#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:52:44 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179310 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/07/4320700.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_4320700
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 Fe N9 O3]2+, 2 (ClO4)-'
_chemical_formula_sum            'C27 H36 Cl2 Cr Fe N9 O11'
_chemical_formula_weight         841.40
_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                99.80(3)
_cell_angle_beta                 98.94(3)
_cell_angle_gamma                113.27(3)
_cell_formula_units_Z            2
_cell_length_a                   12.078(3)
_cell_length_b                   12.380(3)
_cell_length_c                   12.708(3)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    100(2)
_cell_volume                     1667.3(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  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0624
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            19445
_diffrn_reflns_theta_max         33.21
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    0.995
_exptl_absorpt_correction_T_max  0.9489
_exptl_absorpt_correction_T_min  0.6092
_exptl_absorpt_correction_type   'SADABS, G.M. Sheldrick, 1994'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_description       'transparent block'
_exptl_crystal_F_000             866
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.49
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.678
_refine_diff_density_min         -0.659
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.013
_refine_ls_goodness_of_fit_obs   1.049
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         11165
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_restrained_S_obs      1.049
_refine_ls_R_factor_all          0.0777
_refine_ls_R_factor_obs          0.0463
_refine_ls_shift/esd_max         -0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0481P)²+0.8681P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1130
_refine_ls_wR_factor_obs         0.0980
_reflns_number_observed          7973
_reflns_number_total             11166
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic010552y_2.cif
_cod_data_source_block           3
_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^)+(0.0481P)^2^+0.8681P] 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^)+(0.0481P)^2^+0.8681P] 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        1667.3(7)
_cod_database_code               4320700
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
Cr Cr 0.81077(3) 0.00070(3) 0.22114(3) 0.01383(7) Uani 1 d . .
Fe Fe 1.08249(3) 0.25592(3) 0.30023(2) 0.01375(7) Uani 1 d . .
O1 O 0.95044(14) 0.01644(13) 0.15418(12) 0.0177(3) Uani 1 d . .
O2 O 0.81716(13) 0.15929(13) 0.21114(13) 0.0174(3) Uani 1 d . .
O3 O 0.91067(13) 0.06222(12) 0.37391(12) 0.0164(3) Uani 1 d . .
N1 N 0.6417(2) -0.0430(2) 0.2691(2) 0.0185(4) Uani 1 d . .
N2 N 0.7785(2) -0.1770(2) 0.22983(15) 0.0175(4) Uani 1 d . .
N3 N 0.6919(2) -0.0871(2) 0.06261(15) 0.0179(4) Uani 1 d . .
N4 N 1.0606(2) 0.10117(15) 0.22164(14) 0.0154(3) Uani 1 d . .
N5 N 1.2423(2) 0.2588(2) 0.37199(15) 0.0163(3) Uani 1 d . .
N6 N 0.9329(2) 0.23624(15) 0.20645(15) 0.0162(3) Uani 1 d . .
N7 N 1.1544(2) 0.3494(2) 0.19587(15) 0.0174(3) Uani 1 d . .
N8 N 0.9908(2) 0.18192(15) 0.39859(14) 0.0148(3) Uani 1 d . .
N9 N 1.1139(2) 0.4039(2) 0.41079(15) 0.0152(3) Uani 1 d . .
C1 C 0.5993(2) -0.1657(2) 0.2937(2) 0.0223(4) Uani 1 d . .
H1A H 0.5351(2) -0.2267(2) 0.2314(2) 0.027 Uiso 1 calc R .
H1B H 0.5643(2) -0.1645(2) 0.3573(2) 0.027 Uiso 1 calc R .
C2 C 0.7076(2) -0.1985(2) 0.3163(2) 0.0214(4) Uani 1 d . .
H2A H 0.7623(2) -0.1497(2) 0.3880(2) 0.026 Uiso 1 calc R .
H2B H 0.6768(2) -0.2834(2) 0.3175(2) 0.026 Uiso 1 calc R .
