#------------------------------------------------------------------------------
#$Date: 2019-11-24 00:08:47 +0200 (Sun, 24 Nov 2019) $
#$Revision: 235700 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/90/7059099.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_7059099
loop_
_publ_author_name
'Mandal, Leena'
'Mandal, Shuvankar'
'Mohanta, Sasankasekhar'
_publ_section_title
;
 Syntheses, crystal structures, magnetochemistry and catechol oxidase
 activity of a tetracopper(ii) compound and a new type of
 dicopper(ii)-based 1D coordination polymer
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4689
_journal_paper_doi               10.1039/C7NJ00286F
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'C52 H80 Cu4 N12 O14'
_chemical_formula_weight         1351.44
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-04-24 deposited with the CCDC.
2017-05-03 downloaded from the CCDC.
;
_cell_angle_alpha                113.592(3)
_cell_angle_beta                 107.578(3)
_cell_angle_gamma                91.012(3)
_cell_formula_units_Z            1
_cell_length_a                   11.885(3)
_cell_length_b                   11.937(3)
_cell_length_c                   12.243(3)
_cell_measurement_reflns_used    2094
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.81
_cell_measurement_theta_min      2.40
_cell_volume                     1498.2(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_av_unetI/netI     0.0794
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10136
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        24.797
_diffrn_reflns_theta_max         24.797
_diffrn_reflns_theta_min         1.820
_exptl_absorpt_coefficient_mu    1.472
_exptl_absorpt_correction_T_max  0.809
_exptl_absorpt_correction_T_min  0.757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.574
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         5068
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.0859
_refine_ls_R_factor_gt           0.0505
_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)+(0.0833P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1280
_refine_ls_wR_factor_ref         0.1492
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3348
_reflns_number_total             5068
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7nj00286f2.cif
_cod_data_source_block           CCDC1528283
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        1498.3(7)
_cod_database_code               7059099
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.757
_shelx_estimated_absorpt_t_max   0.809
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 1.1269(4) 0.4371(4) 0.7526(5) 0.0316(11) Uani 1 1 d . .
C2 C 1.2290(4) 0.5054(5) 0.8601(5) 0.0348(12) Uani 1 1 d . .
C3 C 1.3128(4) 0.4429(5) 0.9089(5) 0.0406(13) Uani 1 1 d . .
H3 H 1.3796 0.4894 0.9789 0.049 Uiso 1 1 calc R U
C4 C 1.3023(5) 0.3153(5) 0.8589(5) 0.0423(13) Uani 1 1 d . .
C5 C 1.2000(4) 0.2500(5) 0.7582(5) 0.0374(12) Uani 1 1 d . .
H5 H 1.1887 0.1640 0.7244 0.045 Uiso 1 1 calc R U
C6 C 1.1126(4) 0.3072(5) 0.7045(5) 0.0337(12) Uani 1 1 d . .
C7 C 1.3982(5) 0.2556(6) 0.9198(7) 0.0657(19) Uani 1 1 d . .
H7A H 1.4697 0.2708 0.9021 0.079 Uiso 1 1 calc R U
H7B H 1.4169 0.2978 1.0108 0.079 Uiso 1 1 calc R U
C8 C 1.3722(7) 0.1236(7) 0.8828(8) 0.105(3) Uani 1 1 d . .
H8A H 1.2946 0.1040 0.8852 0.158 Uiso 1 1 calc R U
H8B H 1.4314 0.1009 0.9401 0.158 Uiso 1 1 calc R U
H8C H 1.3736 0.0786 0.7984 0.158 Uiso 1 1 calc R U
C9 C 1.0028(4) 0.2271(4) 0.6081(5) 0.0349(12) Uani 1 1 d . .
H9 H 0.9960 0.1440 0.5930 0.042 Uiso 1 1 calc R U
C10 C 0.8054(4) 0.1653(4) 0.4650(5) 0.0368(12) Uani 1 1 d . .
