#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004937.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2004937
loop_
_publ_author_name
'Jones, P. G.'
'Bubenitschek, P.'
'Heirtzler, F.'
'Hopf, H.'
_publ_section_title
;
(Z)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene and
\m-\h6:\h6-[(Z)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene]-bis[(hexafluoroantimonato-F)silver(I)]
Toluene Dichloromethane (1/1/1)
;
_journal_issue 6
_journal_name_full 'Acta Crystallographica Section C'
_journal_page_first 1380
_journal_page_last 1384
_journal_volume 52
_journal_year 1996
_chemical_formula_iupac
'[Ag2 (Sb F6)2 (C52 H52) ] , C7 H8 , C H2 Cl2'
_chemical_formula_moiety '[Ag2 (C52 H52) (Sb F6)2] , C7 H8 , C H2 Cl2'
_chemical_formula_sum 'C60 H62 Ag2 Cl2 F12 Sb2'
_chemical_formula_weight 1541.24
_chemical_name_systematic
;
{(Z)-2,3-Bis-4'-[2.2.2]paracyclophanyl-but-2-ene}-bis{silver(I)
hexafluoroantimonate toluene dichloromethane (1:1:1)
;
_space_group_IT_number 15
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_Hall '-C 2yc'
_symmetry_space_group_name_H-M 'C 1 2/c 1'
_audit_creation_method SHELXL
_cell_angle_alpha 90.00
_cell_angle_beta 97.06(2)
_cell_angle_gamma 90.00
_cell_formula_units_Z 4
_cell_length_a 17.288(3)
_cell_length_b 12.159(2)
_cell_length_c 27.527(4)
_cell_measurement_reflns_used 52
_cell_measurement_temperature 163(2)
_cell_measurement_theta_max 11.5
_cell_measurement_theta_min 10
_cell_volume 5742.4(16)
_computing_cell_refinement DIF4
_computing_data_collection 'DIF4 (Stoe & Cie, 1988)'
_computing_data_reduction
'REDU4 (Stoe & Cie, 1988) using Siemens LT-2 low temperature attachment'
_computing_molecular_graphics 'XP (Siemens, 1984)'
_computing_publication_material SHELXL93
_computing_structure_refinement 'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution 'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature 163(2)
_diffrn_measurement_device 'Stoe STADI-4'
_diffrn_measurement_method \w/\q-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 0.0171
_diffrn_reflns_av_sigmaI/netI 0.0280
_diffrn_reflns_limit_h_max 20
_diffrn_reflns_limit_h_min 0
_diffrn_reflns_limit_k_max 1
_diffrn_reflns_limit_k_min -14
_diffrn_reflns_limit_l_max 32
_diffrn_reflns_limit_l_min -32
_diffrn_reflns_number 5281
_diffrn_reflns_theta_max 25.09
_diffrn_reflns_theta_min 3.14
_diffrn_standards_decay_% 4
_diffrn_standards_interval_time 60
_diffrn_standards_number 3
_exptl_absorpt_coefficient_mu 1.774
_exptl_absorpt_correction_T_max 0.990
_exptl_absorpt_correction_T_min 0.686
_exptl_absorpt_correction_type '\y-scans (XEMP; Nicolet, 1987)'
_exptl_crystal_colour colourless
_exptl_crystal_density_diffrn 1.783
_exptl_crystal_description prism
_exptl_crystal_F_000 3040
_exptl_crystal_size_max 0.60
_exptl_crystal_size_mid 0.45
_exptl_crystal_size_min 0.20
_refine_diff_density_max 0.963
_refine_diff_density_min -0.997
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_all 1.052
_refine_ls_goodness_of_fit_obs 1.046
_refine_ls_hydrogen_treatment
'Methyl groups treated as rigid, others H atoms riding'
_refine_ls_matrix_type full
_refine_ls_number_parameters 338
_refine_ls_number_reflns 5068
_refine_ls_number_restraints 249
_refine_ls_restrained_S_all 1.073
_refine_ls_restrained_S_obs 1.016
_refine_ls_R_factor_all 0.0523
_refine_ls_R_factor_obs 0.0429
_refine_ls_shift/esd_max -0.009
_refine_ls_shift/esd_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w=1/[\s^2^(Fo^2^)+(0.0431P)^2^+55.1849P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all 0.1131
_refine_ls_wR_factor_obs 0.0994
_reflns_number_observed 4376
_reflns_number_total 5084
_reflns_observed_criterion >2sigma(I)
_[local]_cod_data_source_file ab1325.cif
_[local]_cod_data_source_block III
_[local]_cod_cif_authors_sg_H-M 'C 2/c'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (10
times).
