#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:51:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179309 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/06/4320699.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_4320699
loop_
_publ_author_name
'Sylvia Ross'
'Thomas Weyhermüller'
'Eckhard Bill'
'Karl Wieghardt'
'Phalguni Chaudhuri'
_publ_section_title
;
 Tris(pyridinealdoximato)metal Complexes as Ligands for the Synthesis of
 Asymmetric Heterodinuclear CrIIIM Species [M = Zn(II), Cu(II), Ni(II),
 Fe(II), Mn(II), Cr(II), Co(III)]: A Magneto-Structural Study
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6656
_journal_page_last               6665
_journal_paper_doi               10.1021/ic010552y
_journal_volume                  40
_journal_year                    2001
_chemical_formula_structural     '[C27 H36 Cr Mn N9 O3]2+, 2 (ClO4)-'
_chemical_formula_sum            'C27 H36 Cl2 Cr Mn N9 O11'
_chemical_formula_weight         840.49
_chemical_name_systematic
; 
  ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_cell_angle_alpha                110.63(3)
_cell_angle_beta                 101.48(3)
_cell_angle_gamma                101.17(3)
_cell_formula_units_Z            2
_cell_length_a                   12.010(2)
_cell_length_b                   12.680(3)
_cell_length_c                   12.763(3)
_cell_measurement_reflns_used    5591
_cell_measurement_temperature    100(2)
_cell_volume                     1707.3(9)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SAINT'
_computing_data_reduction        'Siemens SAINT'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_device       'Siemens SMART CCD-Detector'
_diffrn_measurement_method       'ω, 0.3 deg./frame'
_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  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0598
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6878
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.916
_exptl_absorpt_correction_T_max  0.7723
_exptl_absorpt_correction_T_min  0.4447
_exptl_absorpt_correction_type   'SADABS, G.M. Sheldrick 1994'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_description       'transparent block'
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.63
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.506
_refine_diff_density_min         -0.678
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.990
_refine_ls_goodness_of_fit_obs   1.052
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         4824
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_restrained_S_obs      1.052
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_obs          0.0403
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0670P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1070
_refine_ls_wR_factor_obs         0.1047
_reflns_number_observed          4154
_reflns_number_total             4824
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic010552y_1.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0670P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0670P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1707.3(6)
_cod_database_code               4320699
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mn Mn 0.20891(4) 0.42617(4) 0.74977(4) 0.01474(15) Uani 1 d . .
Cr Cr 0.28978(4) 0.70462(4) 1.01428(4) 0.0141(2) Uani 1 d . .
O1 O 0.3641(2) 0.7003(2) 0.8909(2) 0.0190(5) Uani 1 d . .
O2 O 0.3171(2) 0.5626(2) 1.0280(2) 0.0199(5) Uani 1 d . .
O3 O 0.1267(2) 0.6360(2) 0.9148(2) 0.0176(5) Uani 1 d . .
N1 N 0.2284(2) 0.7377(2) 1.1638(2) 0.0179(6) Uani 1 d . .
N2 N 0.2728(2) 0.8741(2) 1.0367(2) 0.0172(6) Uani 1 d . .
N3 N 0.4559(2) 0.8046(2) 1.1401(2) 0.0180(6) Uani 1 d . .
N4 N 0.3576(2) 0.5926(2) 0.8107(2) 0.0169(6) Uani 1 d . .
N5 N 0.3419(2) 0.3806(2) 0.6517(2) 0.0163(6) Uani 1 d . .
N6 N 0.2566(2) 0.4575(2) 0.9385(2) 0.0176(6) Uani 1 d . .
N7 N 0.1382(2) 0.2517(2) 0.7603(2) 0.0168(6) Uani 1 d . .
N8 N 0.1026(2) 0.5512(2) 0.8052(2) 0.0163(6) Uani 1 d . .
N9 N 0.0573(2) 0.3837(2) 0.5928(2) 0.0164(6) Uani 1 d . .
C1 C 0.1953(3) 0.8513(3) 1.1952(3) 0.0199(7) Uani 1 d . .