H10A H 0.8224 0.0853 0.4625 0.044 Uiso 1 1 calc R U
H10B H 0.7785 0.1580 0.3790 0.044 Uiso 1 1 calc R U
C11 C 0.7078(4) 0.2057(5) 0.5247(5) 0.0416(13) Uani 1 1 d . .
H11A H 0.7264 0.1921 0.6008 0.050 Uiso 1 1 calc R U
H11B H 0.7078 0.2936 0.5492 0.050 Uiso 1 1 calc R U
C12 C 0.5856(4) 0.1369(5) 0.4369(5) 0.0446(14) Uani 1 1 d . .
H12A H 0.5684 0.1477 0.3594 0.053 Uiso 1 1 calc R U
H12B H 0.5848 0.0493 0.4152 0.053 Uiso 1 1 calc R U
C13 C 0.4750(5) 0.3046(5) 0.5082(7) 0.0637(18) Uani 1 1 d . .
H13A H 0.4582 0.3088 0.4275 0.076 Uiso 1 1 calc R U
H13B H 0.5484 0.3609 0.5666 0.076 Uiso 1 1 calc R U
C14 C 0.3749(6) 0.3441(6) 0.5578(7) 0.081(2) Uani 1 1 d . .
H14A H 0.3941 0.3447 0.6409 0.097 Uiso 1 1 calc R U
H14B H 0.3663 0.4278 0.5670 0.097 Uiso 1 1 calc R U
C15 C 0.2789(5) 0.1435(7) 0.4635(7) 0.076(2) Uani 1 1 d . .
H15A H 0.2042 0.0881 0.4084 0.092 Uiso 1 1 calc R U
H15B H 0.2984 0.1418 0.5456 0.092 Uiso 1 1 calc R U
C16 C 0.3762(5) 0.0991(5) 0.4092(6) 0.0554(16) Uani 1 1 d . .
H16A H 0.3826 0.0149 0.3993 0.066 Uiso 1 1 calc R U
H16B H 0.3561 0.0990 0.3263 0.066 Uiso 1 1 calc R U
C17 C 1.2456(4) 0.6403(5) 0.9339(5) 0.0401(13) Uani 1 1 d . .
H17 H 1.3122 0.6752 1.0072 0.048 Uiso 1 1 calc R U
C18 C 1.1990(5) 0.8409(5) 1.0087(5) 0.0516(15) Uani 1 1 d . .
H18A H 1.1930 0.9003 0.9724 0.062 Uiso 1 1 calc R U
H18B H 1.2790 0.8580 1.0690 0.062 Uiso 1 1 calc R U
C19 C 1.1084(5) 0.8550(5) 1.0765(5) 0.0568(16) Uani 1 1 d . .
H19A H 1.1299 0.9364 1.1469 0.068 Uiso 1 1 calc R U
H19B H 1.1156 0.7945 1.1116 0.068 Uiso 1 1 calc R U
C20 C 0.9781(5) 0.8399(5) 0.9976(6) 0.0592(17) Uani 1 1 d . .
H20A H 0.9322 0.8651 1.0545 0.071 Uiso 1 1 calc R U
H20B H 0.9718 0.8968 0.9582 0.071 Uiso 1 1 calc R U
C21 C 0.7965(5) 0.7214(5) 0.8336(6) 0.0547(16) Uani 1 1 d . .
H21A H 0.7957 0.7732 0.7894 0.066 Uiso 1 1 calc R U
H21B H 0.7592 0.7600 0.8971 0.066 Uiso 1 1 calc R U
C22 C 0.7240(5) 0.5945(6) 0.7396(6) 0.0575(16) Uani 1 1 d . .
H22A H 0.6420 0.6035 0.7029 0.069 Uiso 1 1 calc R U
H22B H 0.7566 0.5587 0.6717 0.069 Uiso 1 1 calc R U
C23 C 0.8462(5) 0.5023(5) 0.8553(6) 0.0522(15) Uani 1 1 d . .
