#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:24:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179244 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/64/4316431.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_4316431
loop_
_publ_author_name
'Ming Li'
'Teresa J. Neal'
'Graeme R. A. Wyllie'
'Charles E. Schulz'
'W. Robert Scheidt'
_publ_section_title
;
 Structural and Magnetic Effects of meso-Substitution in Alkyl-Substituted
 Metalloporphyrinate π-Cation Radicals: Characterization of
 [Fe(TalkylP.)(Cl)]SbCl6 (alkyl = ethyl andn-propyl)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8078
_journal_page_last               8085
_journal_paper_doi               10.1021/ic101099z
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C33 H38 Cl9 Fe N4 Sb'
_chemical_formula_weight         987.32
_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-97
_cell_angle_alpha                111.079(5)
_cell_angle_beta                 103.848(7)
_cell_angle_gamma                101.504(5)
_cell_formula_units_Z            2
_cell_length_a                   10.0407(1)
_cell_length_b                   14.4882(6)
_cell_length_c                   15.7601(9)
_cell_measurement_reflns_used    250
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      20.5
_cell_measurement_theta_min      -20.5
_cell_volume                     1971.2(2)
_computing_cell_refinement       Madnes
_computing_data_collection       Madnes
_computing_data_reduction        'madnes (Messerschmitt & Pflugraph, 1987)'
_computing_molecular_graphics    'Ortep III (burnett, Johnson, 1996)'
_computing_publication_material  Shelxl-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.884
_diffrn_measurement_device_type  'Enraf-nonius Fast Area-Detector'
_diffrn_measurement_method       'Ellipsoid-mask Fitting'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0701
_diffrn_reflns_av_sigmaI/netI    0.0470
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19282
_diffrn_reflns_theta_full        29.82
_diffrn_reflns_theta_max         28.82
_diffrn_reflns_theta_min         2.19
_diffrn_standards_decay_%        'No measurable crystal decay'
_exptl_absorpt_coefficient_mu    1.694
_exptl_absorpt_correction_T_max  0.7281
_exptl_absorpt_correction_T_min  0.5730
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   'Stuart & Walker, 1983)'
_exptl_crystal_colour            'Dark purple'
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_description       Rhombohedron
_exptl_crystal_F_000             988
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.73
_refine_diff_density_min         -1.78
_refine_diff_density_rms         0.179
_refine_ls_extinction_coef       0.0153(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         9979
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1277
_refine_ls_wR_factor_ref         0.1338
_reflns_number_gt                8908
_reflns_number_total             9979
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101099z_si_002_2.cif
_cod_data_source_block           sd:fetprclsbcl6
_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.

'_exptl_absorpt_correction_type' value 'Refdelf' changed
to 'refdelf' 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 
;
_cod_database_code               4316431
#BEGIN Tags that were not found in dictionaries:
_refine_weighting_scheme_details
'w=1/[σ²(Fo²)+(0.0853P)²+2.3858P] where P=(Fo²+2Fc²)/3'
#END Tags that were not found in dictionaries
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_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.23787(4) 0.02952(3) 0.06908(2) 0.01027(10) Uani 1 d . . .
Cl1 Cl 0.47041(7) 0.09086(6) 0.10837(5) 0.02117(15) Uani 1 d . . .
N1 N 0.1618(2) 0.10457(17) -0.01262(15) 0.0125(4) Uani 1 d . . .
N2 N 0.1787(2) -0.10056(17) -0.05956(16) 0.0134(4) Uani 1 d . . .
N3 N 0.2116(2) -0.07114(17) 0.13374(16) 0.0146(4) Uani 1 d . . .
N4 N 0.1985(2) 0.13490(17) 0.18165(15) 0.0124(4) Uani 1 d . . .
C(M1 C 0.1719(3) 0.2668(2) 0.11903(19) 0.0155(5) Uani 1 d . . .
C(M2 C 0.1466(3) -0.0189(2) -0.17372(18) 0.0147(5) Uani 1 d . . .
C(M3 C 0.2072(3) -0.2318(2) 0.0035(2) 0.0203(5) Uani 1 d . . .
C(M4 C 0.2264(3) 0.0524(2) 0.29454(19) 0.0162(5) Uani 1 d . . .
C(A1 C 0.1584(3) 0.2051(2) 0.02317(19) 0.0145(5) Uani 1 d . . .
C(A2 C 0.1476(3) 0.0767(2) -0.10887(18) 0.0136(4) Uani 1 d . . .
