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#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/47/4314786.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_4314786
loop_
_publ_author_name
'Lai-Ping Zhang'
'Jian-Fang Ma'
'Jin Yang'
'Yuan-Yuan Pang'
'Ji-Cheng Ma'
_publ_contact_author_address
;
Department of Chemistry
Northeast Normal University
Changchun 130024
P.R.China
;
_publ_contact_author_email       jianfangma@yahoo.com.cn
_publ_contact_author_fax         +86-431-85098620
_publ_contact_author_name        'Jian-Fang Ma'
_publ_contact_author_phone       +86-431-85098620
_publ_section_title
;
 Series of 2D and 3D Coordination Polymers Based on
 1,2,3,4-Benzenetetracarboxylate and N-Donor Ligands: Synthesis,
 Topological Structures, and Photoluminescent Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1535
_journal_page_last               1550
_journal_paper_doi               10.1021/ic9019553
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C50 H38 Cu4 N6 O21 '
_chemical_formula_sum            'C25 H19 Cu2 N3 O10.5'
_chemical_formula_weight         656.51
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.343(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.2840(13)
_cell_length_b                   11.133(3)
_cell_length_c                   11.031(6)
_cell_measurement_reflns_used    5430
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2
_cell_measurement_theta_min      4.3
_cell_volume                     2321.8(14)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0432
_diffrn_reflns_av_sigmaI/netI    0.0836
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12539
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.24
_diffrn_reflns_theta_min         4.25
_exptl_absorpt_coefficient_mu    1.905
_exptl_absorpt_correction_T_max  0.662
_exptl_absorpt_correction_T_min  0.634
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 Higashi,T (1995) Program for absorption correction. 
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.249
_exptl_crystal_size_mid          0.235
_exptl_crystal_size_min          0.213
_refine_diff_density_max         0.770
_refine_diff_density_min         -0.363
_refine_diff_density_rms         0.077
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.008(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.899
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         5430
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      0.898
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0346
_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)+(0.0217P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0554
_refine_ls_wR_factor_ref         0.0588
_reflns_number_gt                4036
_reflns_number_total             5430
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic9019553_si_002_9.cif
_cod_data_source_block           Compound-9
_cod_original_sg_symbol_Hall     'C 2y  '
_cod_original_sg_symbol_H-M      'C 2 '
_cod_original_formula_sum        'C25 H19 Cu2 N3 O10.50'
_cod_database_code               4314786
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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 0.5000 0.72021(4) 0.0000 0.01767(16) Uani 1 2 d S . .
Cu2 Cu 0.5000 0.43649(5) 0.5000 0.02111(15) Uani 1 2 d SD . .
Cu3 Cu 0.69660(2) 1.12890(4) 0.43214(4) 0.02296(11) Uani 1 1 d . . .
C1 C 0.5022(2) 0.4758(3) -0.1002(4) 0.0337(11) Uani 1 1 d . . .
H1 H 0.5040 0.5177 -0.1714 0.040 Uiso 1 1 calc R . .
C2 C 0.5019(3) 0.3523(3) -0.1049(4) 0.0405(12) Uani 1 1 d . . .
H2 H 0.5030 0.3129 -0.1782 0.049 Uiso 1 1 calc R . .
C3 C 0.5000 0.2869(4) 0.0000 0.0227(12) Uani 1 2 d S . .
C4 C 0.5162(2) 0.0872(3) -0.0877(4) 0.0268(9) Uani 1 1 d . . .
H4 H 0.5273 0.1268 -0.1496 0.032 Uiso 1 1 calc R . .
C5 C 0.5162(2) -0.0361(3) -0.0850(4) 0.0250(9) Uani 1 1 d . . .
H5 H 0.5279 -0.0778 -0.1448 0.030 Uiso 1 1 calc R . .
C6 C 0.5000 0.1534(4) 0.0000 0.0217(12) Uani 1 2 d S . .
C7 C 0.5983(2) 0.7309(3) 0.3030(3) 0.0170(7) Uani 1 1 d . . .
C8 C 0.60036(18) 0.7405(3) 0.4424(3) 0.0159(8) Uani 1 1 d . . .
C9 C 0.59157(18) 0.8533(3) 0.4886(3) 0.0171(8) Uani 1 1 d . . .
C10 C 0.5850(2) 0.8623(3) 0.6075(4) 0.0243(9) Uani 1 1 d . . .
H10 H 0.5760 0.9367 0.6346 0.029 Uiso 1 1 calc R . .
C11 C 0.5917(2) 0.7627(3) 0.6856(4) 0.0231(8) Uani 1 1 d . . .
H11 H 0.5897 0.7712 0.7676 0.028 Uiso 1 1 calc R . .
C12 C 0.60156(18) 0.6498(3) 0.6446(3) 0.0185(7) Uani 1 1 d . . .