H23A H 0.8811 0.4661 0.7894 0.063 Uiso 1 1 calc R U
H23B H 0.8470 0.4467 0.8954 0.063 Uiso 1 1 calc R U
C24 C 0.9209(5) 0.6249(5) 0.9521(5) 0.0501(15) Uani 1 1 d . .
H24A H 0.8896 0.6584 1.0214 0.060 Uiso 1 1 calc R U
H24B H 1.0022 0.6125 0.9862 0.060 Uiso 1 1 calc R U
C25 C 0.6835(5) 0.3492(6) 0.3130(6) 0.0521(15) Uani 1 1 d . .
C26 C 1.0303(4) 0.9127(5) 0.7166(5) 0.0403(13) Uani 1 1 d . .
Cu1 Cu 0.91832(5) 0.41987(5) 0.53292(5) 0.0313(2) Uani 1 1 d . .
Cu2 Cu 1.04854(5) 0.67285(5) 0.74613(6) 0.0360(2) Uani 1 1 d . .
N1 N 0.9145(3) 0.2591(4) 0.5420(4) 0.0311(9) Uani 1 1 d . .
N2 N 0.4910(3) 0.1791(4) 0.4921(4) 0.0407(11) Uani 1 1 d . .
N3 N 1.1776(4) 0.7142(4) 0.9074(4) 0.0378(10) Uani 1 1 d . .
N4 N 0.9214(4) 0.7143(4) 0.8970(4) 0.0414(11) Uani 1 1 d . .
N5 N 0.7787(4) 0.3759(4) 0.3843(4) 0.0469(12) Uani 1 1 d . .
N6 N 1.0435(4) 0.8394(4) 0.7565(4) 0.0501(12) Uani 1 1 d . .
O1 O 1.0451(3) 0.4932(3) 0.7030(3) 0.0322(8) Uani 1 1 d . .
O2 O 0.9403(3) 0.5952(3) 0.5737(3) 0.0340(8) Uani 1 1 d D .
O3 O 0.2650(4) 0.2644(5) 0.4765(5) 0.0736(13) Uani 1 1 d . .
O4 O 0.7261(3) 0.5141(4) 0.7999(4) 0.0565(11) Uani 1 1 d . .
O5 O 0.5850(4) 0.3224(6) 0.2373(5) 0.111(2) Uani 1 1 d . .
O6 O 1.0168(4) 0.9910(4) 0.6789(4) 0.0636(12) Uani 1 1 d . .
O7 O 0.6019(7) 0.2816(8) 0.7684(7) 0.152(3) Uani 1 1 d G .
H7C H 0.5903 0.2329 0.8004 0.228 Uiso 1 1 d G U
H7D H 0.5608 0.2499 0.6901 0.228 Uiso 1 1 d G U
H2 H 0.892(4) 0.638(5) 0.551(6) 0.07(2) Uiso 1 1 d 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'
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
O1 C1 C6 121.1(4) . .
O1 C1 C2 121.4(4) . .
C6 C1 C2 117.4(4) . .
C3 C2 C1 119.5(5) . .
C3 C2 C17 116.5(5) . .
C1 C2 C17 123.5(5) . .
C4 C3 C2 123.5(5) . .
C4 C3 H3 118.3 . .
C2 C3 H3 118.3 . .
C5 C4 C3 116.4(5) . .
C5 C4 C7 124.0(5) . .
C3 C4 C7 119.6(5) . .
C4 C5 C6 122.9(5) . .
C4 C5 H5 118.5 . .
C6 C5 H5 118.5 . .
C5 C6 C1 120.1(5) . .
C5 C6 C9 116.8(5) . .
C1 C6 C9 122.7(4) . .
C8 C7 C4 117.8(6) . .
C8 C7 H7A 107.9 . .
C4 C7 H7A 107.9 . .
C8 C7 H7B 107.9 . .
C4 C7 H7B 107.9 . .
H7A C7 H7B 107.2 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N1 C9 C6 126.9(5) . .
N1 C9 H9 116.5 . .
C6 C9 H9 116.5 . .
N1 C10 C11 108.7(4) . .
