#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:08:48 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180062 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/08/7050862.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_7050862
loop_
_publ_author_name
'Du, Miao'
'Guo, Ya-Mei'
'Bu, Xian-He'
'Ribas, Joan'
'Monfort, Montserrat'
_publ_section_title
;
 Structural and first magnetic characterization of unique
 mono-µ-chloro bridged dinuclear CuII complexes with
 heterocycle-functionalized diazamesocyclic ligands
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              939
_journal_paper_doi               10.1039/b201962k
_journal_volume                  26
_journal_year                    2002
_chemical_formula_sum            'C26 H36 Cl4 Cu2 N12 O12'
_chemical_formula_weight         977.55
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.462(4)
_cell_length_b                   12.790(4)
_cell_length_c                   26.465(9)
_cell_measurement_temperature    293(2)
_cell_volume                     3880(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0916
_diffrn_reflns_av_sigmaI/netI    0.1493
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            16036
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    1.445
_exptl_absorpt_correction_T_max  0.7139
_exptl_absorpt_correction_T_min  0.6710
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1992
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.870
_refine_diff_density_min         -0.518
_refine_diff_density_rms         0.098
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.933
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         6801
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      0.948
_refine_ls_R_factor_all          0.1529
_refine_ls_R_factor_gt           0.0578
_refine_ls_shift/su_max          0.073
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1110
_refine_ls_wR_factor_ref         0.1373
_reflns_number_gt                3181
_reflns_number_total             6801
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b201962k.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_original_sg_symbol_H-M      P212121
_cod_database_code               7050862
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'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 0.51141(11) 0.51564(7) 0.13631(3) 0.0373(3) Uani 1 1 d . . .
Cl1 Cl 0.5132(2) 0.45760(16) 0.03801(7) 0.0420(5) Uani 1 1 d . . .
Cu2 Cu 0.51445(11) 0.40811(8) -0.06339(4) 0.0403(3) Uani 1 1 d . . .
N1 N 0.6395(7) 0.6253(7) 0.1319(3) 0.044(2) Uani 1 1 d . . .
N2 N 0.4179(7) 0.6491(6) 0.1324(4) 0.048(2) Uani 1 1 d . . .
N3 N 0.6362(7) 0.4207(8) 0.1574(3) 0.040(2) Uani 1 1 d . . .
N4 N 0.3652(7) 0.4492(7) 0.1554(3) 0.040(2) Uani 1 1 d . . .
N5 N 0.7617(11) 0.3162(9) 0.1934(4) 0.080(3) Uani 1 1 d . . .
N6 N 0.2104(10) 0.3772(11) 0.1904(5) 0.091(4) Uani 1 1 d . . .
N7 N 0.6379(8) 0.5130(8) -0.0822(3) 0.050(3) Uani 1 1 d . . .
N8 N 0.4192(8) 0.5282(7) -0.0907(3) 0.050(2) Uani 1 1 d . . .
N9 N 0.6430(7) 0.3098(8) -0.0589(4) 0.040(2) Uani 1 1 d . . .
N10 N 0.3698(7) 0.3287(7) -0.0638(4) 0.044(2) Uani 1 1 d . . .
N11 N 0.7790(8) 0.1866(7) -0.0585(4) 0.055(3) Uani 1 1 d . . .
N12 N 0.2072(8) 0.2335(7) -0.0659(4) 0.059(3) Uani 1 1 d . . .
C1 C 0.6068(11) 0.7019(10) 0.0915(4) 0.074(4) Uani 1 1 d . . .
H1A H 0.6309 0.6757 0.0587 0.089 Uiso 1 1 calc R . .
H1B H 0.6456 0.7681 0.0975 0.089 Uiso 1 1 calc R . .
C2 C 0.4667(12) 0.7181(8) 0.0925(4) 0.068(4) Uani 1 1 d . . .
H2A H 0.4481 0.7905 0.0997 0.081 Uiso 1 1 calc R . .
H2B H 0.4336 0.7001 0.0599 0.081 Uiso 1 1 calc R . .
C3 C 0.6418(10) 0.6734(9) 0.1829(5) 0.061(4) Uani 1 1 d . . .