'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (3 times).
Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana
;
_cod_database_code 2004937
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ag 0.0322(2) 0.0286(2) 0.0325(2) -0.0001(2) 0.0006(2) 0.0018(2)
C1 0.032(3) 0.038(3) 0.025(2) 0.001(2) -0.001(2) -0.006(2)
C2 0.033(3) 0.036(3) 0.020(2) 0.004(2) 0.001(2) -0.002(2)
C3 0.030(2) 0.026(2) 0.026(2) -0.004(2) -0.003(2) -0.003(2)
C4 0.022(2) 0.025(2) 0.026(2) -0.005(2) -0.004(2) -0.003(2)
C5 0.024(2) 0.031(3) 0.029(2) -0.003(2) 0.000(2) -0.003(2)
C6 0.025(2) 0.030(3) 0.029(2) -0.009(2) 0.000(2) 0.000(2)
C7 0.034(3) 0.026(3) 0.031(3) -0.001(2) -0.006(2) 0.003(2)
C8 0.034(3) 0.026(2) 0.033(3) 0.000(2) -0.002(2) -0.003(2)
C9 0.039(3) 0.037(3) 0.032(3) -0.013(2) 0.003(2) 0.003(2)
C10 0.036(3) 0.043(3) 0.028(3) -0.002(2) 0.005(2) -0.003(2)
C11 0.035(3) 0.035(3) 0.022(2) -0.005(2) 0.003(2) -0.005(2)
C12 0.037(3) 0.032(3) 0.026(3) -0.002(2) 0.001(2) 0.004(2)
C13 0.029(2) 0.045(3) 0.028(3) 0.002(2) -0.006(2) 0.000(2)
C14 0.043(3) 0.031(3) 0.028(3) -0.009(2) 0.003(2) -0.008(2)
C15 0.051(3) 0.026(3) 0.040(3) -0.003(2) 0.010(3) -0.005(2)
C16 0.037(3) 0.030(3) 0.041(3) 0.005(2) 0.010(2) -0.004(2)
C17 0.046(3) 0.041(3) 0.040(3) -0.013(3) -0.001(3) -0.006(3)
C18 0.036(3) 0.041(3) 0.039(3) -0.014(2) -0.005(2) -0.002(2)
C19 0.029(3) 0.039(3) 0.029(3) -0.007(2) 0.003(2) 0.001(2)
C20 0.028(3) 0.039(3) 0.034(3) 0.003(2) 0.002(2) 0.004(2)
C21 0.027(3) 0.035(3) 0.035(3) 0.002(2) 0.002(2) -0.001(2)
C22 0.033(3) 0.033(3) 0.027(3) -0.002(2) 0.003(2) -0.002(2)
C23 0.050(3) 0.032(3) 0.027(3) -0.003(2) -0.005(2) 0.006(2)
C24 0.047(3) 0.029(3) 0.036(3) -0.009(2) -0.002(2) 0.004(2)
C25 0.032(3) 0.025(2) 0.024(2) -0.001(2) 0.002(2) -0.002(2)
C26 0.052(3) 0.026(3) 0.046(3) -0.006(3) -0.008(3) -0.002(2)
Sb 0.0425(2) 0.0313(2) 0.0315(2) 0.0093(2) 0.0001(2) 0.00717(15)
F1 0.117(4) 0.033(2) 0.057(2) 0.022(2) -0.013(2) -0.006(2)
F2 0.111(4) 0.066(3) 0.037(2) 0.038(3) -0.012(2) 0.010(2)
