#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/71/4077117.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_4077117
loop_
_publ_author_name
'Bellabarba, Ronan M.'
'Nieuwenhuyzen, Mark'
'Saunders, Graham C.'
_publ_section_title
;
 Intramolecular Dehydrofluorinative Coupling of
 η5-Pentamethylcyclopentadienyl and Pentafluorophenylphosphine Ligands in
 Rhodium Complexes
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              5726
_journal_paper_doi               10.1021/om020612n
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C35.5 H35 B Cl2 F8 N P2 Rh'
_chemical_formula_weight         874.21
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.1340(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.6204(7)
_cell_length_b                   23.2170(19)
_cell_length_c                   18.0923(15)
_cell_measurement_temperature    153(2)
_cell_volume                     3540.1(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.911
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0559
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            38821
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    0.795
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1764
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.48
_refine_diff_density_max         0.547
_refine_diff_density_min         -0.830
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         8049
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          1.176
_refine_ls_shift/su_mean         0.038
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0472P)²+1.8492P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0866
_reflns_number_gt                7065
_reflns_number_total             8049
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om020612n_2.cif
_cod_data_source_block           gcs23m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C35.50 H35 B Cl2 F8 N P2 Rh'
_cod_database_code               4077117
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Rh1 Rh 0.110777(18) 0.157183(7) 0.747854(9) 0.01808(6) Uani 1 1 d . .
Cl1 Cl 0.34107(6) 0.14241(2) 0.69513(3) 0.02575(12) Uani 1 1 d . .
C1 C -0.1451(3) 0.13541(11) 0.69670(13) 0.0273(5) Uani 1 1 d . .
C2 C -0.0622(3) 0.14717(11) 0.63851(13) 0.0283(5) Uani 1 1 d . .
C3 C -0.0097(3) 0.20644(11) 0.64601(12) 0.0265(5) Uani 1 1 d . .
C4 C -0.0566(3) 0.23082(10) 0.71002(13) 0.0254(5) Uani 1 1 d . .
C5 C -0.1320(2) 0.18573(11) 0.74460(13) 0.0253(5) Uani 1 1 d . .
C6 C -0.2455(3) 0.08459(12) 0.70393(16) 0.0352(6) Uani 1 1 d . .
H6A H -0.3570 0.0964 0.6953 0.053 Uiso 1 1 calc R .
H6B H -0.2133 0.0683 0.7548 0.053 Uiso 1 1 calc R .
H6C H -0.2325 0.0555 0.6665 0.053 Uiso 1 1 calc R .
C7 C -0.0436(3) 0.10929(13) 0.57410(14) 0.0385(6) Uani 1 1 d . .
H7A H -0.1071 0.1247 0.5269 0.058 Uiso 1 1 calc R .
H7B H -0.0799 0.0703 0.5825 0.058 Uiso 1 1 calc R .
H7C H 0.0683 0.1081 0.5707 0.058 Uiso 1 1 calc R .
C8 C 0.0647(3) 0.23736(13) 0.59038(14) 0.0372(6) Uani 1 1 d . .
H8A H -0.0153 0.2445 0.5441 0.056 Uiso 1 1 calc R .
H8B H 0.1505 0.2138 0.5784 0.056 Uiso 1 1 calc R .
H8C H 0.1078 0.2742 0.6119 0.056 Uiso 1 1 calc R .
C9 C -0.0511(3) 0.29270(10) 0.73102(15) 0.0328(5) Uani 1 1 d . .
H9A H -0.1372 0.3133 0.6973 0.049 Uiso 1 1 calc R .
H9B H 0.0511 0.3091 0.7263 0.049 Uiso 1 1 calc R .
H9C H -0.0637 0.2966 0.7834 0.049 Uiso 1 1 calc R .
C10 C -0.2197(3) 0.19475(12) 0.80667(15) 0.0322(5) Uani 1 1 d . .
H10A H -0.3201 0.2145 0.7865 0.048 Uiso 1 1 calc R .
H10B H -0.1551 0.2183 0.8466 0.048 Uiso 1 1 calc R .