C3 C 0.7033(2) -0.2643(2) 0.1193(2) 0.0216(4) Uani 1 d . .
H3A H 0.6166(2) -0.3037(2) 0.1207(2) 0.026 Uiso 1 calc R .
H3B H 0.7324(2) -0.3265(2) 0.1037(2) 0.026 Uiso 1 calc R .
C4 C 0.7157(2) -0.1965(2) 0.0297(2) 0.0209(4) Uani 1 d . .
H4A H 0.7987(2) -0.1713(2) 0.0179(2) 0.025 Uiso 1 calc R .
H4B H 0.6566(2) -0.2498(2) -0.0387(2) 0.025 Uiso 1 calc R .
C5 C 0.5594(2) -0.1214(2) 0.0677(2) 0.0210(4) Uani 1 d . .
H5A H 0.5192(2) -0.2067(2) 0.0669(2) 0.025 Uiso 1 calc R .
H5B H 0.5151(2) -0.1094(2) 0.0036(2) 0.025 Uiso 1 calc R .
C6 C 0.5542(2) -0.0443(2) 0.1716(2) 0.0217(4) Uani 1 d . .
H6A H 0.5764(2) 0.0381(2) 0.1648(2) 0.026 Uiso 1 calc R .
H6B H 0.4702(2) -0.0771(2) 0.1815(2) 0.026 Uiso 1 calc R .
C7 C 0.6513(2) 0.0487(2) 0.3667(2) 0.0238(5) Uani 1 d . .
H7A H 0.7076(12) 0.0497(11) 0.4295(4) 0.036 Uiso 1 calc R .
H7B H 0.5707(4) 0.0279(9) 0.3813(9) 0.036 Uiso 1 calc R .
H7C H 0.6817(15) 0.1276(3) 0.3522(6) 0.036 Uiso 1 calc R .
C8 C 0.8943(2) -0.1908(2) 0.2623(2) 0.0230(5) Uani 1 d . .
H8A H 0.9469(7) -0.1292(10) 0.3282(8) 0.034 Uiso 1 calc R .
H8B H 0.9368(8) -0.1825(16) 0.2042(6) 0.034 Uiso 1 calc R .
H8C H 0.8742(2) -0.2697(6) 0.2755(14) 0.034 Uiso 1 calc R .
C9 C 0.7230(2) -0.0115(2) -0.0172(2) 0.0229(5) Uani 1 d . .
H9A H 0.7033(15) 0.0561(9) 0.0013(9) 0.034 Uiso 1 calc R .
H9B H 0.6758(12) -0.0598(5) -0.0902(2) 0.034 Uiso 1 calc R .
H9C H 0.8102(4) 0.0180(13) -0.0141(10) 0.034 Uiso 1 calc R .
C10 C 1.2584(2) 0.1604(2) 0.3243(2) 0.0178(4) Uani 1 d . .
C11 C 1.3352(2) 0.3435(2) 0.4571(2) 0.0195(4) Uani 1 d . .
H11 H 1.3255(2) 0.4107(2) 0.4915(2) 0.023 Uiso 1 calc R .
C12 C 1.4439(2) 0.3341(2) 0.4948(2) 0.0231(5) Uani 1 d . .
H12 H 1.5058(2) 0.3939(2) 0.5534(2) 0.028 Uiso 1 calc R .
C13 C 1.4597(2) 0.2345(2) 0.4444(2) 0.0247(5) Uani 1 d . .
H13 H 1.5327(2) 0.2274(2) 0.4682(2) 0.030 Uiso 1 calc R .
C14 C 1.3657(2) 0.1461(2) 0.3582(2) 0.0226(5) Uani 1 d . .
H14 H 1.3740(2) 0.0782(2) 0.3236(2) 0.027 Uiso 1 calc R .
C15 C 1.1509(2) 0.0702(2) 0.2401(2) 0.0178(4) Uani 1 d . .
H15 H 1.1471(2) -0.0031(2) 0.2028(2) 0.021 Uiso 1 calc R .