F3 0.067(3) 0.074(3) 0.087(3) -0.004(2) 0.036(2) -0.002(2)
F4 0.123(4) 0.062(3) 0.053(2) 0.035(3) -0.042(3) -0.008(2)
F5 0.064(3) 0.147(6) 0.183(7) -0.020(4) 0.045(4) 0.042(5)
F6 0.092(3) 0.055(2) 0.044(2) 0.045(2) 0.001(2) -0.004(2)
C99 0.058(7) 0.105(11) 0.131(13) 0.000 0.035(8) 0.000
Cl 0.124(2) 0.087(2) 0.207(4) -0.006(2) 0.080(3) -0.008(2)
loop_
_atom_site_label
_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_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
Ag 0.73437(2) 0.48430(3) 0.377709(14) 0.03136(12) Uani d . 1 . Ag
C1 0.7260(3) 0.4828(5) 0.2319(2) 0.0321(11) Uani d U 1 . C
H1A 0.7341(3) 0.4024(5) 0.2352(2) 0.039 Uiso calc R 1 . H
H1B 0.7436(3) 0.5060(5) 0.2006(2) 0.039 Uiso calc R 1 . H
C2 0.6380(3) 0.5074(4) 0.2301(2) 0.0299(11) Uani d U 1 . C
H2A 0.6285(3) 0.5849(4) 0.2201(2) 0.036 Uiso calc R 1 . H
H2B 0.6090(3) 0.4602(4) 0.2048(2) 0.036 Uiso calc R 1 . H
C3 0.6064(3) 0.4888(4) 0.2783(2) 0.0277(10) Uani d U 1 . C
C4 0.5552(3) 0.5626(4) 0.2965(2) 0.0250(10) Uani d U 1 . C
C5 0.5353(3) 0.5462(4) 0.3438(2) 0.0283(10) Uani d U 1 . C
H5 0.5013(3) 0.5976(4) 0.3563(2) 0.034 Uiso calc R 1 . H
C6 0.5627(3) 0.4587(4) 0.3733(2) 0.0282(10) Uani d U 1 . C
C7 0.6103(3) 0.3818(4) 0.3537(2) 0.0314(11) Uani d U 1 . C
H7 0.6286(3) 0.3191(4) 0.3723(2) 0.038 Uiso calc R 1 . H
C8 0.6311(3) 0.3973(4) 0.3067(2) 0.0310(11) Uani d U 1 . C
H8 0.6631(3) 0.3440(4) 0.2937(2) 0.037 Uiso calc R 1 . H
C9 0.5457(3) 0.4487(5) 0.4258(2) 0.0362(12) Uani d U 1 . C
H9A 0.5764(3) 0.3868(5) 0.4415(2) 0.043 Uiso calc R 1 . H
H9B 0.4899(3) 0.4310(5) 0.4258(2) 0.043 Uiso calc R 1 . H
C10 0.5648(3) 0.5535(5) 0.4563(2) 0.0354(12) Uani d U 1 . C
H10A 0.5230(3) 0.6081(5) 0.4474(2) 0.043 Uiso calc R 1 . H
H10B 0.5647(3) 0.5352(5) 0.4913(2) 0.043 Uiso calc R 1 . H
C11 0.6418(3) 0.6051(4) 0.4496(2) 0.0308(11) Uani d U 1 . C
C12 0.7125(3) 0.5495(4) 0.4614(2) 0.0318(11) Uani d U 1 . C
H12 0.7124(3) 0.4768(4) 0.4740(2) 0.038 Uiso calc R 1 . H
C13 0.7827(3) 0.5996(5) 0.4547(2) 0.0348(12) Uani d U 1 . C