C13 C 0.60613(16) 0.6380(3) 0.5207(3) 0.0156(7) Uani 1 1 d . . .
C14 C 0.6215(2) 0.5192(3) 0.4771(3) 0.0191(8) Uani 1 1 d . . .
C15 C 0.6073(2) 0.5461(3) 0.7365(4) 0.0213(8) Uani 1 1 d . . .
C16 C 0.5953(2) 0.9688(3) 0.4223(3) 0.0231(9) Uani 1 1 d . . .
C17 C 0.7360(2) 1.0450(3) 0.7102(4) 0.0318(10) Uani 1 1 d . . .
H17 H 0.7606 0.9863 0.6894 0.038 Uiso 1 1 calc R . .
C18 C 0.7360(2) 1.0398(3) 0.8360(4) 0.0301(9) Uani 1 1 d . . .
H18 H 0.7607 0.9795 0.8980 0.036 Uiso 1 1 calc R . .
C19 C 0.69905(18) 1.1246(3) 0.8679(3) 0.0215(7) Uani 1 1 d . . .
C20 C 0.6650(2) 1.2137(3) 0.7723(3) 0.0290(9) Uani 1 1 d . . .
H20 H 0.6402 1.2740 0.7905 0.035 Uiso 1 1 calc R . .
C21 C 0.6681(2) 1.2126(3) 0.6510(3) 0.0275(8) Uani 1 1 d . . .
H21 H 0.6447 1.2728 0.5878 0.033 Uiso 1 1 calc R . .
C22 C 0.69535(17) 1.1240(3) 0.9984(3) 0.0207(7) Uani 1 1 d . . .
C23 C 0.6889(3) 1.2287(4) 1.0565(4) 0.0435(13) Uani 1 1 d . . .
H23 H 0.6850 1.3013 1.0118 0.052 Uiso 1 1 calc R . .
C24 C 0.6881(2) 1.2277(3) 1.1796(4) 0.0403(11) Uani 1 1 d . . .
H24 H 0.6839 1.3003 1.2168 0.048 Uiso 1 1 calc R . .
C25 C 0.6954(2) 1.0238(3) 1.1889(4) 0.0266(9) Uani 1 1 d . . .
H25 H 0.6958 0.9521 1.2324 0.032 Uiso 1 1 calc R . .
C26 C 0.6972(2) 1.0182(3) 1.0669(4) 0.0276(10) Uani 1 1 d . . .
H26 H 0.6997 0.9443 1.0301 0.033 Uiso 1 1 calc R . .
N1 N 0.5000 0.5384(3) 0.0000 0.0175(10) Uani 1 2 d S . .
N2 N 0.5000 -0.0982(3) 0.0000 0.0205(10) Uani 1 2 d S . .
N3 N 0.70298(15) 1.1290(3) 0.6194(3) 0.0207(6) Uani 1 1 d . . .
N4 N 0.69312(15) 1.1260(3) 1.2489(2) 0.0240(6) Uani 1 1 d . . .
O1 O 0.53667(13) 0.7209(2) 0.2051(2) 0.0205(5) Uani 1 1 d . . .
O2 O 0.65440(13) 0.7356(2) 0.2940(2) 0.0299(6) Uani 1 1 d . . .
O3 O 0.68009(15) 0.5054(2) 0.4783(3) 0.0314(6) Uani 1 1 d . . .
O4 O 0.57481(13) 0.4379(2) 0.4408(2) 0.0248(5) Uani 1 1 d . . .
O5 O 0.57244(13) 0.45067(19) 0.6845(2) 0.0260(6) Uani 1 1 d . . .
O6 O 0.64370(15) 0.5588(2) 0.8607(2) 0.0323(7) Uani 1 1 d . . .
O7 O 0.55437(16) 1.0513(2) 0.4058(3) 0.0339(7) Uani 1 1 d . . .
O8 O 0.64946(15) 0.97613(18) 0.3994(2) 0.0298(7) Uani 1 1 d . . .
O1W O 0.61726(14) 0.7336(2) 0.0187(2) 0.0332(6) Uani 1 1 d D . .
H1B H 0.6430(17) 0.736(4) 0.1085(11) 0.050 Uiso 1 1 d D . .
H1A H 0.6364(19) 0.677(3) -0.011(3) 0.050 Uiso 1 1 d D . .
O2W O 0.5000 0.2348(3) 0.5000 0.0416(11) Uani 1 2 d SD . .
H2A H 0.519(5) 0.169(3) 0.486(8) 0.062 Uiso 0.50 1 d PD . .
H2B H 0.486(5) 0.224(2) 0.562(8) 0.062 Uiso 0.50 1 d PD . .
O3W O 0.73534(14) 1.2926(2) 0.4650(2) 0.0234(6) Uani 1 1 d D . .