C(A3 C 0.1609(3) -0.1020(2) -0.14869(18) 0.0148(5) Uani 1 d . . .
C(A4 C 0.1919(3) -0.1969(2) -0.0689(2) 0.0176(5) Uani 1 d . . .
C(A5 C 0.2127(3) -0.1722(2) 0.0979(2) 0.0188(5) Uani 1 d . . .
C(A6 C 0.2189(3) -0.0446(2) 0.2285(2) 0.0166(5) Uani 1 d . . .
C(A7 C 0.2205(3) 0.1370(2) 0.27171(18) 0.0151(5) Uani 1 d . . .
C(A8 C 0.1927(3) 0.2326(2) 0.19257(18) 0.0137(4) Uani 1 d . . .
C(B1 C 0.1427(3) 0.2417(2) -0.0512(2) 0.0200(5) Uani 1 d . . .
H(B1 H 0.1384 0.3087 -0.0445 0.024 Uiso 1 calc R . .
C(B2 C 0.1354(3) 0.1624(2) -0.1324(2) 0.0190(5) Uani 1 d . . .
H(B2 H 0.1241 0.1631 -0.1937 0.023 Uiso 1 calc R . .
C(B3 C 0.1607(3) -0.2001(2) -0.21541(19) 0.0196(5) Uani 1 d . . .
H(B3 H 0.1480 -0.2205 -0.2820 0.023 Uiso 1 calc R . .
C(B4 C 0.1819(3) -0.2580(2) -0.1661(2) 0.0219(6) Uani 1 d . . .
H(B4 H 0.1889 -0.3264 -0.1910 0.026 Uiso 1 calc R . .
C(B5 C 0.2194(3) -0.2094(2) 0.1710(2) 0.0232(6) Uani 1 d . . .
H(B5 H 0.2215 -0.2770 0.1642 0.028 Uiso 1 calc R . .
C(B6 C 0.2222(3) -0.1323(2) 0.2508(2) 0.0227(6) Uani 1 d . . .
H(B6 H 0.2258 -0.1349 0.3106 0.027 Uiso 1 calc R . .
C(B7 C 0.2318(3) 0.2378(2) 0.33990(19) 0.0191(5) Uani 1 d . . .
H(B7 H 0.2495 0.2593 0.4072 0.023 Uiso 1 calc R . .
C(B8 C 0.2127(3) 0.2966(2) 0.2910(2) 0.0189(5) Uani 1 d . . .
H(B8 H 0.2126 0.3668 0.3169 0.023 Uiso 1 calc R . .
C(11 C 0.1714(3) 0.3773(2) 0.1461(2) 0.0186(5) Uani 1 d . . .
H(1A H 0.1262 0.3971 0.1966 0.022 Uiso 1 calc R . .
H(1B H 0.1123 0.3822 0.0888 0.022 Uiso 1 calc R . .
C(12 C 0.3237(3) 0.4535(2) 0.1837(2) 0.0236(6) Uani 1 d . . .
H(1C H 0.3823 0.4500 0.2421 0.028 Uiso 1 calc R . .
H(1D H 0.3698 0.4331 0.1339 0.028 Uiso 1 calc R . .
C(13 C 0.3207(4) 0.5645(3) 0.2086(3) 0.0321(7) Uani 1 d . . .
H(1E H 0.2611 0.5677 0.1512 0.048 Uiso 1 calc R . .
H(1F H 0.4193 0.6113 0.2303 0.048 Uiso 1 calc R . .
H(1G H 0.2797 0.5861 0.2603 0.048 Uiso 1 calc R . .
C(21 C 0.1330(3) -0.0366(2) -0.27652(19) 0.0188(5) Uani 1 d . . .
H(2A H 0.0941 0.0158 -0.2908 0.023 Uiso 1 calc R . .
H(2B H 0.0629 -0.1064 -0.3213 0.023 Uiso 1 calc R . .
C(22 C 0.2777(3) -0.0296(3) -0.2953(2) 0.0268(6) Uani 1 d . . .
H(2C H 0.3148 -0.0838 -0.2832 0.032 Uiso 1 calc R . .
H(2D H 0.2605 -0.0446 -0.3641 0.032 Uiso 1 calc R . .
C(23 C 0.3915(4) 0.0757(3) -0.2328(3) 0.0339(8) Uani 1 d . . .
H(2E H 0.3562 0.1297 -0.2450 0.051 Uiso 1 calc R . .
