#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:52:44 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179310 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/07/4320702.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_4320702
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 H39 Cr Cu N9 O3]2+, 2 (ClO4)-'
_chemical_formula_sum            'C27 H39 Cl2 Cr Cu N9 O11'
_chemical_formula_weight         852.11
_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                111.74(3)
_cell_angle_beta                 102.04(3)
_cell_angle_gamma                101.77(3)
_cell_formula_units_Z            2
_cell_length_a                   12.063(2)
_cell_length_b                   12.627(3)
_cell_length_c                   12.910(3)
_cell_measurement_reflns_used    2915
_cell_measurement_temperature    100(2)
_cell_volume                     1698.6(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, 0.43 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  0.0613
_diffrn_reflns_av_sigmaI/netI    0.0737
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6826
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    1.176
_exptl_absorpt_correction_T_max  0.8672
_exptl_absorpt_correction_T_min  0.7956
_exptl_absorpt_correction_type   'SADABS, G.M. Sheldrick, 1994'
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_F_000             878
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.783
_refine_diff_density_min         -0.807
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.113
_refine_ls_goodness_of_fit_obs   1.082
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         4792
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_restrained_S_obs      1.082
_refine_ls_R_factor_all          0.0904
_refine_ls_R_factor_obs          0.0588
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0089P)²+11.2869P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1376
_refine_ls_wR_factor_obs         0.1138
_reflns_number_observed          3583
_reflns_number_total             4793
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic010552y_4.cif
_cod_data_source_block           5
_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^)+(0.0089P)^2^+11.2869P] 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^)+(0.0089P)^2^+11.2869P] 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        1698.7(6)
_cod_database_code               4320702
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
Cu1 Cu 0.70089(7) 0.44621(7) 0.24082(7) 0.0205(2) Uani 1 d . .
Cr1 Cr 0.79307(9) 0.71329(9) 0.50599(9) 0.0155(3) Uani 1 d . .
O1 O 0.8563(4) 0.7251(4) 0.3813(4) 0.0205(11) Uani 1 d . .
O2 O 0.6264(4) 0.6307(4) 0.4083(4) 0.0197(10) Uani 1 d . .
O3 O 0.8331(4) 0.5696(4) 0.5014(4) 0.0208(11) Uani 1 d . .
N1 N 0.7633(4) 0.8806(5) 0.5422(4) 0.0156(12) Uani 1 d . .
N2 N 0.7403(5) 0.7302(5) 0.6560(4) 0.0158(12) Uani 1 d . .
N3 N 0.9604(5) 0.8212(5) 0.6314(5) 0.0181(13) Uani 1 d . .
N4 N 0.8257(5) 0.3910(5) 0.1650(5) 0.0190(13) Uani 1 d . .
N5 N 0.8460(5) 0.6145(5) 0.3025(5) 0.0213(13) Uani 1 d . .
N6 N 0.5654(5) 0.3884(4) 0.0874(4) 0.0158(12) Uani 1 d . .
N7 N 0.5998(5) 0.5457(4) 0.2988(4) 0.0153(12) Uani 1 d . .
N8 N 0.6197(5) 0.2472(5) 0.2385(5) 0.0203(13) Uani 1 d . .
N9 N 0.7644(5) 0.4626(5) 0.4125(5) 0.0201(13) Uani 1 d . .
C1 C 0.6678(6) 0.8774(6) 0.5991(6) 0.0177(15) Uani 1 d . .
H1A H 0.5930(6) 0.8215(6) 0.5410(6) 0.021 Uiso 1 calc R .
H1B H 0.6577(6) 0.9562(6) 0.6306(6) 0.021 Uiso 1 calc R .
C2 C 0.6997(6) 0.8393(6) 0.6975(6) 0.020(2) Uani 1 d . .
H2A H 0.7627(6) 0.9044(6) 0.7641(6) 0.024 Uiso 1 calc R .
H2B H 0.6306(6) 0.8216(6) 0.7228(6) 0.024 Uiso 1 calc R .