N1 C10 H10A 110.0 . .
C11 C10 H10A 110.0 . .
N1 C10 H10B 110.0 . .
C11 C10 H10B 110.0 . .
H10A C10 H10B 108.3 . .
C12 C11 C10 112.7(4) . .
C12 C11 H11A 109.0 . .
C10 C11 H11A 109.0 . .
C12 C11 H11B 109.0 . .
C10 C11 H11B 109.0 . .
H11A C11 H11B 107.8 . .
N2 C12 C11 112.8(4) . .
N2 C12 H12A 109.0 . .
C11 C12 H12A 109.0 . .
N2 C12 H12B 109.0 . .
C11 C12 H12B 109.0 . .
H12A C12 H12B 107.8 . .
N2 C13 C14 111.3(5) . .
N2 C13 H13A 109.4 . .
C14 C13 H13A 109.4 . .
N2 C13 H13B 109.4 . .
C14 C13 H13B 109.4 . .
H13A C13 H13B 108.0 . .
O3 C14 C13 111.9(6) . .
O3 C14 H14A 109.2 . .
C13 C14 H14A 109.2 . .
O3 C14 H14B 109.2 . .
C13 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
O3 C15 C16 111.2(5) . .
O3 C15 H15A 109.4 . .
C16 C15 H15A 109.4 . .
O3 C15 H15B 109.4 . .
C16 C15 H15B 109.4 . .
H15A C15 H15B 108.0 . .
N2 C16 C15 110.7(5) . .
N2 C16 H16A 109.5 . .
C15 C16 H16A 109.5 . .
N2 C16 H16B 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 108.1 . .
N3 C17 C2 126.5(5) . .
N3 C17 H17 116.8 . .
C2 C17 H17 116.8 . .
N3 C18 C19 110.7(4) . .
N3 C18 H18A 109.5 . .
C19 C18 H18A 109.5 . .
N3 C18 H18B 109.5 . .
C19 C18 H18B 109.5 . .
H18A C18 H18B 108.1 . .
C18 C19 C20 116.6(5) . .
C18 C19 H19A 108.1 . .
C20 C19 H19A 108.1 . .
C18 C19 H19B 108.1 . .
C20 C19 H19B 108.1 . .
H19A C19 H19B 107.3 . .
N4 C20 C19 116.8(5) . .
N4 C20 H20A 108.1 . .
C19 C20 H20A 108.1 . .
N4 C20 H20B 108.1 . .
C19 C20 H20B 108.1 . .
H20A C20 H20B 107.3 . .
N4 C21 C22 112.4(5) . .
N4 C21 H21A 109.1 . .
C22 C21 H21A 109.1 . .
N4 C21 H21B 109.1 . .
C22 C21 H21B 109.1 . .
H21A C21 H21B 107.8 . .
O4 C22 C21 111.0(5) . .
O4 C22 H22A 109.4 . .
C21 C22 H22A 109.4 . .
O4 C22 H22B 109.4 . .
C21 C22 H22B 109.4 . .
H22A C22 H22B 108.0 . .
O4 C23 C24 112.2(5) . .
O4 C23 H23A 109.2 . .
C24 C23 H23A 109.2 . .
O4 C23 H23B 109.2 . .
C24 C23 H23B 109.2 . .
H23A C23 H23B 107.9 . .
N4 C24 C23 111.6(5) . .
N4 C24 H24A 109.3 . .
C23 C24 H24A 109.3 . .
N4 C24 H24B 109.3 . .
C23 C24 H24B 109.3 . .
H24A C24 H24B 108.0 . .
N5 C25 O5 178.7(7) . .
N6 C26 O6 178.1(6) . .
N5 Cu1 O2 95.40(17) . .
N5 Cu1 N1 97.90(17) . .
O2 Cu1 N1 164.35(15) . .
N5 Cu1 O1 168.14(16) . .
O2 Cu1 O1 76.62(14) . .
N1 Cu1 O1 88.92(14) . .