H3A H 0.7126 0.7144 0.1862 0.073 Uiso 1 1 calc R . .
H3B H 0.6449 0.6181 0.2080 0.073 Uiso 1 1 calc R . .
C4 C 0.5385(15) 0.7429(9) 0.1944(4) 0.098(6) Uani 1 1 d . . .
H4A H 0.5387 0.7591 0.2302 0.118 Uiso 1 1 calc R . .
H4B H 0.5478 0.8081 0.1762 0.118 Uiso 1 1 calc R . .
C5 C 0.4258(11) 0.6977(8) 0.1813(4) 0.057(3) Uani 1 1 d . . .
H5A H 0.4061 0.6459 0.2067 0.068 Uiso 1 1 calc R . .
H5B H 0.3675 0.7525 0.1831 0.068 Uiso 1 1 calc R . .
C6 C 0.7510(9) 0.5699(9) 0.1242(5) 0.067(4) Uani 1 1 d . . .
H6A H 0.7636 0.5576 0.0885 0.080 Uiso 1 1 calc R . .
H6B H 0.8150 0.6120 0.1369 0.080 Uiso 1 1 calc R . .
C7 C 0.7466(10) 0.4692(11) 0.1515(5) 0.066(4) Uani 1 1 d . . .
C8 C 0.8216(12) 0.3986(13) 0.1775(6) 0.085(5) Uani 1 1 d . . .
H8A H 0.9011 0.4087 0.1825 0.102 Uiso 1 1 calc R . .
C9 C 0.6555(11) 0.3313(11) 0.1821(5) 0.065(4) Uani 1 1 d . . .
H9A H 0.5965 0.2844 0.1903 0.078 Uiso 1 1 calc R . .
C10 C 0.2951(10) 0.6161(10) 0.1207(5) 0.081(5) Uani 1 1 d . . .
H10A H 0.2865 0.6019 0.0849 0.098 Uiso 1 1 calc R . .
H10B H 0.2406 0.6708 0.1300 0.098 Uiso 1 1 calc R . .
C11 C 0.2716(10) 0.5164(10) 0.1518(5) 0.066(4) Uani 1 1 d . . .
C12 C 0.1808(11) 0.4734(12) 0.1707(6) 0.093(5) Uani 1 1 d . . .
H12A H 0.1064 0.5024 0.1711 0.112 Uiso 1 1 calc R . .
C13 C 0.3250(10) 0.3648(10) 0.1808(4) 0.058(4) Uani 1 1 d . . .
H13A H 0.3696 0.3071 0.1902 0.070 Uiso 1 1 calc R . .
C14 C 0.6019(11) 0.6161(10) -0.0660(5) 0.075(4) Uani 1 1 d . . .
H14A H 0.6394 0.6689 -0.0868 0.090 Uiso 1 1 calc R . .
H14B H 0.6248 0.6274 -0.0312 0.090 Uiso 1 1 calc R . .
C15 C 0.4663(12) 0.6250(8) -0.0711(5) 0.073(4) Uani 1 1 d . . .
H15A H 0.4323 0.6399 -0.0384 0.087 Uiso 1 1 calc R . .
H15B H 0.4468 0.6821 -0.0938 0.087 Uiso 1 1 calc R . .
C16 C 0.6461(11) 0.5053(11) -0.1385(5) 0.084(4) Uani 1 1 d . . .
H16A H 0.6506 0.4323 -0.1480 0.100 Uiso 1 1 calc R . .
H16B H 0.7173 0.5392 -0.1496 0.100 Uiso 1 1 calc R . .
C17 C 0.5433(13) 0.5551(9) -0.1649(4) 0.088(5) Uani 1 1 d . . .
H17A H 0.5481 0.6303 -0.1607 0.105 Uiso 1 1 calc R . .
H17B H 0.5485 0.5401 -0.2007 0.105 Uiso 1 1 calc R . .
C18 C 0.4293(10) 0.5191(10) -0.1462(4) 0.062(3) Uani 1 1 d . . .
H18A H 0.4180 0.4467 -0.1559 0.074 Uiso 1 1 calc R . .
H18B H 0.3681 0.5602 -0.1619 0.074 Uiso 1 1 calc R . .