H13 0.8301(3) 0.5604(5) 0.4629(2) 0.042 Uiso calc R 1 . H
C14 0.7848(3) 0.7071(4) 0.4362(2) 0.0343(11) Uani d U 1 . C
C15 0.7150(3) 0.7614(4) 0.4253(2) 0.0384(12) Uani d U 1 . C
H15 0.7150(3) 0.8348(4) 0.4135(2) 0.046 Uiso calc R 1 . H
C16 0.6446(3) 0.7112(4) 0.4311(2) 0.0356(12) Uani d U 1 . C
H16 0.5974(3) 0.7502(4) 0.4223(2) 0.043 Uiso calc R 1 . H
C17 0.8601(3) 0.7620(5) 0.4285(2) 0.0426(13) Uani d U 1 . C
H17A 0.8903(3) 0.7761(5) 0.4609(2) 0.051 Uiso calc R 1 . H
H17B 0.8483(3) 0.8340(5) 0.4126(2) 0.051 Uiso calc R 1 . H
C18 0.9107(3) 0.6961(5) 0.3976(2) 0.0398(13) Uani d U 1 . C
H18A 0.9504(3) 0.7456(5) 0.3864(2) 0.048 Uiso calc R 1 . H
H18B 0.9385(3) 0.6385(5) 0.4183(2) 0.048 Uiso calc R 1 . H
C19 0.8661(3) 0.6426(5) 0.3537(2) 0.0321(11) Uani d U 1 . C
C20 0.8651(3) 0.5291(5) 0.3486(2) 0.0339(11) Uani d U 1 . C
H20 0.8954(3) 0.4854(5) 0.3724(2) 0.041 Uiso calc R 1 . H
C21 0.8209(3) 0.4778(5) 0.3094(2) 0.0326(11) Uani d U 1 . C
H21 0.8212(3) 0.3998(5) 0.3071(2) 0.039 Uiso calc R 1 . H
C22 0.7758(3) 0.5395(4) 0.2734(2) 0.0311(11) Uani d U 1 . C
C23 0.7774(3) 0.6532(4) 0.2784(2) 0.0372(12) Uani d U 1 . C
H23 0.7477(3) 0.6974(4) 0.2545(2) 0.045 Uiso calc R 1 . H
C24 0.8220(3) 0.7032(5) 0.3178(2) 0.0380(13) Uani d U 1 . C
H24 0.8221(3) 0.7811(5) 0.3201(2) 0.046 Uiso calc R 1 . H
C25 0.5256(3) 0.6648(4) 0.2702(2) 0.0274(10) Uani d U 1 . C
C26 0.5561(4) 0.7696(4) 0.2950(2) 0.0425(14) Uani d U 1 . C
H26A 0.6020(14) 0.7529(6) 0.3185(10) 0.051 Uiso calc R 1 . H
H26B 0.5156(8) 0.8026(17) 0.3123(12) 0.051 Uiso calc R 1 . H
H26C 0.571(2) 0.8213(13) 0.2704(3) 0.051 Uiso calc R 1 . H
Sb 0.81721(2) 0.17527(3) 0.405021(13) 0.03546(12) Uani d . 1 . Sb
F1 0.8458(3) 0.0363(3) 0.38503(15) 0.0710(13) Uani d . 1 . F
F2 0.8713(3) 0.1511(3) 0.46660(14) 0.0728(13) Uani d . 1 . F
F3 0.9068(3) 0.2333(4) 0.3842(2) 0.0739(12) Uani d . 1 . F
F4 0.7642(3) 0.2044(4) 0.3436(2) 0.084(2) Uani d . 1 . F
F5 0.7291(3) 0.1191(6) 0.4257(3) 0.129(2) Uani d . 1 . F
F6 0.7918(3) 0.3167(3) 0.42440(14) 0.0642(12) Uani d . 1 . F