C3 C 0.8512(6) 0.7425(6) 0.7427(6) 0.022(2) Uani 1 d . .
H3A H 0.8688(6) 0.6670(6) 0.7180(6) 0.026 Uiso 1 calc R .
H3B H 0.8394(6) 0.7620(6) 0.8188(6) 0.026 Uiso 1 calc R .
C4 C 0.9549(6) 0.8402(6) 0.7522(6) 0.022(2) Uani 1 d . .
H4A H 0.9451(6) 0.9180(6) 0.7918(6) 0.026 Uiso 1 calc R .
H4B H 1.0288(6) 0.8386(6) 0.7980(6) 0.026 Uiso 1 calc R .
C5 C 0.9832(6) 0.9361(6) 0.6192(6) 0.022(2) Uani 1 d . .
H5A H 0.9974(6) 0.9233(6) 0.5449(6) 0.027 Uiso 1 calc R .
H5B H 1.0536(6) 0.9953(6) 0.6818(6) 0.027 Uiso 1 calc R .
C6 C 0.8765(6) 0.9816(6) 0.6248(6) 0.022(2) Uani 1 d . .
H6A H 0.8846(6) 1.0475(6) 0.6025(6) 0.026 Uiso 1 calc R .
H6B H 0.8726(6) 1.0108(6) 0.7044(6) 0.026 Uiso 1 calc R .
C7 C 0.7200(6) 0.8974(6) 0.4348(6) 0.025(2) Uani 1 d . .
H7A H 0.7808(6) 0.8996(6) 0.3974(6) 0.037 Uiso 1 calc R .
H7B H 0.7013(6) 0.9714(6) 0.4557(6) 0.037 Uiso 1 calc R .
H7C H 0.6498(6) 0.8320(6) 0.3819(6) 0.037 Uiso 1 calc R .
C8 C 0.6441(6) 0.6240(6) 0.6373(6) 0.024(2) Uani 1 d . .
H8A H 0.5724(6) 0.6154(6) 0.5816(6) 0.037 Uiso 1 calc R .
H8B H 0.6300(6) 0.6346(6) 0.7104(6) 0.037 Uiso 1 calc R .
H8C H 0.6679(6) 0.5534(6) 0.6077(6) 0.037 Uiso 1 calc R .
C9 C 1.0575(6) 0.7688(6) 0.6073(6) 0.027(2) Uani 1 d . .
H9A H 1.0439(6) 0.6948(6) 0.6148(6) 0.040 Uiso 1 calc R .
H9B H 1.1328(6) 0.8240(6) 0.6625(6) 0.040 Uiso 1 calc R .
H9C H 1.0585(6) 0.7540(6) 0.5290(6) 0.040 Uiso 1 calc R .
C10 C 0.9177(6) 0.4804(6) 0.1740(5) 0.019(2) Uani 1 d . .
C11 C 1.0025(6) 0.4579(7) 0.1168(6) 0.026(2) Uani 1 d . .
H11 H 1.0647(6) 0.5204(7) 0.1246(6) 0.031 Uiso 1 calc R .
C12 C 0.9912(6) 0.3405(6) 0.0484(6) 0.024(2) Uani 1 d . .
H12 H 1.0455(6) 0.3228(6) 0.0081(6) 0.029 Uiso 1 calc R .
C13 C 0.8999(6) 0.2497(6) 0.0396(6) 0.023(2) Uani 1 d . .
H13 H 0.8926(6) 0.1702(6) -0.0056(6) 0.027 Uiso 1 calc R .
C14 C 0.8191(6) 0.2769(6) 0.0981(6) 0.021(2) Uani 1 d . .
H14 H 0.7574(6) 0.2145(6) 0.0914(6) 0.025 Uiso 1 calc R .
C15 C 0.9270(6) 0.6034(6) 0.2517(6) 0.024(2) Uani 1 d . .
H15A H 1.0041(6) 0.6387(6) 0.3120(6) 0.029 Uiso 1 calc R .