H3B H 0.7743(11) 1.291(3) 0.544(2) 0.035 Uiso 1 1 d D . .
H3A H 0.7081(15) 1.350(3) 0.471(3) 0.035 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
_geom_angle_publ_flag
N2 Cu1 N1 180.0 1_565 . ?
N2 Cu1 O1 89.77(7) 1_565 2_655 ?
N1 Cu1 O1 90.23(7) . 2_655 ?
N2 Cu1 O1 89.77(7) 1_565 . ?
N1 Cu1 O1 90.23(7) . . ?
O1 Cu1 O1 179.54(13) 2_655 . ?
N2 Cu1 O1W 86.45(6) 1_565 . ?
N1 Cu1 O1W 93.55(6) . . ?
O1 Cu1 O1W 87.02(9) 2_655 . ?
O1 Cu1 O1W 92.95(9) . . ?
N2 Cu1 O1W 86.45(6) 1_565 2_655 ?
N1 Cu1 O1W 93.55(6) . 2_655 ?
O1 Cu1 O1W 92.95(9) 2_655 2_655 ?
O1 Cu1 O1W 87.02(9) . 2_655 ?
O1W Cu1 O1W 172.90(13) . 2_655 ?
O5 Cu2 O5 170.53(13) 2_656 . ?
O5 Cu2 O4 88.45(10) 2_656 2_656 ?
O5 Cu2 O4 91.47(10) . 2_656 ?
O5 Cu2 O4 91.47(10) 2_656 . ?
O5 Cu2 O4 88.45(10) . . ?
O4 Cu2 O4 179.06(14) 2_656 . ?
O5 Cu2 O2W 94.73(7) 2_656 . ?
O5 Cu2 O2W 94.73(7) . . ?
O4 Cu2 O2W 90.47(7) 2_656 . ?
O4 Cu2 O2W 90.47(7) . . ?
O8 Cu3 O3W 173.73(11) . . ?
O8 Cu3 N4 91.29(11) . 1_554 ?
O3W Cu3 N4 91.09(11) . 1_554 ?
O8 Cu3 N3 88.65(12) . . ?
O3W Cu3 N3 89.15(12) . . ?
N4 Cu3 N3 178.22(13) 1_554 . ?
N1 C1 C2 123.8(3) . . ?
N1 C1 H1 118.1 . . ?
C2 C1 H1 118.1 . . ?
C1 C2 C3 119.7(4) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C2 C3 C2 116.5(4) 2_655 . ?
C2 C3 C6 121.8(2) 2_655 . ?
C2 C3 C6 121.8(2) . . ?
C5 C4 C6 121.1(3) . . ?
C5 C4 H4 119.4 . . ?
C6 C4 H4 119.4 . . ?
N2 C5 C4 122.5(3) . . ?
N2 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
C4 C6 C4 115.4(4) . 2_655 ?
C4 C6 C3 122.3(2) . . ?
C4 C6 C3 122.3(2) 2_655 . ?
O2 C7 O1 126.4(3) . . ?
O2 C7 C8 119.7(3) . . ?
O1 C7 C8 114.0(3) . . ?
C9 C8 C13 119.6(3) . . ?
C9 C8 C7 119.0(3) . . ?
C13 C8 C7 121.3(3) . . ?
C10 C9 C8 119.9(3) . . ?
C10 C9 C16 116.8(3) . . ?
C8 C9 C16 123.1(3) . . ?
C11 C10 C9 120.7(3) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 121.1(3) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C11 C12 C13 119.1(3) . . ?
C11 C12 C15 117.0(3) . . ?
C13 C12 C15 123.9(3) . . ?
C8 C13 C12 119.5(3) . . ?
C8 C13 C14 119.5(3) . . ?
C12 C13 C14 120.9(3) . . ?
O3 C14 O4 123.4(3) . . ?
O3 C14 C13 118.0(3) . . ?
O4 C14 C13 118.6(3) . . ?
O6 C15 O5 122.4(3) . . ?
O6 C15 C12 118.4(3) . . ?
O5 C15 C12 119.2(3) . . ?
O7 C16 O8 124.3(3) . . ?
O7 C16 C9 121.6(3) . . ?
O8 C16 C9 113.7(3) . . ?
N3 C17 C18 123.1(3) . . ?
N3 C17 H17 118.5 . . ?
C18 C17 H17 118.5 . . ?
C19 C18 C17 119.3(3) . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C18 C19 C20 117.3(3) . . ?
C18 C19 C22 122.6(3) . . ?
C20 C19 C22 120.1(3) . . ?
C21 C20 C19 119.6(3) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
N3 C21 C20 123.0(3) . . ?
N3 C21 H21 118.5 . . ?
C20 C21 H21 118.5 . . ?
C23 C22 C26 116.9(3) . . ?
C23 C22 C19 121.0(3) . . ?
