#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:14:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179959 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/53/7025355.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_7025355
loop_
_publ_author_name
'Aguado, Javier E.'
'Crespo, Olga'
'Gimeno, M Concepción'
'Jones, Peter G.'
'Laguna, Antonio'
'Villacampa, M. Dolores'
_publ_section_title
;
 Coordination properties of the
 1,1'-bis[((6-methyl)-2-pyridyl)amido]ferrocene ligand towards group 11
 complexes.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4321
_journal_page_last               4330
_journal_paper_doi               10.1039/b927208a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C62 H52 Au2 F6 Fe N4 O8 P2 S2'
_chemical_formula_weight         1670.92
_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                100.608(12)
_cell_angle_beta                 102.036(12)
_cell_angle_gamma                110.857(12)
_cell_formula_units_Z            1
_cell_length_a                   9.494(3)
_cell_length_b                   11.430(4)
_cell_length_c                   16.213(6)
_cell_measurement_reflns_used    4486
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     1542.4(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       '/w-scans & /f-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  0.0743
_diffrn_reflns_av_sigmaI/netI    0.0698
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28783
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    5.172
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.477
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         4.071
_refine_diff_density_min         -4.888
_refine_diff_density_rms         0.264
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    'N-H free, others riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         7642
_refine_ls_number_restraints     579
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0790P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1209
_refine_ls_wR_factor_ref         0.1267
_reflns_number_gt                6126
_reflns_number_total             7642
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b927208a.txt
_cod_data_source_block           magnum
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_database_code               7025355
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au 0.26288(3) 0.26396(2) 0.287822(15) 0.01781(9) Uani 1 1 d . . .
Fe Fe 1.0000 0.5000 0.5000 0.0233(3) Uani 1 2 d S . .
P P 0.23208(19) 0.34902(16) 0.17523(10) 0.0181(3) Uani 1 1 d . . .
O1 O 0.6494(6) 0.4855(5) 0.5732(3) 0.0340(12) Uani 1 1 d U . .
C1 C 0.7987(8) 0.5293(7) 0.4737(4) 0.0259(14) Uani 1 1 d DU . .
C2 C 0.8375(8) 0.4966(7) 0.3947(5) 0.0295(15) Uani 1 1 d DU . .
H2 H 0.7740 0.4236 0.3449 0.035 Uiso 1 1 calc R . .
C3 C 0.9873(8) 0.5925(8) 0.4040(5) 0.0361(17) Uani 1 1 d DU . .
H3 H 1.0422 0.5952 0.3612 0.043 Uiso 1 1 calc R . .
C4 C 1.0430(9) 0.6847(7) 0.4883(5) 0.0364(17) Uani 1 1 d DU . .
H4 H 1.1406 0.7593 0.5115 0.044 Uiso 1 1 calc R . .
C5 C 0.9261(8) 0.6447(7) 0.5312(5) 0.0322(15) Uani 1 1 d DU . .
H5 H 0.9320 0.6878 0.5887 0.039 Uiso 1 1 calc R . .
C6 C 0.6641(8) 0.4515(7) 0.5008(5) 0.0266(14) Uani 1 1 d U . .
N2 N 0.5545(6) 0.3376(6) 0.4385(4) 0.0247(12) Uani 1 1 d DU . .
H02 H 0.571(9) 0.309(7) 0.389(3) 0.03(2) Uiso 1 1 d D . .
N11 N 0.2949(6) 0.1844(5) 0.3942(3) 0.0164(10) Uani 1 1 d DU . .
C12 C 0.4342(8) 0.2436(6) 0.4568(4) 0.0218(12) Uani 1 1 d DU . .
C13 C 0.4592(10) 0.2082(8) 0.5347(5) 0.0381(18) Uani 1 1 d DU . .
H13 H 0.5579 0.2523 0.5794 0.046 Uiso 1 1 calc R . .
C14 C 0.3374(12) 0.1080(8) 0.5449(5) 0.046(2) Uani 1 1 d DU . .
H14 H 0.3501 0.0834 0.5979 0.056 Uiso 1 1 calc R . .