C16 C 1.0670(2) 0.3578(2) 0.1202(2) 0.0198(4) Uani 1 d . .
C17 C 1.2746(2) 0.4086(2) 0.1943(2) 0.0216(4) Uani 1 d . .
H17 H 1.3352(2) 0.4023(2) 0.2444(2) 0.026 Uiso 1 calc R .
C18 C 1.3111(2) 0.4786(2) 0.1206(2) 0.0275(5) Uani 1 d . .
H18 H 1.3950(2) 0.5204(2) 0.1233(2) 0.033 Uiso 1 calc R .
C19 C 1.2222(3) 0.4856(2) 0.0435(2) 0.0294(5) Uani 1 d . .
H19 H 1.2453(3) 0.5320(2) -0.0066(2) 0.035 Uiso 1 calc R .
C20 C 1.0984(2) 0.4228(2) 0.0416(2) 0.0259(5) Uani 1 d . .
H20 H 1.0368(2) 0.4239(2) -0.0115(2) 0.031 Uiso 1 calc R .
C21 C 0.9410(2) 0.2901(2) 0.1270(2) 0.0198(4) Uani 1 d . .
H21 H 0.8720(2) 0.2855(2) 0.0789(2) 0.024 Uiso 1 calc R .
C22 C 1.0758(2) 0.3798(2) 0.5031(2) 0.0140(4) Uani 1 d . .
C23 C 1.1753(2) 0.5212(2) 0.4096(2) 0.0172(4) Uani 1 d . .
H23 H 1.2000(2) 0.5389(2) 0.3464(2) 0.021 Uiso 1 calc R .
C24 C 1.2026(2) 0.6161(2) 0.4998(2) 0.0182(4) Uani 1 d . .
H24 H 1.2443(2) 0.6962(2) 0.4965(2) 0.022 Uiso 1 calc R .
C25 C 1.1674(2) 0.5911(2) 0.5951(2) 0.0189(4) Uani 1 d . .
H25 H 1.1875(2) 0.6537(2) 0.6571(2) 0.023 Uiso 1 calc R .
C26 C 1.1020(2) 0.4710(2) 0.5961(2) 0.0167(4) Uani 1 d . .
H26 H 1.0759(2) 0.4518(2) 0.6585(2) 0.020 Uiso 1 calc R .
C27 C 0.9998(2) 0.2515(2) 0.4914(2) 0.0154(4) Uani 1 d . .
H27 H 0.9614(2) 0.2221(2) 0.5452(2) 0.018 Uiso 1 calc R .
Cl1 Cl 1.20868(5) 0.77424(5) 0.26039(5) 0.02473(12) Uani 1 d . .
O10 O 1.3142(2) 0.7541(2) 0.2987(2) 0.0604(7) Uani 1 d . .
O11 O 1.1931(2) 0.8544(2) 0.3468(2) 0.0446(5) Uani 1 d . .
O12 O 1.0993(2) 0.6607(2) 0.2275(2) 0.0451(5) Uani 1 d . .
O13 O 1.2255(2) 0.8297(2) 0.1695(2) 0.0439(5) Uani 1 d . .
Cl2 Cl 0.60351(5) 0.40365(5) 0.18098(5) 0.02297(12) Uani 1 d . .
O20 O 0.5477(2) 0.4225(2) 0.08032(15) 0.0298(4) Uani 1 d . .
O21 O 0.5270(2) 0.2873(2) 0.1936(2) 0.0559(7) Uani 1 d . .
O22 O 0.7212(2) 0.4062(3) 0.1732(2) 0.0625(8) Uani 1 d . .
O23 O 0.6173(3) 0.4946(2) 0.2730(2) 0.0571(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'
Fe Fe 0.3463 0.8444 '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'
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
O2 Cr O3 93.71(7) . . ?
O2 Cr O1 95.39(7) . . ?
O3 Cr O1 95.55(7) . . ?
O2 Cr N2 172.41(7) . . ?