N5 Cu1 O2 95.54(16) . 2_766
O2 Cu1 O2 85.93(13) . 2_766
N1 Cu1 O2 100.92(14) . 2_766
O1 Cu1 O2 92.66(13) . 2_766
O2 Cu2 N6 93.86(17) . .
O2 Cu2 N3 165.43(16) . .
N6 Cu2 N3 98.01(18) . .
O2 Cu2 O1 76.93(14) . .
N6 Cu2 O1 169.96(17) . .
N3 Cu2 O1 90.56(15) . .
O2 Cu2 N4 108.03(14) . .
N6 Cu2 N4 90.47(17) . .
N3 Cu2 N4 80.40(16) . .
O1 Cu2 N4 96.14(13) . .
C9 N1 C10 116.5(4) . .
C9 N1 Cu1 124.4(3) . .
C10 N1 Cu1 119.1(3) . .
C13 N2 C16 107.2(4) . .
C13 N2 C12 111.6(4) . .
C16 N2 C12 110.5(4) . .
C17 N3 C18 116.1(5) . .
C17 N3 Cu2 125.7(4) . .
C18 N3 Cu2 118.3(3) . .
C21 N4 C24 108.4(4) . .
C21 N4 C20 107.5(4) . .
C24 N4 C20 110.7(5) . .
C21 N4 Cu2 111.7(3) . .
C24 N4 Cu2 115.4(3) . .
C20 N4 Cu2 102.9(3) . .
C25 N5 Cu1 165.5(5) . .
C26 N6 Cu2 155.2(5) . .
C1 O1 Cu2 128.9(3) . .
C1 O1 Cu1 127.4(3) . .
Cu2 O1 Cu1 100.81(14) . .
Cu2 O2 Cu1 104.93(16) . .
Cu2 O2 Cu1 98.89(14) . 2_766
Cu1 O2 Cu1 94.07(13) . 2_766
Cu2 O2 H2 116(4) . .
Cu1 O2 H2 130(4) . .
Cu1 O2 H2 105(4) 2_766 .
C15 O3 C14 108.6(5) . .
C23 O4 C22 109.5(4) . .
H7C O7 H7D 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.326(5) .
C1 C6 1.407(7) .
C1 C2 1.418(7) .
C2 C3 1.389(7) .
C2 C17 1.471(7) .
C3 C4 1.383(7) .
C3 H3 0.9300 .
C4 C5 1.377(7) .
C4 C7 1.518(7) .
C5 C6 1.397(6) .
C5 H5 0.9300 .
C6 C9 1.461(7) .
C7 C8 1.452(9) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 N1 1.285(6) .
C9 H9 0.9300 .
C10 N1 1.479(6) .
C10 C11 1.537(6) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.499(7) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 N2 1.477(6) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 N2 1.455(7) .
C13 C14 1.495(8) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 O3 1.420(7) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 O3 1.406(8) .
C15 C16 1.504(8) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 N2 1.465(6) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 N3 1.278(6) .
C17 H17 0.9300 .
C18 N3 1.478(6) .
C18 C19 1.519(8) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.521(8) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 N4 1.485(7) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 N4 1.474(7) .
C21 C22 1.523(8) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 O4 1.423(7) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 O4 1.419(6) .
C23 C24 1.505(8) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 N4 1.475(7) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 N5 1.145(7) .
C25 O5 1.194(7) .
C26 N6 1.153(7) .
C26 O6 1.191(7) .
Cu1 N5 1.930(4) .
Cu1 O2 1.940(3) .
Cu1 N1 1.967(4) .
Cu1 O1 1.993(3) .
Cu1 O2 2.389(3) 2_766
Cu2 O2 1.930(3) .
Cu2 N6 1.944(5) .
Cu2 N3 1.964(4) .
Cu2 O1 1.989(3) .
Cu2 N4 2.630(4) .
O2 Cu1 2.389(3) 2_766
O2 H2 0.83(2) .
O7 H7C 0.8498 .
O7 H7D 0.8499 .
