#------------------------------------------------------------------------------
#$Date: 2016-05-06 04:06:20 +0300 (Fri, 06 May 2016) $
#$Revision: 182671 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/88/7038879.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_7038879
loop_
_publ_author_name
'Hussain, Navid'
'Bhardwaj, Vimal K.'
_publ_section_title
;
 The influence of different coordination environments on one-dimensional
 Cu(ii) coordination polymers for the photo-degradation of organic dyes.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7697
_journal_page_last               7707
_journal_paper_doi               10.1039/c6dt00612d
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C24 H22 Cu3 N8 O12, 3(C3 H7 N O)'
_chemical_formula_sum            'C33 H43 Cu3 N11 O15'
_chemical_formula_weight         1024.40
_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     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-04-06
_audit_creation_method
;
Olex2 1.2
(compiled 2014.11.28 svn.r3106 for OlexSys, GUI svn.r4959)
;
_audit_update_record
;
2015-06-10 deposited with the CCDC.
2016-03-24 downloaded from the CCDC.
;
_cell_angle_alpha                94.018(2)
_cell_angle_beta                 97.183(2)
_cell_angle_gamma                103.840(2)
_cell_formula_units_Z            2
_cell_length_a                   8.9275(4)
_cell_length_b                   14.7056(8)
_cell_length_c                   16.2494(9)
_cell_measurement_temperature    296.15
_cell_volume                     2044.00(18)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_unetI/netI     0.0178
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            68074
_diffrn_reflns_theta_full        28.58
_diffrn_reflns_theta_max         28.58
_diffrn_reflns_theta_min         2.38
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.629
_exptl_absorpt_correction_T_max  0.521
_exptl_absorpt_correction_T_min  0.462
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; (sheldrick, 2003)'
_exptl_crystal_colour            'clear greenish green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   greenish
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1050
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_refine_diff_density_max         2.006
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     575
_refine_ls_number_reflns         10373
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0301
_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)+(0.0420P)²+2.4730P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0825
_reflns_number_gt                9325
_reflns_number_total             10373
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt00612d2.cif
_cod_data_source_block           vb11
_cod_depositor_comments
'Adding full bibliography for 7038878--7038881.cif.'
_cod_database_code               7038879
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C17(H17), C19(H19), C25(H25), C11(H11), C10(H10), C31(H31),
 C20(H20), C18(H18), C15(H15), C28(H28), C7(H7), C2(H2), C1(H1), C4(H4), C3(H3),
  C22(H22)
2.b Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C33(H33A,H33B,H33C), C30(H30A,H30B,H30C), C27(H27A,H27B,
 H27C), C29(H29A,H29B,H29C), C32(H32A,H32B,H32C), C23(H23A,H23B,H23C), C24(H24A,
 H24B,H24C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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_calc_flag
_atom_site_refinement_flags_posn
Cu1 Cu 0.26639(2) 0.243937(15) 0.238345(13) 0.01147(6) Uani 1 d .
Cu2 Cu 0.01864(2) 0.436354(15) 0.066173(13) 0.01147(6) Uani 1 d .
Cu3 Cu 0.38911(2) 0.042248(15) 0.446633(13) 0.01220(6) Uani 1 d .
O4 O 0.12282(15) 0.48753(9) -0.02490(8) 0.0141(2) Uani 1 d .
O3 O -0.05842(15) 0.38912(9) 0.16693(8) 0.0151(3) Uani 1 d .
O6 O 0.35915(16) 0.18841(9) 0.14567(8) 0.0157(3) Uani 1 d .
O9 O 0.50481(16) 0.33207(10) 0.26993(9) 0.0202(3) Uani 1 d .
O2 O 0.22311(15) 0.10916(10) 0.45054(8) 0.0160(3) Uani 1 d .
O7 O 0.11985(18) 0.10328(11) 0.12327(10) 0.0263(3) Uani 1 d .
N3 N 0.10069(17) 0.25074(11) 0.30379(9) 0.0122(3) Uani 1 d .
O14 O 0.1873(2) 0.58203(13) 0.21830(13) 0.0420(5) Uani 1 d .
N7 N 0.2546(2) 0.11699(12) 0.10640(10) 0.0192(3) Uani 1 d .
O8 O 0.2938(2) 0.06540(11) 0.05438(10) 0.0310(4) Uani 1 d .
O13 O 0.3831(2) 0.77320(12) 0.47154(11) 0.0324(4) Uani 1 d .
N5 N 0.18073(17) 0.37443(10) 0.10169(9) 0.0114(3) Uani 1 d .