H(2F H 0.4802 0.0755 -0.2485 0.051 Uiso 1 calc R . .
H(2G H 0.4118 0.0901 -0.1645 0.051 Uiso 1 calc R . .
C(31 C 0.2218(5) -0.3393(2) -0.0194(3) 0.0342(8) Uani 1 d . . .
H(3A H 0.1559 -0.3751 0.0049 0.041 Uiso 1 calc R A 1
H(3B H 0.1869 -0.3788 -0.0906 0.041 Uiso 1 calc R A 1
C32A C 0.3592(11) -0.3467(8) 0.0171(9) 0.0257(14) Uani 0.509(8) d P B 1
H32A H 0.3514 -0.4195 0.0064 0.031 Uiso 0.509(8) calc PR B 1
H32B H 0.4021 -0.3017 0.0875 0.031 Uiso 0.509(8) calc PR B 1
C33A C 0.4546(8) -0.3119(7) -0.0353(6) 0.0392(19) Uani 0.509(8) d P B 1
H33A H 0.4078 -0.3536 -0.1052 0.059 Uiso 0.509(8) calc PR B 1
H33B H 0.5486 -0.3218 -0.0143 0.059 Uiso 0.509(8) calc PR B 1
H33C H 0.4684 -0.2381 -0.0199 0.059 Uiso 0.509(8) calc PR B 1
C32B C 0.3993(12) -0.3265(9) 0.0095(9) 0.0257(14) Uani 0.491(8) d P B 2
H32C H 0.4406 -0.2953 -0.0287 0.031 Uiso 0.491(8) calc PR B 2
H32D H 0.4494 -0.2787 0.0788 0.031 Uiso 0.491(8) calc PR B 2
C33B C 0.4256(9) -0.4311(6) -0.0100(6) 0.0357(19) Uani 0.491(8) d P B 2
H33D H 0.3851 -0.4621 0.0278 0.054 Uiso 0.491(8) calc PR B 2
H33E H 0.5298 -0.4206 0.0085 0.054 Uiso 0.491(8) calc PR B 2
H33F H 0.3789 -0.4779 -0.0790 0.054 Uiso 0.491(8) calc PR B 2
C(41 C 0.2468(3) 0.0698(2) 0.3977(2) 0.0203(5) Uani 1 d . . .
H(4A H 0.1990 0.0036 0.3987 0.024 Uiso 1 calc R . .
H(4B H 0.2001 0.1215 0.4261 0.024 Uiso 1 calc R . .
C(42 C 0.4070(3) 0.1088(3) 0.4593(2) 0.0231(6) Uani 1 d . . .
H(4C H 0.4526 0.0554 0.4332 0.028 Uiso 1 calc R . .
H(4D H 0.4561 0.1729 0.4556 0.028 Uiso 1 calc R . .
C(43 C 0.4262(4) 0.1314(4) 0.5636(2) 0.0361(8) Uani 1 d . . .
H(4E H 0.3948 0.1916 0.5925 0.054 Uiso 1 calc R . .
H(4F H 0.5283 0.1467 0.5994 0.054 Uiso 1 calc R . .
H(4G H 0.3679 0.0706 0.5667 0.054 Uiso 1 calc R . .
Sb(1 Sb 0.956135(19) 0.663187(14) 0.363571(12) 0.01772(8) Uani 1 d . . .
Cl(2 Cl 0.70589(10) 0.58033(11) 0.30939(9) 0.0532(3) Uani 1 d . . .
Cl(3 Cl 0.91839(12) 0.82530(8) 0.38609(8) 0.0429(2) Uani 1 d . . .
Cl(4 Cl 0.96877(11) 0.69160(7) 0.52256(6) 0.0361(2) Uani 1 d . . .
Cl(5 Cl 0.94337(11) 0.62697(8) 0.20241(6) 0.0377(2) Uani 1 d . . .
Cl(6 Cl 0.99945(10) 0.50329(6) 0.34263(6) 0.03241(18) Uani 1 d . . .
Cl(7 Cl 1.20642(8) 0.74833(6) 0.42024(6) 0.02907(17) Uani 1 d . . .
Cl(8 Cl 1.42263(11) 0.58968(7) 0.46924(6) 0.0380(2) Uani 1 d . . .
Cl(9 Cl 1.40350(11) 0.69185(8) 0.66159(7) 0.0444(2) Uani 1 d . . .