H10C H -0.2412 0.1574 0.8276 0.048 Uiso 1 1 calc R .
C11 C 0.4199(3) 0.14622(9) 0.89328(13) 0.0227(4) Uani 1 1 d . .
H11A H 0.5018 0.1403 0.8630 0.027 Uiso 1 1 calc R .
H11B H 0.4738 0.1596 0.9442 0.027 Uiso 1 1 calc R .
C12 C 0.3362(3) 0.08928(10) 0.90042(12) 0.0224(4) Uani 1 1 d . .
H12A H 0.2877 0.0908 0.9454 0.027 Uiso 1 1 calc R .
H12B H 0.4154 0.0578 0.9082 0.027 Uiso 1 1 calc R .
P1 P 0.27972(6) 0.20156(2) 0.84809(3) 0.01927(12) Uani 1 1 d . .
C11A C 0.1927(3) 0.23501(10) 0.92162(13) 0.0240(4) Uani 1 1 d . .
C12A C 0.1601(3) 0.20390(11) 0.98234(14) 0.0335(5) Uani 1 1 d . .
H12C H 0.1868 0.1642 0.9875 0.040 Uiso 1 1 calc R .
C13A C 0.0890(4) 0.23035(14) 1.03521(16) 0.0448(7) Uani 1 1 d . .
H13A H 0.0671 0.2086 1.0763 0.054 Uiso 1 1 calc R .
C14A C 0.0494(3) 0.28807(13) 1.02890(17) 0.0431(7) Uani 1 1 d . .
H14A H -0.0005 0.3059 1.0650 0.052 Uiso 1 1 calc R .
C15A C 0.0834(3) 0.31948(12) 0.96947(16) 0.0388(6) Uani 1 1 d . .
H15A H 0.0576 0.3593 0.9650 0.047 Uiso 1 1 calc R .
C16A C 0.1548(3) 0.29343(11) 0.91624(15) 0.0314(5) Uani 1 1 d . .
H16A H 0.1781 0.3156 0.8758 0.038 Uiso 1 1 calc R .
C11B C 0.4062(3) 0.25896(9) 0.82588(13) 0.0240(5) Uani 1 1 d . .
C12B C 0.5268(3) 0.28072(12) 0.88285(15) 0.0336(6) Uani 1 1 d . .
H12D H 0.5436 0.2649 0.9323 0.040 Uiso 1 1 calc R .
C13B C 0.6222(3) 0.32537(12) 0.86740(18) 0.0410(7) Uani 1 1 d . .
H13B H 0.7050 0.3397 0.9062 0.049 Uiso 1 1 calc R .
C14B C 0.5973(3) 0.34916(11) 0.79554(19) 0.0419(7) Uani 1 1 d . .
H14B H 0.6618 0.3801 0.7853 0.050 Uiso 1 1 calc R .
C15B C 0.4795(3) 0.32795(11) 0.73940(17) 0.0375(6) Uani 1 1 d . .
H15B H 0.4628 0.3442 0.6902 0.045 Uiso 1 1 calc R .
C16B C 0.3837(3) 0.28264(11) 0.75387(14) 0.0297(5) Uani 1 1 d . .
H16B H 0.3030 0.2679 0.7144 0.036 Uiso 1 1 calc R .
P2 P 0.18103(6) 0.07338(2) 0.81620(3) 0.01896(12) Uani 1 1 d . .
C21A C 0.2585(3) 0.01964(9) 0.75910(12) 0.0222(4) Uani 1 1 d . .
C22A C 0.4181(3) 0.00799(10) 0.76405(14) 0.0277(5) Uani 1 1 d . .
F22A F 0.52989(16) 0.03536(7) 0.81282(9) 0.0375(3) Uani 1 1 d . .
C23A C 0.4645(3) -0.03233(11) 0.71708(16) 0.0360(6) Uani 1 1 d . .
F23A F 0.6178(2) -0.04337(8) 0.72358(12) 0.0557(5) Uani 1 1 d . .
N24A N 0.3671(3) -0.06027(10) 0.66414(13) 0.0392(5) Uani 1 1 d . .