H15B H 0.9250(6) 0.6496(6) 0.2061(6) 0.029 Uiso 1 calc R .
C16 C 0.4759(6) 0.4379(5) 0.1053(6) 0.0159(15) Uani 1 d . .
C17 C 0.3738(6) 0.4062(6) 0.0141(6) 0.019(2) Uani 1 d . .
H17 H 0.3145(6) 0.4415(6) 0.0274(6) 0.023 Uiso 1 calc R .
C18 C 0.3599(6) 0.3221(6) -0.0970(6) 0.022(2) Uani 1 d . .
H18 H 0.2912(6) 0.2991(6) -0.1591(6) 0.027 Uiso 1 calc R .
C19 C 0.4509(6) 0.2733(6) -0.1130(6) 0.022(2) Uani 1 d . .
H19 H 0.4448(6) 0.2172(6) -0.1868(6) 0.027 Uiso 1 calc R .
C20 C 0.5512(6) 0.3083(6) -0.0189(6) 0.020(2) Uani 1 d . .
H20 H 0.6114(6) 0.2739(6) -0.0310(6) 0.024 Uiso 1 calc R .
C21 C 0.5005(5) 0.5274(6) 0.2242(5) 0.0159(15) Uani 1 d . .
H21A H 0.4993(5) 0.6028(6) 0.2212(5) 0.019 Uiso 1 calc R .
H21B H 0.4362(5) 0.5036(6) 0.2532(5) 0.019 Uiso 1 calc R .
C22 C 0.6620(6) 0.2570(6) 0.3489(6) 0.018(2) Uani 1 d . .
C23 C 0.6294(6) 0.1613(6) 0.3768(6) 0.022(2) Uani 1 d . .
H23 H 0.6597(6) 0.1697(6) 0.4528(6) 0.026 Uiso 1 calc R .
C24 C 0.5504(6) 0.0526(6) 0.2890(6) 0.024(2) Uani 1 d . .
H24 H 0.5276(6) -0.0128(6) 0.3054(6) 0.028 Uiso 1 calc R .
C25 C 0.5067(6) 0.0435(6) 0.1778(6) 0.024(2) Uani 1 d . .
H25 H 0.4530(6) -0.0277(6) 0.1178(6) 0.029 Uiso 1 calc R .
C26 C 0.5446(6) 0.1429(6) 0.1572(6) 0.024(2) Uani 1 d . .
H26 H 0.5154(6) 0.1359(6) 0.0816(6) 0.029 Uiso 1 calc R .
C27 C 0.7404(6) 0.3736(6) 0.4388(6) 0.022(2) Uani 1 d . .
H27A H 0.7057(6) 0.3968(6) 0.5020(6) 0.026 Uiso 1 calc R .
H27B H 0.8155(6) 0.3630(6) 0.4703(6) 0.026 Uiso 1 calc R .
Cl1 Cl 0.78936(15) 0.90966(14) 0.03180(14) 0.0223(4) Uani 1 d . .
O10 O 0.7470(5) 0.9898(5) 0.1124(5) 0.060(2) Uani 1 d . .
O11 O 0.8627(5) 0.8606(5) 0.0925(5) 0.047(2) Uani 1 d . .
O12 O 0.8610(5) 0.9737(5) -0.0154(5) 0.0450(15) Uani 1 d . .
O13 O 0.6911(4) 0.8137(4) -0.0624(4) 0.0292(12) Uani 1 d . .
Cl2 Cl 0.70064(15) 1.2423(2) 0.7345(2) 0.0253(4) Uani 1 d . .
O20 O 0.7868(4) 1.2336(5) 0.6725(5) 0.0412(14) Uani 1 d . .
O21 O 0.5830(4) 1.2034(5) 0.6530(5) 0.0424(14) Uani 1 d . .
O22 O 0.7022(5) 1.1640(5) 0.7927(5) 0.0456(15) Uani 1 d . .
O23 O 0.7278(4) 1.3624(4) 0.8218(5) 0.0389(14) 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'
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
N7 Cu1 N6 80.0(2) . . ?