N2 N 0.29952(18) 0.15425(11) 0.32604(9) 0.0129(3) Uani 1 d .
O15 O 0.2378(2) 0.88683(14) 0.24545(11) 0.0386(4) Uani 1 d .
N9 N 0.1355(2) 0.55197(13) 0.34927(13) 0.0270(4) Uani 1 d .
N6 N 0.5198(2) 0.38690(12) 0.33615(11) 0.0201(3) Uani 1 d .
N1 N 0.40848(18) 0.10219(11) 0.34487(9) 0.0128(3) Uani 1 d .
C16 C 0.3250(2) 0.40301(12) -0.01354(11) 0.0126(3) Uani 1 d .
O10 O 0.4036(2) 0.38471(14) 0.37228(13) 0.0408(5) Uani 1 d .
C12 C -0.1215(2) 0.30737(13) 0.32298(11) 0.0143(3) Uani 1 d .
H12 H -0.1927 0.3413 0.3050 0.017 Uiso 1 calc R
N10 N 0.5471(2) 0.72051(14) 0.39584(12) 0.0285(4) Uani 1 d .
C21 C 0.2405(2) 0.46066(12) -0.05549(11) 0.0125(3) Uani 1 d .
O11 O 0.64903(19) 0.43871(12) 0.36470(12) 0.0344(4) Uani 1 d .
N11 N 0.0143(2) 0.84194(13) 0.15284(12) 0.0247(4) Uani 1 d .
C17 C 0.4490(2) 0.37905(13) -0.04830(12) 0.0148(3) Uani 1 d .
H17 H 0.5043 0.3415 -0.0203 0.018 Uiso 1 calc R
C19 C 0.4078(2) 0.46624(14) -0.16283(12) 0.0177(4) Uani 1 d .
H19 H 0.4348 0.4877 -0.2128 0.021 Uiso 1 calc R
C13 C -0.0005(2) 0.30049(12) 0.27894(11) 0.0123(3) Uani 1 d .
C25 C 0.1549(3) 0.89480(15) 0.18162(14) 0.0242(4) Uani 1 d .
H25 H 0.1953 0.9431 0.1504 0.029 Uiso 1 calc R
C11 C -0.1324(2) 0.26152(13) 0.39523(11) 0.0151(3) Uani 1 d .
H11 H -0.2112 0.2655 0.4267 0.018 Uiso 1 calc R
C10 C -0.0258(2) 0.20985(13) 0.42053(11) 0.0140(3) Uani 1 d .
H10 H -0.0320 0.1792 0.4686 0.017 Uiso 1 calc R
C31 C 0.4846(3) 0.73089(19) 0.46316(17) 0.0374(6) Uani 1 d .
H31 H 0.5202 0.7037 0.5093 0.045 Uiso 1 calc R
C8 C 0.2106(2) 0.15201(12) 0.38562(11) 0.0130(3) Uani 1 d .
C20 C 0.2857(2) 0.49151(13) -0.13043(12) 0.0165(4) Uani 1 d .
H20 H 0.2326 0.5297 -0.1589 0.020 Uiso 1 calc R
C14 C 0.0326(2) 0.34434(12) 0.20156(11) 0.0126(3) Uani 1 d .
C26 C -0.0554(4) 0.7627(2) 0.19623(19) 0.0496(8) Uani 1 d .
H26A H -0.0568 0.7049 0.1645 0.074 Uiso 1 calc GR
H26B H -0.1601 0.7645 0.2026 0.074 Uiso 1 calc GR
H26C H 0.0049 0.7665 0.2502 0.074 Uiso 1 calc GR
C18 C 0.4912(2) 0.40930(13) -0.12235(12) 0.0169(4) Uani 1 d .
H18 H 0.5728 0.3923 -0.1446 0.020 Uiso 1 calc R
C33 C 0.4988(4) 0.7646(2) 0.32068(17) 0.0415(6) Uani 1 d .
H33A H 0.4195 0.7959 0.3317 0.062 Uiso 1 calc GR
H33B H 0.4584 0.7167 0.2746 0.062 Uiso 1 calc GR
H33C H 0.5872 0.8094 0.3072 0.062 Uiso 1 calc GR
C9 C 0.0898(2) 0.20557(12) 0.37174(11) 0.0125(3) Uani 1 d .
C15 C 0.2964(2) 0.36607(12) 0.06451(11) 0.0132(3) Uani 1 d .
H15 H 0.3657 0.3344 0.0894 0.016 Uiso 1 calc R
C30 C -0.0026(3) 0.5879(2) 0.34216(19) 0.0426(6) Uani 1 d .