C19 C 0.7491(10) 0.4727(9) -0.0613(5) 0.073(4) Uani 1 1 d . . .
H19A H 0.8141 0.4993 -0.0810 0.088 Uiso 1 1 calc R . .
H19B H 0.7584 0.4964 -0.0267 0.088 Uiso 1 1 calc R . .
C20 C 0.7489(11) 0.3578(9) -0.0628(5) 0.055(3) Uani 1 1 d . . .
C21 C 0.8332(11) 0.2804(13) -0.0610(5) 0.082(5) Uani 1 1 d . . .
H21A H 0.9135 0.2911 -0.0614 0.098 Uiso 1 1 calc R . .
C22 C 0.6626(10) 0.2049(9) -0.0556(5) 0.052(3) Uani 1 1 d . . .
H22A H 0.6053 0.1540 -0.0519 0.062 Uiso 1 1 calc R . .
C23 C 0.2929(9) 0.5074(10) -0.0743(5) 0.070(4) Uani 1 1 d . . .
H23A H 0.2792 0.5373 -0.0412 0.084 Uiso 1 1 calc R . .
H23B H 0.2394 0.5398 -0.0980 0.084 Uiso 1 1 calc R . .
C24 C 0.2727(8) 0.3946(9) -0.0728(4) 0.048(3) Uani 1 1 d . . .
C25 C 0.1775(10) 0.3343(10) -0.0727(5) 0.065(4) Uani 1 1 d . . .
H25A H 0.1016 0.3585 -0.0767 0.078 Uiso 1 1 calc R . .
C26 C 0.3245(9) 0.2352(9) -0.0608(4) 0.042(3) Uani 1 1 d . . .
H26A H 0.3689 0.1753 -0.0557 0.051 Uiso 1 1 calc R . .
Cl2 Cl 0.0123(3) 0.5749(2) 0.02863(12) 0.0800(9) Uani 1 1 d D . .
O1 O -0.0292(9) 0.4744(5) 0.0204(6) 0.247(8) Uani 1 1 d D . .
O2 O -0.0799(9) 0.6473(7) 0.0123(4) 0.163(5) Uani 1 1 d D . .
O3 O 0.0184(10) 0.5944(12) 0.0835(3) 0.282(10) Uani 1 1 d D . .
O4 O 0.1192(9) 0.5997(12) 0.0081(5) 0.325(15) Uani 1 1 d D . .
Cl3 Cl 0.4949(4) 0.5411(2) 0.31239(10) 0.0730(8) Uani 1 1 d . . .
O5 O 0.5505(13) 0.4806(7) 0.2755(4) 0.193(7) Uani 1 1 d . . .
O6 O 0.3793(10) 0.5550(12) 0.2985(4) 0.163(5) Uani 1 1 d . . .
O7 O 0.5461(11) 0.6415(6) 0.3155(4) 0.138(5) Uani 1 1 d . . .
O8 O 0.4960(11) 0.4896(6) 0.3593(3) 0.114(3) Uani 1 1 d . . .
Cl4 Cl 0.5125(3) 0.3067(2) 0.74209(11) 0.0701(8) Uani 1 1 d D . .
O9 O 0.5900(9) 0.2298(9) 0.7238(5) 0.166(6) Uani 1 1 d D . .
O10 O 0.3953(6) 0.2922(10) 0.7275(5) 0.165(6) Uani 1 1 d D . .
O11 O 0.5157(13) 0.2893(8) 0.7962(3) 0.153(4) Uani 1 1 d D . .
O12 O 0.5514(9) 0.4101(6) 0.7330(4) 0.135(4) Uani 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'
Cl Cl 0.1484 0.1585 '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
N4 Cu1 N3 106.5(3) . . ?
N4 Cu1 N2 85.7(4) . . ?
N3 Cu1 N2 158.0(4) . . ?
N4 Cu1 N1 159.7(4) . . ?
N3 Cu1 N1 85.2(4) . . ?
N2 Cu1 N1 78.3(4) . . ?
N4 Cu1 Cl1 97.8(3) . . ?
N3 Cu1 Cl1 95.6(3) . . ?