C25A C 0.2164(3) -0.04871(11) 0.65686(15) 0.0355(6) Uani 1 1 d . .
F25A F 0.1145(2) -0.07582(8) 0.60151(10) 0.0550(5) Uani 1 1 d . .
C26A C 0.1568(3) -0.01012(11) 0.70201(13) 0.0281(5) Uani 1 1 d . .
F26A F -0.00156(17) -0.00204(7) 0.68960(8) 0.0385(4) Uani 1 1 d . .
C21B C 0.0350(2) 0.03562(10) 0.85710(12) 0.0221(4) Uani 1 1 d . .
C22B C -0.0494(3) 0.06950(11) 0.89837(13) 0.0280(5) Uani 1 1 d . .
H22A H -0.0303 0.1098 0.9020 0.034 Uiso 1 1 calc R .
C23B C -0.1610(3) 0.04543(12) 0.93428(14) 0.0317(5) Uani 1 1 d . .
H23A H -0.2162 0.0688 0.9633 0.038 Uiso 1 1 calc R .
C24B C -0.1910(3) -0.01313(12) 0.92741(14) 0.0346(6) Uani 1 1 d . .
H24A H -0.2694 -0.0299 0.9506 0.041 Uiso 1 1 calc R .
C25B C -0.1074(3) -0.04721(11) 0.88701(14) 0.0341(6) Uani 1 1 d . .
H25A H -0.1289 -0.0873 0.8826 0.041 Uiso 1 1 calc R .
C26B C 0.0078(3) -0.02362(10) 0.85271(13) 0.0284(5) Uani 1 1 d . .
H26A H 0.0676 -0.0476 0.8265 0.034 Uiso 1 1 calc R .
B1 B 0.3950(3) -0.10219(12) 0.90675(16) 0.0298(6) Uani 1 1 d . .
F11 F 0.3027(2) -0.13479(7) 0.94529(10) 0.0460(4) Uani 1 1 d . .
F12 F 0.55071(17) -0.12314(7) 0.92364(9) 0.0388(3) Uani 1 1 d . .
F13 F 0.3941(2) -0.04496(7) 0.92896(10) 0.0447(4) Uani 1 1 d . .
F14 F 0.3355(2) -0.10674(7) 0.82981(8) 0.0428(4) Uani 1 1 d . .
Cl2S Cl 0.3902(4) 0.05364(13) 0.54272(16) 0.1001(8) Uani 0.50 1 d PD 1
C1S C 0.4377(18) -0.0055(7) 0.4825(10) 0.160(10) Uani 0.50 1 d PD 1
H1S1 H 0.4464 -0.0155 0.4303 0.192 Uiso 0.50 1 calc PR 1
H1S2 H 0.3962 -0.0396 0.5048 0.192 Uiso 0.50 1 calc PR 1
Cl1S Cl 0.6377(8) -0.02656(17) 0.5194(3) 0.1381(19) Uani 0.50 1 d PD 1
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Rh Rh -1.1178 0.9187 '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
C5 Rh1 C2 63.17(9) . .
C5 Rh1 C3 62.95(8) . .
C2 Rh1 C3 37.87(9) . .
C5 Rh1 C4 37.94(9) . .
C2 Rh1 C4 62.72(9) . .
C3 Rh1 C4 37.01(8) . .
C5 Rh1 C1 37.87(9) . .
C2 Rh1 C1 36.83(9) . .
C3 Rh1 C1 62.11(9) . .
C4 Rh1 C1 62.45(9) . .
C5 Rh1 P1 109.12(6) . .
C2 Rh1 P1 159.47(7) . .
C3 Rh1 P1 121.72(7) . .
C4 Rh1 P1 99.08(6) . .
C1 Rh1 P1 144.93(6) . .
C5 Rh1 P2 114.25(6) . .
C2 Rh1 P2 115.97(7) . .
C3 Rh1 P2 153.57(7) . .
C4 Rh1 P2 151.63(6) . .
C1 Rh1 P2 98.84(6) . .
P1 Rh1 P2 84.54(2) . .
C5 Rh1 Cl1 154.19(6) . .
C2 Rh1 Cl1 95.00(6) . .