H30A H 0.0189 0.6468 0.3763 0.064 Uiso 1 calc GR
H30B H -0.0864 0.5435 0.3604 0.064 Uiso 1 calc GR
H30C H -0.0319 0.5971 0.2851 0.064 Uiso 1 calc GR
C27 C -0.0687(3) 0.8563(2) 0.07465(17) 0.0398(6) Uani 1 d .
H27A H -0.0096 0.9107 0.0533 0.060 Uiso 1 calc GR
H27B H -0.1685 0.8658 0.0833 0.060 Uiso 1 calc GR
H27C H -0.0831 0.8020 0.0353 0.060 Uiso 1 calc GR
C28 C 0.2174(3) 0.55377(16) 0.28548(17) 0.0336(5) Uani 1 d .
H28 H 0.3064 0.5311 0.2934 0.040 Uiso 1 calc R
C29 C 0.1841(3) 0.52169(18) 0.42825(16) 0.0359(5) Uani 1 d .
H29A H 0.2027 0.5730 0.4712 0.054 Uiso 1 calc GR
H29B H 0.2783 0.5016 0.4259 0.054 Uiso 1 calc GR
H29C H 0.1038 0.4703 0.4404 0.054 Uiso 1 calc GR
C32 C 0.6751(4) 0.6788(3) 0.3909(3) 0.0693(11) Uani 1 d .
H32A H 0.7680 0.7271 0.3891 0.104 Uiso 1 calc GR
H32B H 0.6536 0.6356 0.3413 0.104 Uiso 1 calc GR
H32C H 0.6896 0.6456 0.4389 0.104 Uiso 1 calc GR
N4 N 0.16104(18) 0.33152(11) 0.17451(9) 0.0125(3) Uani 1 d .
C7 C 0.5094(2) 0.10078(13) 0.29523(11) 0.0132(3) Uani 1 d .
H7 H 0.5028 0.1329 0.2482 0.016 Uiso 1 calc R
O1 O 0.57740(15) -0.00188(9) 0.44006(8) 0.0139(2) Uani 1 d .
C5 C 0.6660(2) 0.00691(12) 0.37895(11) 0.0126(3) Uani 1 d .
C6 C 0.6323(2) 0.05271(12) 0.30761(11) 0.0128(3) Uani 1 d .
C2 C 0.8551(2) 0.01902(14) 0.25022(12) 0.0175(4) Uani 1 d .
H2 H 0.9161 0.0218 0.2076 0.021 Uiso 1 calc R
C1 C 0.7286(2) 0.05761(13) 0.24478(11) 0.0157(3) Uani 1 d .
H1 H 0.7059 0.0879 0.1982 0.019 Uiso 1 calc R
C4 C 0.7980(2) -0.02992(14) 0.38427(12) 0.0178(4) Uani 1 d .
H4 H 0.8244 -0.0587 0.4312 0.021 Uiso 1 calc R
C3 C 0.8894(2) -0.02430(14) 0.32113(12) 0.0187(4) Uani 1 d .
H3 H 0.9753 -0.0500 0.3262 0.022 Uiso 1 calc R
O12 O 0.22148(19) -0.10151(11) 0.40992(11) 0.0244(3) Uani 1 d .
O5 O -0.1139(2) 0.30472(12) -0.01778(12) 0.0360(4) Uani 1 d .
N8 N -0.3352(2) 0.18846(13) -0.04297(11) 0.0240(4) Uani 1 d .
C22 C -0.2329(2) 0.26247(15) -0.06345(14) 0.0224(4) Uani 1 d .
H22 H -0.2536 0.2830 -0.1155 0.027 Uiso 1 calc R
C23 C -0.3095(3) 0.1541(2) 0.03829(15) 0.0368(6) Uani 1 d .
H23A H -0.2138 0.1921 0.0695 0.055 Uiso 1 calc GR
H23B H -0.3033 0.0899 0.0309 0.055 Uiso 1 calc GR
H23C H -0.3945 0.1579 0.0681 0.055 Uiso 1 calc GR
C24 C -0.4718(3) 0.1375(2) -0.09975(16) 0.0374(6) Uani 1 d .
H24A H -0.4763 0.1667 -0.1507 0.056 Uiso 1 calc GR
H24B H -0.5635 0.1383 -0.0748 0.056 Uiso 1 calc GR
H24C H -0.4664 0.0736 -0.1115 0.056 Uiso 1 calc GR
H12A H 0.214(4) -0.105(2) 0.360(2) 0.045(9) Uiso 1 d .