C15 C 0.1969(11) 0.0432(7) 0.4786(5) 0.0369(17) Uani 1 1 d DU . .
H15 H 0.1148 -0.0292 0.4844 0.044 Uiso 1 1 calc R . .
C16 C 0.1750(9) 0.0832(6) 0.4033(4) 0.0261(14) Uani 1 1 d DU . .
C17 C 0.0250(9) 0.0183(8) 0.3303(5) 0.0358(18) Uani 1 1 d U . .
H17A H -0.0223 0.0807 0.3232 0.043 Uiso 1 1 calc R . .
H17B H -0.0481 -0.0558 0.3438 0.043 Uiso 1 1 calc R . .
H17C H 0.0464 -0.0128 0.2758 0.043 Uiso 1 1 calc R . .
C21 C 0.0706(8) 0.3992(6) 0.1612(4) 0.0228(13) Uani 1 1 d DU . .
C22 C 0.0829(10) 0.5166(8) 0.1453(5) 0.0395(19) Uani 1 1 d DU . .
H22 H 0.1811 0.5766 0.1436 0.047 Uiso 1 1 calc R . .
C23 C -0.0480(11) 0.5479(9) 0.1316(7) 0.057(3) Uani 1 1 d DU . .
H23 H -0.0391 0.6292 0.1216 0.068 Uiso 1 1 calc R . .
C24 C -0.1901(10) 0.4591(8) 0.1329(6) 0.045(2) Uani 1 1 d DU . .
H24 H -0.2807 0.4780 0.1213 0.055 Uiso 1 1 calc R . .
C25 C -0.2024(9) 0.3456(9) 0.1504(6) 0.044(2) Uani 1 1 d DU . .
H25 H -0.3011 0.2862 0.1519 0.053 Uiso 1 1 calc R . .
C26 C -0.0717(8) 0.3148(8) 0.1663(5) 0.0335(16) Uani 1 1 d DU . .
H26 H -0.0804 0.2361 0.1806 0.040 Uiso 1 1 calc R . .
C31 C 0.1962(7) 0.2315(6) 0.0729(4) 0.0197(12) Uani 1 1 d DU . .
C32 C 0.0681(8) 0.1949(7) -0.0006(4) 0.0273(14) Uani 1 1 d DU . .
H32 H -0.0082 0.2302 0.0013 0.033 Uiso 1 1 calc R . .
C33 C 0.0519(9) 0.1063(7) -0.0769(4) 0.0323(16) Uani 1 1 d DU . .
H33 H -0.0372 0.0800 -0.1267 0.039 Uiso 1 1 calc R . .
C34 C 0.1620(8) 0.0566(7) -0.0814(5) 0.0319(15) Uani 1 1 d DU . .
H34 H 0.1501 -0.0026 -0.1345 0.038 Uiso 1 1 calc R . .
C35 C 0.2910(9) 0.0923(7) -0.0088(5) 0.0313(15) Uani 1 1 d DU . .
H35 H 0.3675 0.0574 -0.0116 0.038 Uiso 1 1 calc R . .
C36 C 0.3072(8) 0.1793(7) 0.0678(4) 0.0267(14) Uani 1 1 d DU . .
H36 H 0.3955 0.2039 0.1177 0.032 Uiso 1 1 calc R . .
C41 C 0.4063(7) 0.4897(6) 0.1828(4) 0.0210(13) Uani 1 1 d DU . .
C42 C 0.5212(7) 0.5555(6) 0.2625(4) 0.0247(14) Uani 1 1 d DU . .
H42 H 0.5105 0.5261 0.3129 0.030 Uiso 1 1 calc R . .
C43 C 0.6532(9) 0.6656(7) 0.2686(5) 0.0321(16) Uani 1 1 d DU . .
H43 H 0.7331 0.7112 0.3233 0.038 Uiso 1 1 calc R . .
C44 C 0.6686(9) 0.7089(7) 0.1951(4) 0.0338(16) Uani 1 1 d DU . .
H44 H 0.7583 0.7845 0.1997 0.041 Uiso 1 1 calc R . .
C45 C 0.5534(8) 0.6421(6) 0.1153(4) 0.0291(15) Uani 1 1 d DU . .