H1A H 0.2603(3) 0.9152(3) 1.2605(3) 0.024 Uiso 1 calc R .
H1B H 0.1231(3) 0.8429(3) 1.2214(3) 0.024 Uiso 1 calc R .
C2 C 0.1729(3) 0.8825(3) 1.0905(3) 0.0207(7) Uani 1 d . .
H2A H 0.0975(3) 0.8281(3) 1.0319(3) 0.025 Uiso 1 calc R .
H2B H 0.1656(3) 0.9635(3) 1.1152(3) 0.025 Uiso 1 calc R .
C3 C 0.3861(3) 0.9676(3) 1.1166(3) 0.0214(7) Uani 1 d . .
H3A H 0.3783(3) 1.0031(3) 1.1964(3) 0.026 Uiso 1 calc R .
H3B H 0.4016(3) 1.0306(3) 1.0880(3) 0.026 Uiso 1 calc R .
C4 C 0.4887(3) 0.9144(3) 1.1203(3) 0.0213(7) Uani 1 d . .
H4A H 0.5086(3) 0.8959(3) 1.0454(3) 0.026 Uiso 1 calc R .
H4B H 0.5593(3) 0.9716(3) 1.1841(3) 0.026 Uiso 1 calc R .
C5 C 0.4425(3) 0.8317(3) 1.2615(2) 0.0195(7) Uani 1 d . .
H5A H 0.5133(3) 0.8265(3) 1.3123(2) 0.023 Uiso 1 calc R .
H5B H 0.4364(3) 0.9128(3) 1.2958(2) 0.023 Uiso 1 calc R .
C6 C 0.3330(3) 0.7458(3) 1.2559(3) 0.0196(7) Uani 1 d . .
H6A H 0.3460(3) 0.6673(3) 1.2374(3) 0.024 Uiso 1 calc R .
H6B H 0.3172(3) 0.7720(3) 1.3328(3) 0.024 Uiso 1 calc R .
C7 C 0.1259(3) 0.6411(3) 1.1491(3) 0.0250(7) Uani 1 d . .
H7A H 0.0568(6) 0.6356(12) 1.0895(13) 0.037 Uiso 1 calc R .
H7B H 0.1073(12) 0.6576(9) 1.2236(5) 0.037 Uiso 1 calc R .
H7C H 0.1459(7) 0.5665(4) 1.1245(17) 0.037 Uiso 1 calc R .
C8 C 0.2401(3) 0.8864(3) 0.9234(3) 0.0240(7) Uani 1 d . .
H8A H 0.3048(8) 0.8800(18) 0.8875(9) 0.036 Uiso 1 calc R .
H8B H 0.2264(17) 0.9633(8) 0.9376(3) 0.036 Uiso 1 calc R .
H8C H 0.1677(10) 0.8239(11) 0.8707(7) 0.036 Uiso 1 calc R .
C9 C 0.5490(3) 0.7438(3) 1.1249(3) 0.0257(8) Uani 1 d . .
H9A H 0.5276(9) 0.6714(9) 1.1373(17) 0.039 Uiso 1 calc R .
H9B H 0.6251(4) 0.7956(7) 1.1819(12) 0.039 Uiso 1 calc R .
H9C H 0.5560(12) 0.7243(16) 1.0455(6) 0.039 Uiso 1 calc R .
C10 C 0.4346(3) 0.4740(3) 0.6728(3) 0.0181(7) Uani 1 d . .
C11 C 0.3394(3) 0.2746(3) 0.5757(3) 0.0189(7) Uani 1 d . .
H11 H 0.2757(3) 0.2086(3) 0.5607(3) 0.023 Uiso 1 calc R .
C12 C 0.4251(3) 0.2561(3) 0.5180(3) 0.0209(7) Uani 1 d . .
H12 H 0.4195(3) 0.1795(3) 0.4645(3) 0.025 Uiso 1 calc R .
C13 C 0.5184(3) 0.3515(3) 0.5403(3) 0.0228(7) Uani 1 d . .
H13 H 0.5787(3) 0.3417(3) 0.5026(3) 0.027 Uiso 1 calc R .