N2 Cu1 Cl1 100.7(3) . . ?
N1 Cu1 Cl1 97.4(2) . . ?
Cu1 Cl1 Cu2 177.35(9) . . ?
N9 Cu2 N10 108.0(3) . . ?
N9 Cu2 N7 85.0(4) . . ?
N10 Cu2 N7 161.1(4) . . ?
N9 Cu2 N8 157.8(4) . . ?
N10 Cu2 N8 86.2(4) . . ?
N7 Cu2 N8 77.5(4) . . ?
N9 Cu2 Cl1 95.4(3) . . ?
N10 Cu2 Cl1 96.9(3) . . ?
N7 Cu2 Cl1 95.3(3) . . ?
N8 Cu2 Cl1 99.8(3) . . ?
C6 N1 C3 108.0(8) . . ?
C6 N1 C1 115.7(9) . . ?
C3 N1 C1 112.5(9) . . ?
C6 N1 Cu1 107.6(7) . . ?
C3 N1 Cu1 104.3(7) . . ?
C1 N1 Cu1 108.1(6) . . ?
C5 N2 C2 111.1(8) . . ?
C5 N2 C10 111.5(10) . . ?
C2 N2 C10 112.0(10) . . ?
C5 N2 Cu1 106.6(7) . . ?
C2 N2 Cu1 109.8(7) . . ?
C10 N2 Cu1 105.7(6) . . ?
C9 N3 C7 106.3(10) . . ?
C9 N3 Cu1 142.3(8) . . ?
C7 N3 Cu1 110.4(8) . . ?
C13 N4 C11 105.6(10) . . ?
C13 N4 Cu1 140.4(8) . . ?
C11 N4 Cu1 112.3(8) . . ?
C9 N5 C8 107.6(12) . . ?
C13 N6 C12 105.9(12) . . ?
C14 N7 C19 116.8(10) . . ?
C14 N7 C16 111.9(10) . . ?
C19 N7 C16 107.2(9) . . ?
C14 N7 Cu2 109.5(7) . . ?
C19 N7 Cu2 106.3(7) . . ?
C16 N7 Cu2 104.3(7) . . ?
C15 N8 C18 113.2(9) . . ?
C15 N8 C23 113.6(9) . . ?
C18 N8 C23 109.9(9) . . ?
C15 N8 Cu2 108.7(7) . . ?
C18 N8 Cu2 104.7(7) . . ?
C23 N8 Cu2 106.1(6) . . ?
C20 N9 C22 107.5(9) . . ?
C20 N9 Cu2 112.3(8) . . ?
C22 N9 Cu2 140.1(7) . . ?
C26 N10 C24 104.0(8) . . ?
C26 N10 Cu2 144.8(8) . . ?
C24 N10 Cu2 111.1(7) . . ?
C22 N11 C21 107.5(10) . . ?
C26 N12 C25 104.4(10) . . ?
N1 C1 C2 108.8(9) . . ?
N2 C2 C1 108.0(10) . . ?
N1 C3 C4 114.4(10) . . ?
C5 C4 C3 114.4(9) . . ?
N2 C5 C4 116.2(10) . . ?
C7 C6 N1 108.8(9) . . ?
N3 C7 C8 102.0(12) . . ?
N3 C7 C6 117.8(11) . . ?
C8 C7 C6 140.2(12) . . ?
N5 C8 C7 110.1(12) . . ?
N5 C9 N3 113.8(12) . . ?
N2 C10 C11 106.7(10) . . ?
C12 C11 N4 109.7(13) . . ?
C12 C11 C10 135.0(12) . . ?
N4 C11 C10 114.7(10) . . ?
C11 C12 N6 109.4(13) . . ?
N6 C13 N4 109.3(12) . . ?
N7 C14 C15 108.9(10) . . ?
N8 C15 C14 109.8(10) . . ?
N7 C16 C17 112.6(10) . . ?
C18 C17 C16 113.9(9) . . ?
C17 C18 N8 112.3(10) . . ?
C20 C19 N7 109.6(10) . . ?
N9 C20 C21 107.3(11) . . ?
N9 C20 C19 116.7(10) . . ?