H45 H 0.5633 0.6718 0.0649 0.035 Uiso 1 1 calc R . .
C46 C 0.4229(8) 0.5313(6) 0.1088(4) 0.0247(14) Uani 1 1 d DU . .
H46 H 0.3448 0.4839 0.0536 0.030 Uiso 1 1 calc R . .
S S 0.5937(11) 1.0881(11) 0.2559(6) 0.0279(15) Uani 0.544(13) 1 d PDU A 1
O2 O 0.568(2) 1.2065(15) 0.2728(10) 0.022(3) Uani 0.544(13) 1 d PDU A 1
O3 O 0.611(2) 1.0530(13) 0.1673(8) 0.071(5) Uani 0.544(13) 1 d PDU A 1
O4 O 0.7064(15) 1.0766(12) 0.3223(9) 0.063(4) Uani 0.544(13) 1 d PDU A 1
C99 C 0.4174(16) 0.9458(14) 0.2227(9) 0.043(5) Uani 0.544(13) 1 d PDU A 1
F1 F 0.433(3) 0.8387(18) 0.2309(15) 0.073(10) Uani 0.544(13) 1 d PDU A 1
F2 F 0.3045(15) 0.9544(12) 0.2552(12) 0.068(5) Uani 0.544(13) 1 d PDU A 1
F3 F 0.365(2) 0.9317(13) 0.1364(7) 0.089(5) Uani 0.544(13) 1 d PDU A 1
S' S 0.5975(15) 1.0902(15) 0.2746(8) 0.044(3) Uani 0.456(13) 1 d PDU A 2
O2' O 0.7068(18) 1.0782(15) 0.2277(13) 0.064(5) Uani 0.456(13) 1 d PDU A 2
O3' O 0.534(2) 1.1844(19) 0.2601(15) 0.028(5) Uani 0.456(13) 1 d PDU A 2
O4' O 0.6383(19) 1.0942(13) 0.3658(8) 0.053(4) Uani 0.456(13) 1 d PDU A 2
C99' C 0.4184(18) 0.9513(17) 0.2496(12) 0.053(6) Uani 0.456(13) 1 d PDU A 2
F1' F 0.436(3) 0.8402(19) 0.2336(15) 0.049(9) Uani 0.456(13) 1 d PDU A 2
F2' F 0.385(2) 0.9585(13) 0.3262(13) 0.076(6) Uani 0.456(13) 1 d PDU A 2
F3' F 0.294(2) 0.9412(19) 0.1917(17) 0.100(9) Uani 0.456(13) 1 d PDU A 2
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'
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'
S S 0.1246 0.1234 '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'
Au Au -2.0133 8.8022 '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
N11 Au P 179.31(14) . . y
C1 Fe C1 180.000(2) 2_766 . ?
C1 Fe C2 138.9(3) 2_766 . ?
C1 Fe C2 41.1(3) . . ?
C1 Fe C2 41.1(3) 2_766 2_766 ?
C1 Fe C2 138.9(3) . 2_766 ?
C2 Fe C2 180.000(2) . 2_766 ?
C1 Fe C5 139.1(3) 2_766 . ?
C1 Fe C5 40.9(2) . . ?
C2 Fe C5 68.9(3) . . ?
C2 Fe C5 111.1(3) 2_766 . ?
C1 Fe C5 40.9(2) 2_766 2_766 ?
C1 Fe C5 139.1(3) . 2_766 ?
C2 Fe C5 111.1(3) . 2_766 ?
C2 Fe C5 68.9(3) 2_766 2_766 ?
C5 Fe C5 180.000(2) . 2_766 ?
C1 Fe C3 111.7(3) 2_766 . ?
C1 Fe C3 68.3(3) . . ?
C2 Fe C3 40.5(3) . . ?
C2 Fe C3 139.5(3) 2_766 . ?
C5 Fe C3 68.3(3) . . ?
C5 Fe C3 111.7(3) 2_766 . ?
C1 Fe C3 68.3(3) 2_766 2_766 ?
C1 Fe C3 111.7(3) . 2_766 ?