C26 C22 C19 122.2(3) . . ?
C24 C23 C22 120.5(4) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
N4 C24 C23 122.7(4) . . ?
N4 C24 H24 118.7 . . ?
C23 C24 H24 118.7 . . ?
N4 C25 C26 123.7(3) . . ?
N4 C25 H25 118.1 . . ?
C26 C25 H25 118.1 . . ?
C25 C26 C22 119.4(3) . . ?
C25 C26 H26 120.3 . . ?
C22 C26 H26 120.3 . . ?
C1 N1 C1 116.5(4) . 2_655 ?
C1 N1 Cu1 121.8(2) . . ?
C1 N1 Cu1 121.8(2) 2_655 . ?
C5 N2 C5 117.4(4) . 2_655 ?
C5 N2 Cu1 121.3(2) . 1_545 ?
C5 N2 Cu1 121.3(2) 2_655 1_545 ?
C17 N3 C21 117.7(3) . . ?
C17 N3 Cu3 123.0(3) . . ?
C21 N3 Cu3 119.2(2) . . ?
C25 N4 C24 116.7(2) . . ?
C25 N4 Cu3 121.8(2) . 1_556 ?
C24 N4 Cu3 121.5(2) . 1_556 ?
C7 O1 Cu1 132.1(2) . . ?
C14 O4 Cu2 122.4(2) . . ?
C15 O5 Cu2 124.5(2) . . ?
C16 O8 Cu3 117.09(19) . . ?
Cu1 O1W H1B 100(3) . . ?
Cu1 O1W H1A 124(3) . . ?
H1B O1W H1A 106(2) . . ?
Cu2 O2W H2A 147(4) . . ?
Cu2 O2W H2B 97.7(15) . . ?
H2A O2W H2B 112(2) . . ?
Cu3 O3W H3B 107(2) . . ?
Cu3 O3W H3A 117(3) . . ?
H3B O3W H3A 107(2) . . ?
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 N2 2.021(4) 1_565 ?
Cu1 N1 2.024(3) . ?
Cu1 O1 2.026(2) 2_655 ?
Cu1 O1 2.026(2) . ?
Cu1 O1W 2.413(3) . ?
Cu1 O1W 2.413(3) 2_655 ?
Cu2 O5 1.913(2) 2_656 ?
Cu2 O5 1.913(2) . ?
Cu2 O4 1.979(2) 2_656 ?
Cu2 O4 1.979(2) . ?
Cu2 O2W 2.245(4) . ?
Cu3 O8 1.923(2) . ?
Cu3 O3W 1.964(2) . ?
Cu3 N4 1.988(3) 1_554 ?
Cu3 N3 2.007(3) . ?
C1 N1 1.326(4) . ?
C1 C2 1.375(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.383(4) . ?
C2 H2 0.9300 . ?
C3 C2 1.383(4) 2_655 ?
C3 C6 1.485(5) . ?
C4 C5 1.374(4) . ?
C4 C6 1.380(4) . ?
C4 H4 0.9300 . ?
C5 N2 1.332(4) . ?
C5 H5 0.9300 . ?
C6 C4 1.380(4) 2_655 ?
C7 O2 1.244(4) . ?
C7 O1 1.264(4) . ?
C7 C8 1.522(4) . ?
C8 C9 1.401(4) . ?
C8 C13 1.402(5) . ?
C9 C10 1.384(5) . ?
C9 C16 1.499(4) . ?
C10 C11 1.371(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.384(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.421(4) . ?
C12 C15 1.504(4) . ?
C13 C14 1.493(5) . ?
C14 O3 1.250(4) . ?
C14 O4 1.266(4) . ?
C15 O6 1.234(4) . ?
C15 O5 1.272(4) . ?
C16 O7 1.221(4) . ?
C16 O8 1.291(4) . ?
C17 N3 1.313(5) . ?
C17 C18 1.389(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.372(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.385(5) . ?
C19 C22 1.478(4) . ?
C20 C21 1.369(4) . ?
C20 H20 0.9300 . ?
C21 N3 1.333(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.368(5) . ?
C22 C26 1.390(5) . ?
C23 C24 1.365(5) . ?
C23 H23 0.9300 . ?
C24 N4 1.343(5) . ?
C24 H24 0.9300 . ?
C25 N4 1.329(4) . ?
C25 C26 1.365(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
N1 C1 1.326(4) 2_655 ?
N2 C5 1.332(4) 2_655 ?
N2 Cu1 2.021(4) 1_545 ?
N4 Cu3 1.988(3) 1_556 ?
O1W H1B 0.886(10) . ?
O1W H1A 0.89(4) . ?
O2W H2A 0.883(10) . ?
O2W H2B 0.881(10) . ?
O3W H3B 0.885(10) . ?
O3W H3A 0.89(3) . ?