N7 Cu1 N4 159.9(2) . . ?
N6 Cu1 N4 96.9(2) . . ?
N7 Cu1 N9 87.3(2) . . ?
N6 Cu1 N9 151.1(2) . . ?
N4 Cu1 N9 103.4(2) . . ?
N7 Cu1 N5 87.6(2) . . ?
N6 Cu1 N5 119.8(2) . . ?
N4 Cu1 N5 76.6(2) . . ?
N9 Cu1 N5 85.1(2) . . ?
O3 Cr1 O2 96.2(2) . . ?
O3 Cr1 O1 96.7(2) . . ?
O2 Cr1 O1 96.9(2) . . ?
O3 Cr1 N3 90.0(2) . . ?
O2 Cr1 N3 170.1(2) . . ?
O1 Cr1 N3 89.9(2) . . ?
O3 Cr1 N1 170.2(2) . . ?
O2 Cr1 N1 90.2(2) . . ?
O1 Cr1 N1 89.9(2) . . ?
N3 Cr1 N1 82.7(2) . . ?
O3 Cr1 N2 89.5(2) . . ?
O2 Cr1 N2 89.2(2) . . ?
O1 Cr1 N2 170.8(2) . . ?
N3 Cr1 N2 83.2(2) . . ?
N1 Cr1 N2 83.2(2) . . ?
N5 O1 Cr1 109.8(4) . . ?
N7 O2 Cr1 120.0(3) . . ?
N9 O3 Cr1 118.2(3) . . ?
C7 N1 C1 108.7(5) . . ?
C7 N1 C6 109.8(5) . . ?
C1 N1 C6 111.1(5) . . ?
C7 N1 Cr1 113.0(4) . . ?
C1 N1 Cr1 104.1(4) . . ?
C6 N1 Cr1 110.1(4) . . ?
C8 N2 C3 108.9(5) . . ?
C8 N2 C2 108.8(5) . . ?
C3 N2 C2 111.9(5) . . ?
C8 N2 Cr1 114.0(4) . . ?
C3 N2 Cr1 103.2(4) . . ?
C2 N2 Cr1 109.9(4) . . ?
C9 N3 C5 108.7(5) . . ?
C9 N3 C4 109.9(5) . . ?
C5 N3 C4 111.5(5) . . ?
C9 N3 Cr1 112.4(4) . . ?
C5 N3 Cr1 104.5(4) . . ?
C4 N3 Cr1 109.8(4) . . ?
C14 N4 C10 117.3(6) . . ?
C14 N4 Cu1 126.8(5) . . ?
C10 N4 Cu1 115.5(4) . . ?
C15 N5 O1 117.9(6) . . ?
C15 N5 Cu1 114.0(5) . . ?
O1 N5 Cu1 128.1(4) . . ?
C20 N6 C16 118.5(6) . . ?
C20 N6 Cu1 129.5(4) . . ?
C16 N6 Cu1 111.9(4) . . ?
C21 N7 O2 117.4(5) . . ?
C21 N7 Cu1 116.9(4) . . ?
O2 N7 Cu1 125.8(4) . . ?
C26 N8 C22 117.7(6) . . ?
C27 N9 O3 116.6(6) . . ?
C27 N9 Cu1 122.7(5) . . ?
O3 N9 Cu1 120.6(4) . . ?
N1 C1 C2 110.5(5) . . ?
N2 C2 C1 110.2(5) . . ?
N2 C3 C4 110.2(5) . . ?
N3 C4 C3 109.7(5) . . ?
N3 C5 C6 109.7(5) . . ?
C5 C6 N1 109.5(5) . . ?
N4 C10 C11 122.5(6) . . ?
N4 C10 C15 116.6(6) . . ?
C11 C10 C15 120.8(6) . . ?
C12 C11 C10 118.1(7) . . ?
C13 C12 C11 120.0(6) . . ?
C12 C13 C14 119.5(6) . . ?