C99 0.5000 0.1917(12) 0.2500 0.096(5) Uani d S 1 . C
H99A 0.4631 0.2390(12) 0.2652 0.115 Uiso calc PR 0.50 . H
H99B 0.5369 0.2390(12) 0.2348 0.115 Uiso calc PR 0.50 . H
Cl 0.4462(2) 0.0957(3) 0.2031(2) 0.1346(13) Uani d . 1 . Cl
C91 0.9726(6) 0.4899(8) 0.0284(3) 0.062(4) Uiso d PGU 0.50 -1 C
C92 0.9627(5) 0.5743(7) -0.0059(4) 0.060(4) Uiso d PGU 0.50 -1 C
H92 0.9262(7) 0.6313(9) -0.0025(5) 0.072 Uiso calc PR 0.50 -1 H
C93 1.0063(6) 0.5751(7) -0.0451(3) 0.067(4) Uiso d PGU 0.50 -1 C
H93 0.9995(9) 0.6327(9) -0.0685(4) 0.080 Uiso calc PR 0.50 -1 H
C94 1.0597(5) 0.4916(9) -0.0500(3) 0.060(4) Uiso d PGU 0.50 -1 C
H94 1.0895(8) 0.4922(13) -0.0768(4) 0.072 Uiso calc PR 0.50 -1 H
C95 1.0696(5) 0.4073(7) -0.0157(3) 0.056(3) Uiso d PGU 0.50 -1 C
H95 1.1061(6) 0.3502(9) -0.0191(5) 0.067 Uiso calc PR 0.50 -1 H
C96 1.0260(5) 0.4065(7) 0.0235(3) 0.043(3) Uiso d PGU 0.50 -1 C
H96 1.0328(8) 0.3488(8) 0.0470(4) 0.051 Uiso calc PR 0.50 -1 H
C97 0.9287(13) 0.4965(18) 0.0710(8) 0.091(6) Uiso d PU 0.50 -1 C
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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'
Cl Cl 0.1484 0.1585 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C22 C1 C2 . . 113.8(4) ?
C3 C2 C1 . . 113.8(4) ?
C4 C3 C8 . . 118.4(5) ?
C4 C3 C2 . . 122.1(4) ?
C8 C3 C2 . . 119.5(5) ?
C3 C4 C5 . . 118.8(5) ?
C3 C4 C25 . . 123.7(4) ?
C5 C4 C25 . . 117.3(4) ?
C6 C5 C4 . . 123.2(5) ?
C5 C6 C7 . . 117.5(5) ?
C5 C6 C9 . . 121.8(5) ?
C7 C6 C9 . . 120.6(5) ?
C8 C7 C6 . . 119.9(5) ?
C7 C8 C3 . . 122.0(5) ?
C6 C9 C10 . . 113.7(4) ?
C11 C10 C9 . . 114.3(4) ?
C16 C11 C12 . . 117.7(5) ?
C16 C11 C10 . . 120.2(5) ?
C12 C11 C10 . . 122.0(5) ?
C13 C12 C11 . . 120.6(5) ?
C12 C13 C14 . . 121.1(5) ?
C15 C14 C13 . . 117.6(5) ?
C15 C14 C17 . . 120.6(5) ?
C13 C14 C17 . . 121.7(5) ?
C14 C15 C16 . . 121.5(5) ?
C15 C16 C11 . . 121.4(5) ?
C14 C17 C18 . . 114.4(5) ?
C19 C18 C17 . . 114.0(5) ?
C24 C19 C20 . . 117.3(5) ?
C24 C19 C18 . . 121.9(5) ?
C20 C19 C18 . . 120.8(5) ?
C19 C20 C21 . . 121.6(5) ?
C20 C21 C22 . . 120.8(5) ?
