 H13 126.9 . .
C13 C14 N1 110.3(5) . .
C13 C14 H14 124.9 . .
N1 C14 H14 124.9 . .
N1 C15 N2 110.4(4) . .
N1 C15 C16 126.5(5) . .
N2 C15 C16 123.0(4) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O1 C17 O2 128.0(4) . .
O1 C17 C18 115.9(4) . .
O2 C17 C18 116.1(4) . .
C23 C18 C19 119.4(4) . .
C23 C18 C17 120.8(4) . .
C19 C18 C17 119.7(4) . .
C18 C19 C20 121.8(4) . .
C18 C19 H19 119.1 . .
C20 C19 H19 119.1 . .
C19 C20 C21 119.2(4) . .
C19 C20 C24 118.9(4) . .
C21 C20 C24 121.9(4) . .
C20 C21 C22 119.1(4) . .
C20 C21 C25 122.4(4) . .
C22 C21 C25 118.5(4) . .
C23 C22 C21 120.5(4) . .
C23 C22 H22 119.7 . .
C21 C22 H22 119.7 . .
C18 C23 C22 120.0(4) . .
C18 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
O4 C24 O3 124.0(4) . .
O4 C24 C20 121.0(4) . .
O3 C24 C20 114.9(4) . .
O6 C25 O5 126.0(4) . .
O6 C25 C21 117.6(4) . .
O5 C25 C21 116.4(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O7 1.877(3) .
Cu1 O3 1.953(3) 2_756
Cu1 O1 1.970(3) 1_545
Cu1 N1 1.984(4) .
Cu2 O7 1.883(3) .
Cu2 N3 1.965(4) 1_645
Cu2 O2 1.977(3) 1_545
Cu2 O5 2.022(3) .
Cu2 O8 2.337(4) .
O1 C17 1.249(6) .
O1 Cu1 1.970(3) 1_565
O2 C17 1.252(5) .
O2 Cu2 1.977(3) 1_565
O3 C24 1.269(5) .
O3 Cu1 1.953(3) 2_756
O4 C24 1.233(5) .
O5 C25 1.267(5) .
O6 C25 1.240(5) .
O7 H1W 0.88(2) .
O8 H2W 0.841(19) .
O8 H3W 0.85(2) .
O9 O11 1.172(16) .
O9 H4W 0.89(2) .
O10 O10 0.92(3) 2_767
O10 O11 1.59(3) .
N1 C15 1.339(6) .
N1 C14 1.383(6) .
N2 C15 1.350(6) .
N2 C13 1.366(7) .
N2 C12 1.459(6) .
N3 C3 1.330(6) .
N3 C1 1.369(6) .
N3 Cu2 1.965(4) 1_465
N4 C3 1.348(6) .
N4 C2 1.383(6) .
N4 C5 1.473(6) .
C1 C2 1.341(7) .
C1 H1 0.9300 .
C2 H2 0.9300 .
C3 C4 1.483(7) .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C6 1.514(7) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C11 1.381(7) .
C6 C7 1.387(7) .
C7 C8 1.386(7) .
C7 H7A 0.9300 .
C8 C9 1.395(7) .
C8 H8 0.9300 .
C9 C10 1.382(7) .
C9 C12 1.517(7) .
C10 C11 1.380(7) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.347(7) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.478(7) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.518(6) .
C18 C23 1.375(6) .
C18 C19 1.386(6) .
C19 C20 1.386(5) .
C19 H19 0.9300 .
C20 C21 1.397(6) .
C20 C24 1.492(6) .
C21 C22 1.400(6) .
C21 C25 1.518(6) .
C22 C23 1.397(6) .
C22 H22 0.9300 .
C23 H23 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O7 H1W O4 0.88(2) 1.93(3) 2.781(4) 164(6) .
O8 H2W O9 0.841(19) 2.03(2) 2.865(6) 172(6) 2_757
O8 H3W O6 0.85(2) 1.90(3) 2.692(5) 156(5) .
O9 H4W O6 0.89(2) 1.90(3) 2.784(6) 168(7) .
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
O7 Cu2 O5 C25 84.3(4) .
N3 Cu2 O5 C25 -109.6(4) 1_645
O8 Cu2 O5 C25 -19.6(4) .
O1 Cu1 O7 Cu2 -14.8(3) 1_545
N1 Cu1 O7 Cu2 145.5(3) .
N3 Cu2 O7 Cu1 85.0(6) 1_645
O2 Cu2 O7 Cu1 -3.4(3) 1_545
O5 Cu2 O7 Cu1 175.7(3) .