C21 C20 C19 135.4(13) . . ?
N11 C21 C20 108.4(11) . . ?
N11 C22 N9 109.3(10) . . ?
C24 C23 N8 109.2(9) . . ?
C25 C24 N10 107.3(10) . . ?
C25 C24 C23 134.4(10) . . ?
N10 C24 C23 117.9(9) . . ?
C24 C25 N12 110.3(10) . . ?
N10 C26 N12 113.9(10) . . ?
O4 Cl2 O1 117.1(7) . . ?
O4 Cl2 O2 112.3(6) . . ?
O1 Cl2 O2 106.9(5) . . ?
O4 Cl2 O3 107.9(6) . . ?
O1 Cl2 O3 109.1(6) . . ?
O2 Cl2 O3 102.6(5) . . ?
O5 Cl3 O8 110.7(6) . . ?
O5 Cl3 O6 108.7(9) . . ?
O8 Cl3 O6 107.6(8) . . ?
O5 Cl3 O7 110.7(7) . . ?
O8 Cl3 O7 111.8(6) . . ?
O6 Cl3 O7 107.1(9) . . ?
O10 Cl4 O9 114.4(8) . . ?
O10 Cl4 O12 112.1(7) . . ?
O9 Cl4 O12 113.3(8) . . ?
O10 Cl4 O11 105.9(8) . . ?
O9 Cl4 O11 102.4(8) . . ?
O12 Cl4 O11 107.7(6) . . ?
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 N4 1.946(9) . ?
Cu1 N3 1.958(9) . ?
Cu1 N2 2.018(8) . ?
Cu1 N1 2.034(9) . ?
Cu1 Cl1 2.706(2) . ?
Cl1 Cu2 2.757(2) . ?
Cu2 N9 1.940(9) . ?
Cu2 N10 1.944(8) . ?
Cu2 N7 2.013(9) . ?
Cu2 N8 2.018(8) . ?
N1 C6 1.475(12) . ?
N1 C3 1.485(13) . ?
N1 C1 1.497(14) . ?
N2 C5 1.439(12) . ?
N2 C2 1.486(13) . ?
N2 C10 1.502(13) . ?
N3 C9 1.336(15) . ?
N3 C7 1.417(13) . ?
N4 C13 1.352(13) . ?
N4 C11 1.378(13) . ?
N5 C9 1.267(14) . ?
N5 C8 1.327(16) . ?
N6 C13 1.348(14) . ?
N6 C12 1.378(17) . ?
N7 C14 1.446(14) . ?
N7 C19 1.483(13) . ?
N7 C16 1.494(13) . ?
N8 C15 1.448(13) . ?
N8 C18 1.477(12) . ?
N8 C23 1.534(13) . ?
N9 C20 1.364(13) . ?
N9 C22 1.363(13) . ?
N10 C26 1.306(13) . ?
N10 C24 1.417(12) . ?
N11 C22 1.357(13) . ?
N11 C21 1.353(16) . ?
N12 C26 1.351(12) . ?
N12 C25 1.345(14) . ?
C1 C2 1.619(17) . ?
C3 C4 1.512(16) . ?
C4 C5 1.457(16) . ?
C6 C7 1.478(17) . ?
C7 C8 1.424(18) . ?
C10 C11 1.540(17) . ?
C11 C12 1.279(15) . ?
C14 C15 1.564(16) . ?
C16 C17 1.510(15) . ?
C17 C18 1.472(15) . ?
C19 C20 1.471(15) . ?
C20 C21 1.385(15) . ?
C23 C24 1.461(16) . ?
C24 C25 1.336(13) . ?
Cl2 O4 1.376(7) . ?
Cl2 O1 1.389(6) . ?
Cl2 O2 1.470(7) . ?
Cl2 O3 1.475(7) . ?
Cl3 O5 1.398(9) . ?
Cl3 O8 1.405(7) . ?
Cl3 O6 1.387(12) . ?
Cl3 O7 1.414(9) . ?
Cl4 O10 1.410(7) . ?
Cl4 O9 1.411(8) . ?
Cl4 O12 1.415(7) . ?
Cl4 O11 1.450(7) . ?