C2 Fe C3 139.5(3) . 2_766 ?
C2 Fe C3 40.5(3) 2_766 2_766 ?
C5 Fe C3 111.7(3) . 2_766 ?
C5 Fe C3 68.3(3) 2_766 2_766 ?
C3 Fe C3 180.000(2) . 2_766 ?
C1 Fe C4 68.4(3) 2_766 2_766 ?
C1 Fe C4 111.6(3) . 2_766 ?
C2 Fe C4 111.4(3) . 2_766 ?
C2 Fe C4 68.6(3) 2_766 2_766 ?
C5 Fe C4 139.6(3) . 2_766 ?
C5 Fe C4 40.4(3) 2_766 2_766 ?
C3 Fe C4 139.3(3) . 2_766 ?
C3 Fe C4 40.7(3) 2_766 2_766 ?
C1 Fe C4 111.6(3) 2_766 . ?
C1 Fe C4 68.4(3) . . ?
C2 Fe C4 68.6(3) . . ?
C2 Fe C4 111.4(3) 2_766 . ?
C5 Fe C4 40.4(3) . . ?
C5 Fe C4 139.6(3) 2_766 . ?
C3 Fe C4 40.7(3) . . ?
C3 Fe C4 139.3(3) 2_766 . ?
C4 Fe C4 180.000(2) 2_766 . ?
C21 P C41 106.5(3) . . ?
C21 P C31 107.1(3) . . ?
C41 P C31 104.8(3) . . ?
C21 P Au 114.1(2) . . y
C41 P Au 113.4(2) . . y
C31 P Au 110.4(2) . . y
C5 C1 C2 108.0(6) . . ?
C5 C1 C6 123.0(6) . . ?
C2 C1 C6 128.4(6) . . ?
C5 C1 Fe 69.9(4) . . ?
C2 C1 Fe 69.6(4) . . ?
C6 C1 Fe 119.3(5) . . ?
C3 C2 C1 107.5(6) . . ?
C3 C2 Fe 70.2(4) . . ?
C1 C2 Fe 69.3(4) . . ?
C2 C3 C4 108.8(6) . . ?
C2 C3 Fe 69.4(4) . . ?
C4 C3 Fe 70.1(4) . . ?
C5 C4 C3 107.5(6) . . ?
C5 C4 Fe 69.1(4) . . ?
C3 C4 Fe 69.2(4) . . ?
C4 C5 C1 108.2(6) . . ?
C4 C5 Fe 70.5(4) . . ?
C1 C5 Fe 69.2(4) . . ?
O1 C6 N2 121.7(7) . . ?
O1 C6 C1 122.5(6) . . ?
N2 C6 C1 115.8(6) . . ?
C6 N2 C12 123.4(6) . . ?
C12 N11 C16 120.5(5) . . ?
C12 N11 Au 117.6(4) . . y
C16 N11 Au 121.7(4) . . y
N11 C12 N2 116.7(5) . . ?
N11 C12 C13 121.5(7) . . ?
N2 C12 C13 121.8(6) . . ?
C14 C13 C12 118.1(7) . . ?
C13 C14 C15 120.1(7) . . ?
C14 C15 C16 120.1(7) . . ?
N11 C16 C15 119.6(7) . . ?
N11 C16 C17 118.0(6) . . ?
C15 C16 C17 122.4(7) . . ?
C26 C21 C22 119.1(7) . . ?
C26 C21 P 117.8(5) . . ?
C22 C21 P 123.2(5) . . ?
C21 C22 C23 120.5(7) . . ?
C24 C23 C22 119.0(8) . . ?
C25 C24 C23 120.9(8) . . ?
C24 C25 C26 120.6(8) . . ?
C21 C26 C25 119.8(7) . . ?
C32 C31 C36 118.8(6) . . ?
C32 C31 P 123.7(5) . . ?
C36 C31 P 117.5(4) . . ?
C31 C32 C33 119.8(7) . . ?
C34 C33 C32 121.0(6) . . ?
C33 C34 C35 120.1(7) . . ?
C36 C35 C34 119.3(7) . . ?
C35 C36 C31 121.1(6) . . ?