C3 Rh1 Cl1 91.45(6) . .
C4 Rh1 Cl1 121.25(6) . .
C1 Rh1 Cl1 128.46(6) . .
P1 Rh1 Cl1 86.46(2) . .
P2 Rh1 Cl1 86.952(19) . .
C2 C1 C5 107.6(2) . .
C2 C1 C6 127.8(2) . .
C5 C1 C6 124.3(2) . .
C2 C1 Rh1 70.14(13) . .
C5 C1 Rh1 68.14(12) . .
C6 C1 Rh1 132.65(17) . .
C1 C2 C3 108.1(2) . .
C1 C2 C7 128.2(2) . .
C3 C2 C7 123.4(2) . .
C1 C2 Rh1 73.03(13) . .
C3 C2 Rh1 71.28(13) . .
C7 C2 Rh1 126.38(17) . .
C4 C3 C2 108.6(2) . .
C4 C3 C8 126.6(2) . .
C2 C3 C8 124.5(2) . .
C4 C3 Rh1 72.19(12) . .
C2 C3 Rh1 70.84(13) . .
C8 C3 Rh1 127.93(17) . .
C3 C4 C5 107.2(2) . .
C3 C4 C9 126.5(2) . .
C5 C4 C9 125.8(2) . .
C3 C4 Rh1 70.80(12) . .
C5 C4 Rh1 68.60(12) . .
C9 C4 Rh1 132.38(17) . .
C4 C5 C1 108.2(2) . .
C4 C5 C10 124.7(2) . .
C1 C5 C10 125.2(2) . .
C4 C5 Rh1 73.46(12) . .
C1 C5 Rh1 74.00(12) . .
C10 C5 Rh1 130.94(16) . .
C12 C11 P1 111.46(15) . .
C11 C12 P2 112.23(15) . .
C11B P1 C11A 101.88(10) . .
C11B P1 C11 104.01(10) . .
C11A P1 C11 107.78(11) . .
C11B P1 Rh1 117.42(8) . .
C11A P1 Rh1 118.12(7) . .
C11 P1 Rh1 106.53(7) . .
C12A C11A C16A 118.5(2) . .
C12A C11A P1 122.33(18) . .
C16A C11A P1 119.19(18) . .
C13A C12A C11A 120.5(2) . .
C14A C13A C12A 120.7(3) . .
C15A C14A C13A 119.2(2) . .
C14A C15A C16A 120.6(3) . .
C15A C16A C11A 120.5(2) . .
C16B C11B C12B 119.0(2) . .
C16B C11B P1 121.65(18) . .
C12B C11B P1 119.34(19) . .
C13B C12B C11B 120.2(3) . .
C14B C13B C12B 120.3(3) . .
C15B C14B C13B 119.8(2) . .
C14B C15B C16B 120.5(3) . .
C11B C16B C15B 120.2(2) . .
C21B P2 C21A 105.50(10) . .
C21B P2 C12 101.83(10) . .
C21A P2 C12 108.39(10) . .
C21B P2 Rh1 119.83(7) . .
C21A P2 Rh1 110.87(7) . .
C12 P2 Rh1 109.65(7) . .
C22A C21A C26A 114.4(2) . .
C22A C21A P2 124.79(18) . .
C26A C21A P2 120.63(17) . .
F22A C22A C23A 118.1(2) . .
F22A C22A C21A 121.5(2) . .
C23A C22A C21A 120.3(2) . .
N24A C23A F23A 116.4(2) . .
N24A C23A C22A 124.3(2) . .
F23A C23A C22A 119.3(2) . .
C25A N24A C23A 116.4(2) . .
N24A C25A F25A 117.4(2) . .
N24A C25A C26A 124.0(2) . .
F25A C25A C26A 118.6(2) . .
F26A C26A C25A 118.7(2) . .
F26A C26A C21A 120.8(2) . .
C25A C26A C21A 120.4(2) . .
C22B C21B C26B 119.2(2) . .
C22B C21B P2 115.59(17) . .
C26B C21B P2 125.13(18) . .
C23B C22B C21B 121.1(2) . .