H12B H 0.269(4) -0.136(2) 0.429(2) 0.042(9) Uiso 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
O6 Cu1 O9 82.15(5) . .
O6 Cu1 N2 99.09(6) . .
O6 Cu1 N4 99.81(6) . .
N3 Cu1 O6 154.12(6) . .
N3 Cu1 O9 123.60(6) . .
N3 Cu1 N2 78.64(6) . .
N3 Cu1 N4 79.22(6) . .
N2 Cu1 O9 93.18(6) . .
N4 Cu1 O9 100.94(6) . .
N4 Cu1 N2 157.75(6) . .
O4 Cu2 Cu2 39.98(4) 2_565 2_565
O4 Cu2 Cu2 40.48(4) . 2_565
O4 Cu2 O4 80.46(6) . 2_565
O4 Cu2 O3 172.29(6) . .
O4 Cu2 O5 94.17(6) 2_565 .
O4 Cu2 O5 91.09(7) . .
O3 Cu2 Cu2 144.58(4) . 2_565
O3 Cu2 O4 104.91(5) . 2_565
O3 Cu2 O5 93.99(7) . .
N5 Cu2 Cu2 133.02(4) . 2_565
N5 Cu2 O4 92.67(6) . .
N5 Cu2 O4 172.00(6) . 2_565
N5 Cu2 O3 81.55(6) . .
N5 Cu2 O5 90.02(6) . .
O5 Cu2 Cu2 93.45(5) . 2_565
O2 Cu3 Cu3 143.28(4) . 2_656
O2 Cu3 O1 104.47(5) . 2_656
O2 Cu3 O12 94.43(6) . .
N1 Cu3 Cu3 131.50(5) . 2_656
N1 Cu3 O2 81.25(6) . .
N1 Cu3 O1 92.29(6) . .
N1 Cu3 O1 165.52(6) . 2_656
N1 Cu3 O12 106.36(7) . .
O1 Cu3 Cu3 40.36(4) . 2_656
O1 Cu3 Cu3 39.64(4) 2_656 2_656
O1 Cu3 O2 169.63(6) . .
O1 Cu3 O1 80.00(6) . 2_656
O1 Cu3 O12 95.17(6) . .
O1 Cu3 O12 86.66(6) 2_656 .
O12 Cu3 Cu3 91.15(4) . 2_656
Cu2 O4 Cu2 99.54(6) . 2_565
C21 O4 Cu2 126.36(11) . .
C21 O4 Cu2 133.08(11) . 2_565
C14 O3 Cu2 109.54(11) . .
N7 O6 Cu1 108.17(11) . .
N6 O9 Cu1 111.26(11) . .
C8 O2 Cu3 109.67(11) . .
C13 N3 Cu1 118.92(12) . .
C9 N3 Cu1 119.61(12) . .
C9 N3 C13 121.46(15) . .
O7 N7 O6 118.30(16) . .
O8 N7 O6 118.50(17) . .
O8 N7 O7 123.19(18) . .
C15 N5 Cu2 127.82(12) . .
C15 N5 N4 118.41(15) . .
N4 N5 Cu2 113.71(11) . .
N1 N2 Cu1 134.87(11) . .
C8 N2 Cu1 114.79(12) . .
C8 N2 N1 109.76(14) . .
C28 N9 C30 119.8(2) . .
C28 N9 C29 122.8(2) . .
C29 N9 C30 117.2(2) . .
O10 N6 O9 118.86(17) . .
O11 N6 O9 119.59(17) . .
O11 N6 O10 121.52(19) . .
N2 N1 Cu3 114.07(11) . .
C7 N1 Cu3 128.07(12) . .
C7 N1 N2 117.85(15) . .
C21 C16 C15 125.33(16) . .
C17 C16 C21 119.37(16) . .
C17 C16 C15 115.30(16) . .
C13 C12 C11 117.63(16) . .
C31 N10 C33 119.6(2) . .
C31 N10 C32 124.6(3) . .
C32 N10 C33 115.4(3) . .
O4 C21 C16 122.34(16) . .
O4 C21 C20 119.98(16) . .
C20 C21 C16 117.67(16) . .
C25 N11 C26 120.3(2) . .
C25 N11 C27 121.0(2) . .
C27 N11 C26 118.5(2) . .
C18 C17 C16 122.23(17) . .
C20 C19 C18 121.47(17) . .
N3 C13 C12 121.39(16) . .
N3 C13 C14 112.44(15) . .
C12 C13 C14 126.17(16) . .