C(1) C 1.3278(5) 0.5834(3) 0.5492(3) 0.0409(9) Uani 1 d . . .
H(1H H 1.2263 0.5782 0.5194 0.049 Uiso 1 calc R . .
H(1I H 1.3273 0.5196 0.5591 0.049 Uiso 1 calc R . .
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'
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'
Sb Sb -0.5866 1.5461 '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 Fe1 N4 154.26(9) . . ?
N2 Fe1 N3 87.15(9) . . ?
N4 Fe1 N3 86.91(9) . . ?
N2 Fe1 N1 87.00(9) . . ?
N4 Fe1 N1 87.16(8) . . ?
N3 Fe1 N1 153.35(9) . . ?
N2 Fe1 Cl1 103.53(7) . . ?
N4 Fe1 Cl1 102.21(6) . . ?
N3 Fe1 Cl1 104.01(7) . . ?
N1 Fe1 Cl1 102.64(6) . . ?
C(A1 N1 C(A2 105.8(2) . . ?
C(A1 N1 Fe1 125.75(17) . . ?
C(A2 N1 Fe1 125.79(17) . . ?
C(A3 N2 C(A4 105.5(2) . . ?
C(A3 N2 Fe1 126.42(18) . . ?
C(A4 N2 Fe1 125.54(17) . . ?
C(A5 N3 C(A6 105.8(2) . . ?
C(A5 N3 Fe1 126.44(19) . . ?
C(A6 N3 Fe1 126.60(18) . . ?
C(A7 N4 C(A8 105.4(2) . . ?
C(A7 N4 Fe1 125.77(17) . . ?
C(A8 N4 Fe1 125.75(17) . . ?
C(A8 C(M1 C(A1 123.7(2) . . ?
C(A8 C(M1 C(11 117.6(2) . . ?
C(A1 C(M1 C(11 118.6(2) . . ?
C(A2 C(M2 C(A3 123.6(2) . . ?
C(A2 C(M2 C(21 119.5(2) . . ?
C(A3 C(M2 C(21 116.9(2) . . ?
C(A4 C(M3 C(A5 123.8(3) . . ?
C(A4 C(M3 C(31 118.6(3) . . ?
C(A5 C(M3 C(31 117.5(3) . . ?
C(A6 C(M4 C(A7 123.8(2) . . ?
C(A6 C(M4 C(41 118.6(2) . . ?
C(A7 C(M4 C(41 117.6(3) . . ?
N1 C(A1 C(M1 126.1(2) . . ?
N1 C(A1 C(B1 110.3(2) . . ?
C(M1 C(A1 C(B1 123.6(2) . . ?
N1 C(A2 C(M2 125.9(2) . . ?
N1 C(A2 C(B2 109.7(2) . . ?
C(M2 C(A2 C(B2 124.5(2) . . ?
N2 C(A3 C(M2 126.0(2) . . ?
N2 C(A3 C(B3 110.5(2) . . ?
C(M2 C(A3 C(B3 123.5(2) . . ?
N2 C(A4 C(M3 125.8(2) . . ?
N2 C(A4 C(B4 109.8(2) . . ?
C(M3 C(A4 C(B4 124.4(3) . . ?
N3 C(A5 C(M3 125.9(3) . . ?
N3 C(A5 C(B5 109.7(3) . . ?
C(M3 C(A5 C(B5 124.4(3) . . ?
N3 C(A6 C(M4 126.0(2) . . ?
N3 C(A6 C(B6 109.7(2) . . ?
C(M4 C(A6 C(B6 124.3(3) . . ?
N4 C(A7 C(M4 125.7(2) . . ?
N4 C(A7 C(B7 110.2(2) . . ?
C(M4 C(A7 C(B7 124.1(2) . . ?
N4 C(A8 C(M1 125.7(2) . . ?
N4 C(A8 C(B8 110.4(2) . . ?
C(M1 C(A8 C(B8 123.8(2) . . ?
C(B2 C(B1 C(A1 106.8(2) . . ?
C(B1 C(B2 C(A2 107.4(2) . . ?
C(B4 C(B3 C(A3 107.2(2) . . ?
C(B3 C(B4 C(A4 107.0(2) . . ?
C(B6 C(B5 C(A5 107.9(3) . . ?
C(B5 C(B6 C(A6 106.9(3) . . ?
C(B8 C(B7 C(A7 107.4(2) . . ?
C(B7 C(B8 C(A8 106.6(2) . . ?
C(M1 C(11 C(12 112.0(2) . . ?