C42 C41 C46 120.3(6) . . ?
C42 C41 P 119.5(5) . . ?
C46 C41 P 120.1(5) . . ?
C41 C42 C43 119.4(6) . . ?
C44 C43 C42 120.4(6) . . ?
C45 C44 C43 119.9(7) . . ?
C44 C45 C46 119.8(6) . . ?
C41 C46 C45 120.1(6) . . ?
O4 S O2 117.5(9) . . ?
O4 S O3 113.4(9) . . ?
O2 S O3 111.8(8) . . ?
O4 S C99 109.1(9) . . ?
O2 S C99 112.8(10) . . ?
O3 S C99 88.8(9) . . ?
F1 C99 F2 108.5(12) . . ?
F1 C99 F3 107.4(12) . . ?
F2 C99 F3 105.7(11) . . ?
F1 C99 S 116.0(14) . . ?
F2 C99 S 116.1(11) . . ?
F3 C99 S 101.9(11) . . ?
O4' S' O2' 117.2(14) . . ?
O4' S' O3' 111.5(13) . . ?
O2' S' O3' 116.3(13) . . ?
O4' S' C99' 92.1(10) . . ?
O2' S' C99' 116.9(12) . . ?
O3' S' C99' 99.1(12) . . ?
F3' C99' F1' 110.1(16) . . ?
F3' C99' F2' 106.5(18) . . ?
F1' C99' F2' 102.9(14) . . ?
F3' C99' S' 119.1(14) . . ?
F1' C99' S' 112.9(14) . . ?
F2' C99' S' 103.6(11) . . ?
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
Au N11 2.110(5) . y
Au P 2.2353(17) . y
Fe C1 2.029(6) 2_766 ?
Fe C1 2.029(6) . ?
Fe C2 2.033(7) . ?
Fe C2 2.033(7) 2_766 ?
Fe C5 2.037(7) . ?
Fe C5 2.037(7) 2_766 ?
Fe C3 2.043(7) . ?
Fe C3 2.043(7) 2_766 ?
Fe C4 2.056(8) 2_766 ?
Fe C4 2.056(8) . ?
P C21 1.805(7) . ?
P C41 1.812(6) . ?
P C31 1.814(7) . ?
O1 C6 1.220(8) . ?
C1 C5 1.420(9) . ?
C1 C2 1.427(9) . ?
C1 C6 1.478(10) . ?
C2 C3 1.410(9) . ?
C3 C4 1.425(12) . ?
C4 C5 1.415(10) . ?
C6 N2 1.382(9) . ?
N2 C12 1.389(9) . ?
N11 C12 1.336(8) . ?
N11 C16 1.360(8) . ?
C12 C13 1.395(9) . ?
C13 C14 1.373(12) . ?
C14 C15 1.374(12) . ?
C15 C16 1.381(10) . ?
C16 C17 1.483(10) . ?
C21 C26 1.382(9) . ?
C21 C22 1.382(9) . ?
C22 C23 1.397(10) . ?
C23 C24 1.376(10) . ?
C24 C25 1.348(10) . ?
C25 C26 1.393(10) . ?
C31 C32 1.386(8) . ?
C31 C36 1.393(8) . ?
C32 C33 1.388(9) . ?
C33 C34 1.364(9) . ?
C34 C35 1.385(9) . ?
C35 C36 1.382(9) . ?
C41 C42 1.377(8) . ?
C41 C46 1.387(8) . ?
C42 C43 1.395(9) . ?
C43 C44 1.387(9) . ?
C44 C45 1.381(9) . ?
C45 C46 1.389(9) . ?
S O4 1.411(10) . ?
S O2 1.449(10) . ?
S O3 1.478(11) . ?
S C99 1.760(13) . ?
C99 F1 1.309(12) . ?
C99 F2 1.315(12) . ?
C99 F3 1.342(13) . ?
S' O4' 1.435(12) . ?
S' O2' 1.436(12) . ?
S' O3' 1.438(12) . ?
S' C99' 1.769(15) . ?
C99' F3' 1.300(13) . ?
C99' F1' 1.326(13) . ?
C99' F2' 1.340(14) . ?