O8 Cu2 O7 Cu1 -89.3(3) .
O10 O10 O11 O9 161(9) 2_767
O7 Cu1 N1 C15 -40.9(4) .
O3 Cu1 N1 C15 146.0(4) 2_756
O1 Cu1 N1 C15 71.2(6) 1_545
O7 Cu1 N1 C14 141.7(4) .
O3 Cu1 N1 C14 -31.5(4) 2_756
O1 Cu1 N1 C14 -106.2(5) 1_545
C3 N3 C1 C2 0.1(5) .
Cu2 N3 C1 C2 166.3(3) 1_465
N3 C1 C2 N4 0.1(5) .
C3 N4 C2 C1 -0.2(5) .
C5 N4 C2 C1 -175.0(4) .
C1 N3 C3 N4 -0.2(5) .
Cu2 N3 C3 N4 -165.8(3) 1_465
C1 N3 C3 C4 -178.8(4) .
Cu2 N3 C3 C4 15.6(7) 1_465
C2 N4 C3 N3 0.2(5) .
C5 N4 C3 N3 175.1(4) .
C2 N4 C3 C4 178.9(4) .
C5 N4 C3 C4 -6.3(7) .
C3 N4 C5 C6 -66.7(6) .
C2 N4 C5 C6 107.1(6) .
N4 C5 C6 C11 128.3(5) .
N4 C5 C6 C7 -52.1(7) .
C11 C6 C7 C8 -1.3(9) .
C5 C6 C7 C8 179.1(5) .
C6 C7 C8 C9 -0.1(10) .
C7 C8 C9 C10 1.2(9) .
C7 C8 C9 C12 -177.4(6) .
C8 C9 C10 C11 -0.9(9) .
C12 C9 C10 C11 177.6(5) .
C9 C10 C11 C6 -0.6(9) .
C7 C6 C11 C10 1.7(9) .
C5 C6 C11 C10 -178.7(5) .
C15 N2 C12 C9 82.8(6) .
C13 N2 C12 C9 -93.3(6) .
C10 C9 C12 N2 12.0(8) .
C8 C9 C12 N2 -169.5(5) .
C15 N2 C13 C14 0.0(5) .
C12 N2 C13 C14 176.7(4) .
N2 C13 C14 N1 -0.1(5) .
C15 N1 C14 C13 0.2(5) .
Cu1 N1 C14 C13 178.1(3) .
C14 N1 C15 N2 -0.2(5) .
Cu1 N1 C15 N2 -178.0(3) .
C14 N1 C15 C16 178.2(4) .
Cu1 N1 C15 C16 0.4(7) .
C13 N2 C15 N1 0.1(5) .
C12 N2 C15 N1 -176.6(4) .
C13 N2 C15 C16 -178.4(4) .
C12 N2 C15 C16 4.9(7) .
Cu1 O1 C17 O2 -37.7(8) 1_565
Cu1 O1 C17 C18 142.8(3) 1_565
Cu2 O2 C17 O1 0.8(8) 1_565
Cu2 O2 C17 C18 -179.7(3) 1_565
O1 C17 C18 C23 -168.3(5) .
O2 C17 C18 C23 12.1(7) .
O1 C17 C18 C19 8.0(7) .
O2 C17 C18 C19 -171.6(4) .
C23 C18 C19 C20 0.7(7) .
C17 C18 C19 C20 -175.6(4) .
C18 C19 C20 C21 1.3(7) .
C18 C19 C20 C24 178.4(4) .
C19 C20 C21 C22 -1.5(7) .
C24 C20 C21 C22 -178.5(4) .
C19 C20 C21 C25 177.2(4) .
C24 C20 C21 C25 0.2(7) .
C20 C21 C22 C23 -0.3(7) .
C25 C21 C22 C23 -179.1(4) .
C19 C18 C23 C22 -2.5(7) .
C17 C18 C23 C22 173.7(4) .
C21 C22 C23 C18 2.4(7) .
Cu1 O3 C24 O4 4.1(5) 2_756
Cu1 O3 C24 C20 -174.1(3) 2_756
C19 C20 C24 O4 -132.2(4) .
C21 C20 C24 O4 44.8(6) .
C19 C20 C24 O3 46.0(6) .
C21 C20 C24 O3 -137.0(4) .
Cu2 O5 C25 O6 18.5(7) .
Cu2 O5 C25 C21 -163.0(3) .
C20 C21 C25 O6 -123.8(5) .
C22 C21 C25 O6 54.9(6) .
C20 C21 C25 O5 57.5(6) .
C22 C21 C25 O5 -123.8(5) .