C24B C23B C22B 119.3(2) . .
C25B C24B C23B 120.2(2) . .
C24B C25B C26B 120.9(2) . .
C25B C26B C21B 119.3(2) . .
F14 B1 F11 109.5(2) . .
F14 B1 F13 109.9(2) . .
F11 B1 F13 109.7(2) . .
F14 B1 F12 109.2(2) . .
F11 B1 F12 109.0(2) . .
F13 B1 F12 109.4(2) . .
Cl1S Cl2S C1S 29.9(7) 3_656 .
Cl1S Cl2S C1S 61.9(5) 3_656 3_656
C1S Cl2S C1S 34.8(9) . 3_656
Cl1S C1S C1S 113(2) 3_656 3_656
Cl1S C1S Cl1S 143.2(16) 3_656 .
C1S C1S Cl1S 30.7(9) 3_656 .
Cl1S C1S Cl2S 39.9(8) 3_656 .
C1S C1S Cl2S 79.0(13) 3_656 .
Cl1S C1S Cl2S 107.4(8) . .
Cl1S C1S Cl2S 160(2) 3_656 3_656
C1S C1S Cl2S 66.2(10) 3_656 3_656
Cl1S C1S Cl2S 38.8(3) . 3_656
Cl2S C1S Cl2S 145.2(9) . 3_656
C1S Cl1S Cl2S 110.1(14) 3_656 3_656
C1S Cl1S C1S 36.8(16) 3_656 .
Cl2S Cl1S C1S 79.4(5) 3_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C5 2.184(2) .
Rh1 C2 2.225(2) .
Rh1 C3 2.231(2) .
Rh1 C4 2.249(2) .
Rh1 C1 2.263(2) .
Rh1 P1 2.3154(6) .
Rh1 P2 2.3165(6) .
Rh1 Cl1 2.4009(5) .
C1 C2 1.418(3) .
C1 C5 1.445(3) .
C1 C6 1.485(4) .
C2 C3 1.446(4) .
C2 C7 1.495(3) .
C3 C4 1.422(3) .
C3 C8 1.487(3) .
C4 C5 1.443(3) .
C4 C9 1.484(3) .
C5 C10 1.494(3) .
C11 C12 1.524(3) .
C11 P1 1.834(2) .
C12 P2 1.841(2) .
P1 C11B 1.820(2) .
P1 C11A 1.832(2) .
C11A C12A 1.392(3) .
C11A C16A 1.394(3) .
C12A C13A 1.384(4) .
C13A C14A 1.381(4) .
C14A C15A 1.381(4) .
C15A C16A 1.386(3) .
C11B C16B 1.390(3) .
C11B C12B 1.396(3) .
C12B C13B 1.388(4) .
C13B C14B 1.387(4) .
C14B C15B 1.368(4) .
C15B C16B 1.395(3) .
P2 C21B 1.815(2) .
P2 C21A 1.833(2) .
C21A C22A 1.387(3) .
C21A C26A 1.390(3) .
C22A F22A 1.324(3) .
C22A C23A 1.379(3) .
C23A N24A 1.306(4) .
C23A F23A 1.326(3) .
N24A C25A 1.305(4) .
C25A F25A 1.342(3) .
C25A C26A 1.383(3) .
C26A F26A 1.349(3) .
C21B C22B 1.390(3) .
C21B C26B 1.395(3) .
C22B C23B 1.386(3) .
C23B C24B 1.385(4) .
C24B C25B 1.379(4) .
C25B C26B 1.390(3) .
B1 F14 1.383(3) .
B1 F11 1.388(3) .
B1 F13 1.389(3) .
B1 F12 1.399(3) .
Cl2S Cl1S 1.266(6) 3_656
Cl2S C1S 1.851(13) .
Cl2S C1S 1.985(12) 3_656
C1S Cl1S 0.984(13) 3_656
C1S C1S 1.15(3) 3_656
C1S Cl1S 1.781(11) .
C1S Cl2S 1.985(12) 3_656
Cl1S C1S 0.984(13) 3_656
Cl1S Cl2S 1.266(6) 3_656