O3 Cr N2 89.39(7) . . ?
O1 Cr N2 91.20(7) . . ?
O2 Cr N3 92.74(8) . . ?
O3 Cr N3 172.44(6) . . ?
O1 Cr N3 87.75(7) . . ?
N2 Cr N3 83.74(8) . . ?
O2 Cr N1 89.43(7) . . ?
O3 Cr N1 93.03(7) . . ?
O1 Cr N1 169.85(7) . . ?
N2 Cr N1 83.48(8) . . ?
N3 Cr N1 83.10(8) . . ?
N4 Fe N6 90.26(8) . . ?
N4 Fe N8 90.04(8) . . ?
N6 Fe N8 90.23(8) . . ?
N4 Fe N9 167.24(8) . . ?
N6 Fe N9 98.71(8) . . ?
N8 Fe N9 80.91(8) . . ?
N4 Fe N7 97.63(8) . . ?
N6 Fe N7 80.74(8) . . ?
N8 Fe N7 168.13(7) . . ?
N9 Fe N7 92.79(8) . . ?
N4 Fe N5 80.63(8) . . ?
N6 Fe N5 168.91(7) . . ?
N8 Fe N5 96.05(8) . . ?
N9 Fe N5 91.33(8) . . ?
N7 Fe N5 94.14(8) . . ?
N4 O1 Cr 111.86(12) . . ?
N6 O2 Cr 110.60(12) . . ?
N8 O3 Cr 112.66(12) . . ?
C7 N1 C6 109.3(2) . . ?
C7 N1 C1 109.4(2) . . ?
C6 N1 C1 111.6(2) . . ?
C7 N1 Cr 112.94(14) . . ?
C6 N1 Cr 104.12(13) . . ?
C1 N1 Cr 109.38(13) . . ?
C8 N2 C2 109.7(2) . . ?
C8 N2 C3 109.1(2) . . ?
C2 N2 C3 111.7(2) . . ?
C8 N2 Cr 113.18(13) . . ?
C2 N2 Cr 103.90(13) . . ?
C3 N2 Cr 109.20(13) . . ?
C9 N3 C4 109.3(2) . . ?
C9 N3 C5 109.6(2) . . ?
C4 N3 C5 112.1(2) . . ?
C9 N3 Cr 112.59(14) . . ?
C4 N3 Cr 103.05(13) . . ?
C5 N3 Cr 110.06(14) . . ?
C15 N4 O1 117.8(2) . . ?
C15 N4 Fe 118.88(15) . . ?
O1 N4 Fe 122.99(13) . . ?
C11 N5 C10 117.4(2) . . ?
C11 N5 Fe 129.75(15) . . ?
C10 N5 Fe 112.84(15) . . ?
C21 N6 O2 117.5(2) . . ?
C21 N6 Fe 118.5(2) . . ?
O2 N6 Fe 123.67(13) . . ?
C17 N7 C16 117.8(2) . . ?
C17 N7 Fe 129.2(2) . . ?
C16 N7 Fe 112.90(14) . . ?
C27 N8 O3 118.2(2) . . ?
C27 N8 Fe 117.98(14) . . ?
O3 N8 Fe 123.69(13) . . ?
C23 N9 C22 118.2(2) . . ?
C23 N9 Fe 128.72(15) . . ?
C22 N9 Fe 112.83(13) . . ?
N1 C1 C2 110.4(2) . . ?
N2 C2 C1 110.5(2) . . ?
N2 C3 C4 110.1(2) . . ?
N3 C4 C3 109.9(2) . . ?
N3 C5 C6 110.2(2) . . ?
N1 C6 C5 110.1(2) . . ?
N5 C10 C14 122.7(2) . . ?
N5 C10 C15 113.6(2) . . ?
C14 C10 C15 123.6(2) . . ?
N5 C11 C12 122.5(2) . . ?
C11 C12 C13 119.4(2) . . ?
C14 C13 C12 119.2(2) . . ?
C13 C14 C10 118.8(2) . . ?