C23 C22 C21 . . 117.5(5) ?
C23 C22 C1 . . 122.1(5) ?
C21 C22 C1 . . 120.4(5) ?
C22 C23 C24 . . 120.9(5) ?
C19 C24 C23 . . 121.9(5) ?
C25 C25 C4 2_655 . 123.8(3) y
C25 C25 C26 2_655 . 122.5(3) y
C4 C25 C26 . . 113.7(4) y
F5 Sb F4 . . 91.0(3) ?
F5 Sb F3 . . 179.6(3) ?
F4 Sb F3 . . 89.1(2) ?
F5 Sb F2 . . 90.1(3) ?
F4 Sb F2 . . 178.1(2) ?
F3 Sb F2 . . 89.8(2) ?
F5 Sb F1 . . 90.9(3) ?
F4 Sb F1 . . 91.3(2) ?
F3 Sb F1 . . 89.5(2) ?
F2 Sb F1 . . 90.2(2) ?
F5 Sb F6 . . 91.2(3) ?
F4 Sb F6 . . 88.7(2) ?
F3 Sb F6 . . 88.4(2) ?
F2 Sb F6 . . 89.7(2) ?
F1 Sb F6 . . 178.0(2) ?
Cl C99 Cl . 2_655 104.0(8) ?
C92 C91 C96 . . 120.0 ?
C92 C91 C97 . . 117.9(11) ?
C96 C91 C97 . . 122.0(11) ?
C91 C92 C93 . . 120.0 ?
C94 C93 C92 . . 120.0 ?
C93 C94 C95 . . 120.0 ?
C94 C95 C96 . . 120.0 ?
C95 C96 C91 . . 120.0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag C7 . 2.498(5) y
Ag C8 . 2.696(5) y
Ag C12 . 2.508(5) y
Ag C13 . 2.593(5) y
Ag C20 . 2.548(5) y
Ag C21 . 2.543(5) y
Ag F6 . 2.545(4) y
C1 C22 . 1.510(7) ?
C1 C2 . 1.546(7) ?
C2 C3 . 1.512(7) ?
C3 C4 . 1.395(7) ?
C3 C8 . 1.397(7) ?
C4 C5 . 1.402(7) ?
C4 C25 . 1.497(7) y
C5 C6 . 1.387(7) ?
C6 C7 . 1.397(7) ?
C6 C9 . 1.513(7) ?
C7 C8 . 1.396(7) ?
C9 C10 . 1.539(7) ?
C10 C11 . 1.505(7) ?
C11 C16 . 1.389(8) ?
C11 C12 . 1.399(7) ?
C12 C13 . 1.391(7) ?
C13 C14 . 1.406(8) ?
C14 C15 . 1.375(8) ?
C14 C17 . 1.500(8) ?
C15 C16 . 1.388(8) ?
C17 C18 . 1.521(8) ?
C18 C19 . 1.499(7) ?
C19 C24 . 1.385(8) ?
C19 C20 . 1.387(8) ?
C20 C21 . 1.391(8) ?
C21 C22 . 1.401(7) ?
C22 C23 . 1.389(7) ?
C23 C24 . 1.390(8) ?
C25 C25 2_655 1.332(10) y
C25 C26 . 1.510(7) y
Sb F5 . 1.822(5) ?
Sb F4 . 1.855(4) ?
Sb F3 . 1.855(4) ?
Sb F2 . 1.856(4) ?
Sb F1 . 1.863(4) ?
Sb F6 . 1.869(3) ?
C99 Cl . 1.896(10) ?
C99 Cl 2_655 1.896(10) ?
C91 C92 . 1.39 ?
C91 C96 . 1.39 ?
C91 C97 . 1.47(2) ?
C92 C93 . 1.39 ?
C93 C94 . 1.39 ?
C94 C95 . 1.39 ?
C95 C96 . 1.39 ?