C14 C 0.5229(3) 0.4624(3) 0.6188(3) 0.0213(7) Uani 1 d . .
H14 H 0.5861(3) 0.5293(3) 0.6351(3) 0.026 Uiso 1 calc R .
C15 C 0.4380(3) 0.5884(3) 0.7584(3) 0.0194(7) Uani 1 d . .
H15 H 0.4983(3) 0.6575(3) 0.7747(3) 0.023 Uiso 1 calc R .
C16 C 0.1663(3) 0.2543(3) 0.8702(3) 0.0182(7) Uani 1 d . .
C17 C 0.0713(3) 0.1496(3) 0.6730(3) 0.0202(7) Uani 1 d . .
H17 H 0.0501(3) 0.1468(3) 0.5961(3) 0.024 Uiso 1 calc R .
C18 C 0.0308(3) 0.0471(3) 0.6883(3) 0.0205(7) Uani 1 d . .
H18 H -0.0169(3) -0.0234(3) 0.6237(3) 0.025 Uiso 1 calc R .
C19 C 0.0616(3) 0.0503(3) 0.7994(3) 0.0209(7) Uani 1 d . .
H19 H 0.0365(3) -0.0186(3) 0.8124(3) 0.025 Uiso 1 calc R .
C20 C 0.1296(3) 0.1550(3) 0.8918(3) 0.0194(7) Uani 1 d . .
H20 H 0.1510(3) 0.1591(3) 0.9692(3) 0.023 Uiso 1 calc R .
C21 C 0.2341(3) 0.3683(3) 0.9650(3) 0.0189(7) Uani 1 d . .
H21 H 0.2605(3) 0.3763(3) 1.0434(3) 0.023 Uiso 1 calc R .
C22 C -0.0247(3) 0.4426(3) 0.6140(3) 0.0167(7) Uani 1 d . .
C23 C 0.0374(3) 0.3044(3) 0.4838(3) 0.0191(7) Uani 1 d . .
H23 H 0.0954(3) 0.2646(3) 0.4675(3) 0.023 Uiso 1 calc R .
C25 C -0.1471(3) 0.3356(3) 0.4164(3) 0.0212(7) Uani 1 d . .
H25 H -0.2174(3) 0.3183(3) 0.3562(3) 0.025 Uiso 1 calc R .
C24 C -0.0630(3) 0.2776(3) 0.3939(3) 0.0220(7) Uani 1 d . .
H24 H -0.0740(3) 0.2202(3) 0.3180(3) 0.026 Uiso 1 calc R .
C26 C -0.1276(3) 0.4193(3) 0.5278(3) 0.0184(7) Uani 1 d . .
H26 H -0.1844(3) 0.4604(3) 0.5449(3) 0.022 Uiso 1 calc R .
C27 C 0.0031(3) 0.5332(3) 0.7326(3) 0.0166(7) Uani 1 d . .
H27 H -0.0505(3) 0.5769(3) 0.7548(3) 0.020 Uiso 1 calc R .
Cl1 Cl 0.19494(6) 1.22932(7) 1.24350(6) 0.0210(2) Uani 1 d . .
O10 O 0.2843(2) 1.2203(2) 1.1837(2) 0.0367(6) Uani 1 d . .
O11 O 0.0806(2) 1.1978(2) 1.1593(2) 0.0322(6) Uani 1 d . .
O12 O 0.1896(2) 1.1500(2) 1.3009(2) 0.0320(6) Uani 1 d . .
O13 O 0.2217(2) 1.3479(2) 1.3292(2) 0.0331(6) Uani 1 d . .
Cl2 Cl 0.71383(6) 1.07173(7) 1.45976(6) 0.0211(2) Uani 1 d . .
O20 O 0.8226(2) 1.1532(2) 1.5437(2) 0.0330(6) Uani 1 d . .
O21 O 0.6400(2) 1.1340(2) 1.4207(2) 0.0409(6) Uani 1 d . .
O22 O 0.7369(2) 0.9911(3) 1.3613(2) 0.0519(8) Uani 1 d . .