N4 C15 C10 113.7(2) . . ?
N7 C16 C20 122.0(2) . . ?
N7 C16 C21 113.9(2) . . ?
C20 C16 C21 124.1(2) . . ?
N7 C17 C18 122.4(2) . . ?
C19 C18 C17 119.5(2) . . ?
C18 C19 C20 119.0(2) . . ?
C19 C20 C16 119.2(2) . . ?
N6 C21 C16 113.8(2) . . ?
N9 C22 C26 122.3(2) . . ?
N9 C22 C27 113.5(2) . . ?
C26 C22 C27 124.1(2) . . ?
N9 C23 C24 121.9(2) . . ?
C23 C24 C25 119.7(2) . . ?
C26 C25 C24 118.7(2) . . ?
C25 C26 C22 119.1(2) . . ?
N8 C27 C22 113.5(2) . . ?
O10 Cl1 O12 109.38(15) . . ?
O10 Cl1 O11 110.3(2) . . ?
O12 Cl1 O11 108.26(14) . . ?
O10 Cl1 O13 109.77(14) . . ?
O12 Cl1 O13 110.71(14) . . ?
O11 Cl1 O13 108.42(12) . . ?
O23 Cl2 O21 109.2(2) . . ?
O23 Cl2 O22 110.8(2) . . ?
O21 Cl2 O22 108.1(2) . . ?
O23 Cl2 O20 110.12(13) . . ?
O21 Cl2 O20 109.93(12) . . ?
O22 Cl2 O20 108.69(12) . . ?
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
Cr O2 1.961(2) . ?
Cr O3 1.962(2) . ?
Cr O1 1.962(2) . ?
Cr N2 2.103(2) . ?
Cr N3 2.104(2) . ?
Cr N1 2.112(2) . ?
Fe N4 1.898(2) . ?
Fe N6 1.904(2) . ?
Fe N8 1.910(2) . ?
Fe N9 1.970(2) . ?
Fe N7 1.984(2) . ?
Fe N5 1.986(2) . ?
O1 N4 1.357(2) . ?
O2 N6 1.364(2) . ?
O3 N8 1.358(2) . ?
N1 C7 1.487(3) . ?
N1 C6 1.491(3) . ?
N1 C1 1.505(3) . ?
N2 C8 1.479(3) . ?
N2 C2 1.492(3) . ?
N2 C3 1.509(3) . ?
N3 C9 1.487(3) . ?
N3 C4 1.498(3) . ?
N3 C5 1.500(3) . ?
N4 C15 1.294(3) . ?
N5 C11 1.355(3) . ?
N5 C10 1.364(3) . ?
N6 C21 1.297(3) . ?
N7 C17 1.349(3) . ?
N7 C16 1.362(3) . ?
N8 C27 1.298(3) . ?
N9 C23 1.349(3) . ?
N9 C22 1.363(3) . ?
C1 C2 1.517(3) . ?
C3 C4 1.516(3) . ?
C5 C6 1.518(3) . ?
C10 C14 1.390(3) . ?
C10 C15 1.447(3) . ?
C11 C12 1.383(3) . ?
C12 C13 1.386(3) . ?
C13 C14 1.383(3) . ?
C16 C20 1.393(3) . ?
C16 C21 1.443(3) . ?
C17 C18 1.387(3) . ?
C18 C19 1.378(4) . ?
C19 C20 1.380(4) . ?
C22 C26 1.386(3) . ?
C22 C27 1.453(3) . ?
C23 C24 1.386(3) . ?
C24 C25 1.388(3) . ?
C25 C26 1.384(3) . ?
Cl1 O10 1.422(2) . ?
Cl1 O12 1.434(2) . ?
Cl1 O11 1.438(2) . ?
Cl1 O13 1.442(2) . ?
Cl2 O23 1.416(2) . ?
Cl2 O21 1.424(2) . ?
Cl2 O22 1.428(2) . ?
Cl2 O20 1.450(2) . ?