N4 C14 C13 122.6(6) . . ?
N5 C15 C10 116.1(6) . . ?
N6 C16 C17 121.1(6) . . ?
N6 C16 C21 114.6(6) . . ?
C17 C16 C21 124.3(6) . . ?
C16 C17 C18 120.0(6) . . ?
C19 C18 C17 118.0(6) . . ?
C18 C19 C20 119.7(6) . . ?
N6 C20 C19 122.8(6) . . ?
N7 C21 C16 116.2(6) . . ?
N8 C22 C23 121.9(6) . . ?
N8 C22 C27 117.3(6) . . ?
C23 C22 C27 120.8(6) . . ?
C22 C23 C24 118.8(7) . . ?
C25 C24 C23 119.1(6) . . ?
C24 C25 C26 118.4(7) . . ?
N8 C26 C25 124.1(7) . . ?
N9 C27 C22 119.8(6) . . ?
O10 Cl1 O12 109.6(4) . . ?
O10 Cl1 O13 110.5(3) . . ?
O12 Cl1 O13 109.6(3) . . ?
O10 Cl1 O11 109.2(4) . . ?
O12 Cl1 O11 108.4(4) . . ?
O13 Cl1 O11 109.5(3) . . ?
O23 Cl2 O20 111.0(3) . . ?
O23 Cl2 O21 110.5(3) . . ?
O20 Cl2 O21 109.9(3) . . ?
O23 Cl2 O22 108.3(3) . . ?
O20 Cl2 O22 109.2(3) . . ?
O21 Cl2 O22 107.8(3) . . ?
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 N7 1.983(5) . ?
Cu1 N6 2.054(5) . ?
Cu1 N4 2.061(5) . ?
Cu1 N9 2.104(6) . ?
Cu1 N5 2.205(6) . ?
Cr1 O3 1.955(4) . ?
Cr1 O2 1.958(4) . ?
Cr1 O1 1.960(4) . ?
Cr1 N3 2.105(5) . ?
Cr1 N1 2.112(5) . ?
Cr1 N2 2.113(5) . ?
O1 N5 1.352(7) . ?
O2 N7 1.342(6) . ?
O3 N9 1.352(7) . ?
N1 C7 1.484(8) . ?
N1 C1 1.492(8) . ?
N1 C6 1.517(8) . ?
N2 C8 1.487(8) . ?
N2 C3 1.493(8) . ?
N2 C2 1.505(8) . ?
N3 C9 1.492(8) . ?
N3 C5 1.493(8) . ?
N3 C4 1.505(8) . ?
N4 C14 1.353(8) . ?
N4 C10 1.364(8) . ?
N5 C15 1.288(8) . ?
N6 C20 1.320(8) . ?
N6 C16 1.372(8) . ?
N7 C21 1.287(8) . ?
N8 C26 1.322(9) . ?
N8 C22 1.360(8) . ?
N9 C27 1.285(8) . ?
C1 C2 1.523(9) . ?
C3 C4 1.516(9) . ?
C5 C6 1.517(9) . ?
C10 C11 1.396(9) . ?
C10 C15 1.469(9) . ?
C11 C12 1.376(10) . ?
C12 C13 1.370(10) . ?
C13 C14 1.375(9) . ?
C16 C17 1.381(9) . ?
C16 C21 1.452(9) . ?
C17 C18 1.383(9) . ?
C18 C19 1.380(9) . ?
C19 C20 1.380(9) . ?
C22 C23 1.390(9) . ?
C22 C27 1.455(9) . ?
C23 C24 1.393(10) . ?
C24 C25 1.375(10) . ?
C25 C26 1.386(10) . ?
Cl1 O10 1.421(5) . ?
Cl1 O12 1.438(5) . ?
Cl1 O13 1.440(5) . ?
Cl1 O11 1.440(5) . ?
Cl2 O23 1.433(5) . ?
Cl2 O20 1.436(5) . ?
Cl2 O21 1.439(5) . ?
Cl2 O22 1.447(5) . ?