C(13 C(12 C(11 111.2(3) . . ?
C(M2 C(21 C(22 113.2(2) . . ?
C(23 C(22 C(21 113.3(3) . . ?
C32A C(31 C(M3 118.1(5) . . ?
C32A C(31 C32B 16.0(5) . . ?
C(M3 C(31 C32B 107.7(4) . . ?
C(31 C32A C33A 108.5(7) . . ?
C33B C32B C(31 111.7(7) . . ?
C(M4 C(41 C(42 111.7(2) . . ?
C(43 C(42 C(41 111.2(3) . . ?
Cl(2 Sb(1 Cl(7 179.00(4) . . ?
Cl(2 Sb(1 Cl(4 89.74(4) . . ?
Cl(7 Sb(1 Cl(4 89.49(3) . . ?
Cl(2 Sb(1 Cl(6 90.52(4) . . ?
Cl(7 Sb(1 Cl(6 90.09(3) . . ?
Cl(4 Sb(1 Cl(6 88.12(3) . . ?
Cl(2 Sb(1 Cl(5 89.84(4) . . ?
Cl(7 Sb(1 Cl(5 90.95(3) . . ?
Cl(4 Sb(1 Cl(5 177.46(3) . . ?
Cl(6 Sb(1 Cl(5 89.38(3) . . ?
Cl(2 Sb(1 Cl(3 90.76(4) . . ?
Cl(7 Sb(1 Cl(3 88.63(3) . . ?
Cl(4 Sb(1 Cl(3 91.78(4) . . ?
Cl(6 Sb(1 Cl(3 178.72(4) . . ?
Cl(5 Sb(1 Cl(3 90.73(4) . . ?
Cl(9 C(1) Cl(8 112.8(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
Fe1 N2 2.060(2) . ?
Fe1 N4 2.064(2) . ?
Fe1 N3 2.069(2) . ?
Fe1 N1 2.071(2) . ?
Fe1 Cl1 2.1700(7) . ?
N1 C(A1 1.370(3) . ?
N1 C(A2 1.385(3) . ?
N2 C(A3 1.365(3) . ?
N2 C(A4 1.386(3) . ?
N3 C(A5 1.370(3) . ?
N3 C(A6 1.382(3) . ?
N4 C(A7 1.371(3) . ?
N4 C(A8 1.378(3) . ?
C(M1 C(A8 1.403(4) . ?
C(M1 C(A1 1.408(4) . ?
C(M1 C(11 1.504(4) . ?
C(M2 C(A2 1.391(4) . ?
C(M2 C(A3 1.417(4) . ?
C(M2 C(21 1.513(4) . ?
C(M3 C(A4 1.394(4) . ?
C(M3 C(A5 1.407(4) . ?
C(M3 C(31 1.513(4) . ?
C(M4 C(A6 1.390(4) . ?
C(M4 C(A7 1.404(4) . ?
C(M4 C(41 1.508(4) . ?
C(A1 C(B1 1.440(4) . ?
C(A2 C(B2 1.436(4) . ?
C(A3 C(B3 1.432(4) . ?
C(A4 C(B4 1.434(4) . ?
C(A5 C(B5 1.432(4) . ?
C(A6 C(B6 1.438(4) . ?
C(A7 C(B7 1.430(4) . ?
C(A8 C(B8 1.431(4) . ?
C(B1 C(B2 1.351(4) . ?
C(B3 C(B4 1.347(4) . ?
C(B5 C(B6 1.337(5) . ?
C(B7 C(B8 1.351(4) . ?
C(11 C(12 1.526(4) . ?
C(12 C(13 1.521(4) . ?
C(21 C(22 1.542(4) . ?
C(22 C(23 1.512(5) . ?
C(31 C32A 1.402(11) . ?
C(31 C32B 1.684(12) . ?
C32A C33A 1.529(12) . ?
C32B C33B 1.525(13) . ?
C(41 C(42 1.531(4) . ?
C(42 C(43 1.511(4) . ?
Sb(1 Cl(2 2.3486(9) . ?
Sb(1 Cl(7 2.3519(8) . ?
Sb(1 Cl(4 2.3557(8) . ?
Sb(1 Cl(6 2.3634(8) . ?
Sb(1 Cl(5 2.3668(8) . ?
Sb(1 Cl(3 2.3677(9) . ?
Cl(8 C(1) 1.768(4) . ?
Cl(9 C(1) 1.749(4) . ?