O15 C25 N11 126.6(2) . .
C10 C11 C12 120.39(16) . .
C9 C10 C11 117.95(16) . .
O13 C31 N10 126.3(3) . .
O2 C8 N2 125.17(16) . .
O2 C8 C9 120.59(16) . .
N2 C8 C9 114.24(15) . .
C19 C20 C21 121.34(17) . .
O3 C14 C13 120.27(16) . .
O3 C14 N4 125.54(16) . .
N4 C14 C13 114.19(15) . .
C17 C18 C19 117.92(17) . .
N3 C9 C10 121.16(16) . .
N3 C9 C8 112.21(15) . .
C10 C9 C8 126.62(16) . .
N5 C15 C16 123.77(16) . .
O14 C28 N9 126.6(2) . .
N5 N4 Cu1 134.94(11) . .
C14 N4 Cu1 114.92(12) . .
C14 N4 N5 109.66(14) . .
N1 C7 C6 124.40(16) . .
Cu3 O1 Cu3 100.00(6) . 2_656
C5 O1 Cu3 127.64(11) . .
C5 O1 Cu3 131.75(11) . 2_656
O1 C5 C6 122.39(16) . .
O1 C5 C4 120.01(16) . .
C4 C5 C6 117.60(16) . .
C5 C6 C7 124.86(16) . .
C1 C6 C7 115.66(16) . .
C1 C6 C5 119.39(16) . .
C1 C2 C3 118.24(17) . .
C2 C1 C6 122.10(17) . .
C3 C4 C5 121.42(17) . .
C4 C3 C2 121.22(17) . .
C22 O5 Cu2 148.33(16) . .
C22 N8 C23 120.3(2) . .
C22 N8 C24 122.4(2) . .
C24 N8 C23 117.2(2) . .
O5 C22 N8 123.8(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O6 2.0207(13) .
Cu1 O9 2.1880(14) .
Cu1 N3 1.9438(15) .
Cu1 N2 2.0499(15) .
Cu1 N4 2.0352(15) .
Cu2 Cu2 2.9871(4) 2_565
Cu2 O4 1.9460(13) .
Cu2 O4 1.9665(12) 2_565
Cu2 O3 1.9618(13) .
Cu2 N5 1.9369(15) .
Cu2 O5 2.2670(16) .
Cu3 Cu3 3.0153(4) 2_656
Cu3 O2 1.9701(13) .
Cu3 N1 1.9350(15) .
Cu3 O1 1.9532(12) .
Cu3 O1 1.9830(12) 2_656
Cu3 O12 2.2696(16) .
O4 Cu2 1.9665(12) 2_565
O4 C21 1.344(2) .
O3 C14 1.267(2) .
O6 N7 1.292(2) .
O9 N6 1.271(2) .
O2 C8 1.273(2) .
O7 N7 1.240(2) .
N3 C13 1.334(2) .
N3 C9 1.330(2) .
O14 C28 1.217(3) .
N7 O8 1.234(2) .
O13 C31 1.231(3) .
N5 C15 1.286(2) .
N5 N4 1.3904(19) .
N2 N1 1.393(2) .
N2 C8 1.324(2) .
O15 C25 1.227(3) .
N9 C30 1.448(3) .
N9 C28 1.340(3) .
N9 C29 1.438(3) .
N6 O10 1.250(2) .
N6 O11 1.234(2) .
N1 C7 1.285(2) .
C16 C21 1.418(2) .
C16 C17 1.409(2) .
C16 C15 1.442(2) .
C12 C13 1.387(2) .
C12 C11 1.397(2) .
N10 C31 1.304(3) .
N10 C33 1.486(3) .
N10 C32 1.428(4) .
C21 C20 1.402(2) .
N11 C25 1.316(3) .
N11 C26 1.456(3) .
N11 C27 1.444(3) .
C17 C18 1.377(3) .
C19 C20 1.383(3) .
C19 C18 1.393(3) .
C13 C14 1.483(2) .
C11 C10 1.394(2) .
C10 C9 1.388(2) .
C8 C9 1.484(2) .
C14 N4 1.327(2) .
C7 C6 1.442(2) .
O1 Cu3 1.9830(12) 2_656
O1 C5 1.339(2) .
C5 C6 1.417(2) .
C5 C4 1.406(2) .
C6 C1 1.410(2) .
C2 C1 1.377(3) .
C2 C3 1.391(3) .
C4 C3 1.384(3) .
O5 C22 1.220(3) .
N8 C22 1.334(3) .
N8 C23 1.457(3) .
N8 C24 1.444(3) .