O23 O 0.6520(2) 1.0076(2) 1.5143(2) 0.0421(7) Uani 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'
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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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
N6 Mn N8 82.96(9) . . ?
N6 Mn N9 143.95(9) . . ?
N8 Mn N9 72.81(9) . . ?
N6 Mn N4 84.07(10) . . ?
N8 Mn N4 83.44(9) . . ?
N9 Mn N4 118.17(9) . . ?
N6 Mn N5 117.75(9) . . ?
N8 Mn N5 145.81(9) . . ?
N9 Mn N5 96.69(9) . . ?
N4 Mn N5 72.94(9) . . ?
N6 Mn N7 72.55(10) . . ?
N8 Mn N7 113.01(9) . . ?
N9 Mn N7 92.54(9) . . ?
N4 Mn N7 148.79(9) . . ?
N5 Mn N7 99.63(9) . . ?
O3 Cr O1 97.12(9) . . ?
O3 Cr O2 97.97(9) . . ?
O1 Cr O2 97.45(9) . . ?
O3 Cr N1 89.70(9) . . ?
O1 Cr N1 170.53(9) . . ?
O2 Cr N1 88.06(9) . . ?
O3 Cr N3 169.48(9) . . ?
O1 Cr N3 89.18(9) . . ?
O2 Cr N3 89.51(9) . . ?
N1 Cr N3 83.14(10) . . ?
O3 Cr N2 89.24(10) . . ?
O1 Cr N2 90.58(9) . . ?
O2 Cr N2 168.42(9) . . ?
N1 Cr N2 82.91(10) . . ?
N3 Cr N2 82.25(10) . . ?
N4 O1 Cr 117.6(2) . . ?
N6 O2 Cr 118.2(2) . . ?
N8 O3 Cr 119.2(2) . . ?
C7 N1 C6 108.9(2) . . ?
C7 N1 C1 109.5(2) . . ?
C6 N1 C1 111.8(2) . . ?
C7 N1 Cr 113.5(2) . . ?
C6 N1 Cr 103.2(2) . . ?
C1 N1 Cr 109.8(2) . . ?
C8 N2 C2 109.2(2) . . ?
C8 N2 C3 109.6(2) . . ?
C2 N2 C3 111.5(2) . . ?
C8 N2 Cr 112.5(2) . . ?
C2 N2 Cr 103.4(2) . . ?
C3 N2 Cr 110.4(2) . . ?
C9 N3 C4 109.2(2) . . ?
C9 N3 C5 109.5(2) . . ?
C4 N3 C5 111.3(2) . . ?
C9 N3 Cr 112.6(2) . . ?
C4 N3 Cr 104.8(2) . . ?
C5 N3 Cr 109.3(2) . . ?
C15 N4 O1 116.6(2) . . ?
C15 N4 Mn 117.2(2) . . ?
O1 N4 Mn 125.9(2) . . ?
C11 N5 C10 117.4(3) . . ?
C11 N5 Mn 128.0(2) . . ?
C10 N5 Mn 114.6(2) . . ?
C21 N6 O2 116.6(2) . . ?
C21 N6 Mn 118.3(2) . . ?
O2 N6 Mn 124.8(2) . . ?
C17 N7 C16 117.3(3) . . ?
C17 N7 Mn 127.9(2) . . ?
C16 N7 Mn 114.8(2) . . ?
C27 N8 O3 116.4(2) . . ?
C27 N8 Mn 117.6(2) . . ?
O3 N8 Mn 125.5(2) . . ?
C23 N9 C22 117.7(3) . . ?
C23 N9 Mn 127.1(2) . . ?
C22 N9 Mn 115.1(2) . . ?
N1 C1 C2 110.1(2) . . ?
N2 C2 C1 110.2(2) . . ?
N2 C3 C4 109.9(2) . . ?
N3 C4 C3 109.9(2) . . ?
C6 C5 N3 110.2(2) . . ?
N1 C6 C5 110.1(2) . . ?
N5 C10 C14 122.3(3) . . ?
N5 C10 C15 116.7(3) . . ?
C14 C10 C15 120.9(3) . . ?
N5 C11 C12 123.6(3) . . ?
C13 C12 C11 118.4(3) . . ?
C12 C13 C14 119.0(3) . . ?
C10 C14 C13 119.3(3) . . ?
N4 C15 C10 118.1(3) . . ?
N7 C16 C20 122.1(3) . . ?
N7 C16 C21 116.3(3) . . ?
C20 C16 C21 121.6(3) . . ?
N7 C17 C18 123.7(3) . . ?
C19 C18 C17 118.5(3) . . ?
C18 C19 C20 119.2(3) . . ?
C19 C20 C16 119.3(3) . . ?
N6 C21 C16 117.7(3) . . ?
N9 C22 C26 121.7(3) . . ?
N9 C22 C27 116.3(3) . . ?
C26 C22 C27 122.0(3) . . ?
N9 C23 C24 123.3(3) . . ?
C24 C25 C26 119.0(3) . . ?
C25 C24 C23 118.8(3) . . ?
C25 C26 C22 119.4(3) . . ?
N8 C27 C22 117.3(3) . . ?
O10 Cl1 O12 110.2(2) . . ?
O10 Cl1 O13 109.91(15) . . ?
O12 Cl1 O13 109.27(14) . . ?
O10 Cl1 O11 109.23(14) . . ?
O12 Cl1 O11 108.53(14) . . ?
O13 Cl1 O11 109.7(2) . . ?
O21 Cl2 O22 109.2(2) . . ?
O21 Cl2 O20 109.9(2) . . ?
O22 Cl2 O20 110.8(2) . . ?
O21 Cl2 O23 108.3(2) . . ?
O22 Cl2 O23 109.5(2) . . ?
O20 Cl2 O23 109.17(14) . . ?
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
Mn N6 2.231(3) . ?
Mn N8 2.235(3) . ?
Mn N9 2.242(3) . ?
Mn N4 2.254(3) . ?
Mn N5 2.258(2) . ?
Mn N7 2.272(3) . ?
Cr O3 1.943(2) . ?
Cr O1 1.949(2) . ?
Cr O2 1.952(2) . ?
Cr N1 2.115(3) . ?
Cr N3 2.116(3) . ?
Cr N2 2.121(3) . ?
O1 N4 1.364(3) . ?
O2 N6 1.353(3) . ?
O3 N8 1.363(3) . ?
N1 C7 1.488(4) . ?
N1 C6 1.499(4) . ?
N1 C1 1.508(4) . ?
N2 C8 1.492(4) . ?
N2 C2 1.499(4) . ?
N2 C3 1.506(4) . ?
N3 C9 1.483(4) . ?
N3 C4 1.495(4) . ?
N3 C5 1.512(4) . ?
N4 C15 1.278(4) . ?
N5 C11 1.342(4) . ?
N5 C10 1.364(4) . ?
N6 C21 1.286(4) . ?
N7 C17 1.337(4) . ?
N7 C16 1.363(4) . ?
N8 C27 1.283(4) . ?
N9 C23 1.340(4) . ?
N9 C22 1.360(4) . ?
C1 C2 1.511(4) . ?
C3 C4 1.515(4) . ?
C5 C6 1.507(4) . ?
C10 C14 1.378(4) . ?
C10 C15 1.463(4) . ?
C11 C12 1.389(4) . ?
C12 C13 1.381(5) . ?
C13 C14 1.393(4) . ?
C16 C20 1.390(4) . ?
C16 C21 1.462(4) . ?
C17 C18 1.391(4) . ?
C18 C19 1.376(4) . ?
C19 C20 1.384(4) . ?
C22 C26 1.384(4) . ?
C22 C27 1.465(4) . ?
C23 C24 1.378(4) . ?
C25 C24 1.377(5) . ?
C25 C26 1.383(4) . ?
Cl1 O10 1.436(2) . ?
Cl1 O12 1.438(2) . ?
Cl1 O13 1.440(2) . ?
Cl1 O11 1.449(2) . ?
Cl2 O21 1.425(2) . ?
Cl2 O22 1.430(3) . ?
Cl2 O20 1.436(2) . ?
Cl2 O23 1.438(2) . ?
