#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:29:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179380 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/77/4327712.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_4327712
loop_
_publ_author_name
'Elena Cerrada'
'Peter G. Jones'
'Antonio Laguna'
'Mariano Laguna'
_publ_contact_author
;
      For X-ray structures:
      Jones, Peter G.
      Institut für Analytische und Anorganische Chemie
      Technische Universität Braunschweig
      Postfach 3329
      38023 Braunschweig
      Germany
;
_publ_contact_author_email       p.jones@tu-bs.de
_publ_contact_author_fax         '049 531 391-5387'
_publ_contact_author_phone       '049 531 391-5382'
_publ_section_title
;
 Synthesis and Reactivity of Heteroleptic Complexes of Gold with
 2-Thioxo-1,3-dithiole-4,5-dithiolate (dmit). X-ray Structure of
 [Au₂(μ-dmit)(PPh₃)₂], NBu₄[Au(dmit)(PPh₃)] and
 PPN[Au(dmit)(C₆F₅)₂]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2995
_journal_page_last               3000
_journal_paper_doi               10.1021/ic950893+
_journal_volume                  35
_journal_year                    1996
_chemical_formula_sum            'C51 H30 Au F10 N P2 S5'
_chemical_formula_weight         1265.97
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 110.71(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.911(3)
_cell_length_b                   34.194(7)
_cell_length_c                   11.657(3)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    178.0(20)
_cell_measurement_theta_max      11
_cell_measurement_theta_min      10
_cell_volume                     4814(2)
_computing_cell_refinement       'Siemens P3'
_computing_data_collection       'Siemens P3'
_computing_data_reduction        'Soemens XDISK'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-92
_computing_structure_refinement  SHELXL-92
_computing_structure_solution    SHELXS-92
_diffrn_ambient_temperature      178.0(20)
_diffrn_measurement_device       'Siemens R3'
_diffrn_measurement_method       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  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9221
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         3.03
_diffrn_standards_interval_count 197
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.417
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_type   Psi-scans
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_F_000             2488
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.476
_refine_diff_density_min         -0.617
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.019
_refine_ls_goodness_of_fit_obs   1.009
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         8502
_refine_ls_number_restraints     541
_refine_ls_restrained_S_all      1.008
_refine_ls_restrained_S_obs      0.977
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_obs          0.0338
_refine_ls_shift/esd_max         0.004
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0373P)²+6.1217P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0870
_refine_ls_wR_factor_obs         0.0723
_reflns_number_observed          6303
_reflns_number_total             8507
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9508932B_3.cif
_cod_data_source_block           nacer
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0373P)^2^+6.1217P] 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^)+(0.0373P)^2^+6.1217P] 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        4813.8(19)
_cod_database_code               4327712
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Au Au 0.30084(2) 0.575020(6) 0.15695(2) 0.02745(11) Uani 1 d .
S1 S 0.35792(12) 0.63977(4) 0.18887(12) 0.0320(8) Uani 1 d D
S2 S 0.26275(13) 0.58046(4) -0.05274(12) 0.0371(10) Uani 1 d D
S3 S 0.36632(12) 0.70145(4) 0.00875(13) 0.0338(9) Uani 1 d D
S4 S 0.28745(14) 0.65037(4) -0.19986(13) 0.0382(10) Uani 1 d D
S5 S 0.34705(14) 0.73286(4) -0.23665(14) 0.0429(11) Uani 1 d U
C1 C 0.3368(4) 0.6533(2) 0.0377(5) 0.030(3) Uani 1 d DU
C2 C 0.2998(4) 0.6295(2) -0.0596(5) 0.030(3) Uani 1 d DU
C3 C 0.3332(4) 0.6972(2) -0.1482(5) 0.033(3) Uani 1 d DU
C11 C 0.2532(5) 0.5172(2) 0.1306(5) 0.033(2) Uani 1 d U
C12 C 0.1512(5) 0.5050(2) 0.1293(5) 0.035(2) Uani 1 d U
C13 C 0.1155(5) 0.4669(2) 0.1037(5) 0.040(2) Uani 1 d U
C14 C 0.1827(5) 0.4402(2) 0.0792(5) 0.039(2) Uani 1 d U
C15 C 0.2872(5) 0.4507(2) 0.0841(5) 0.037(2) Uani 1 d U
C16 C 0.3199(5) 0.4890(2) 0.1096(5) 0.035(2) Uani 1 d U
F1 F 0.0816(3) 0.53067(10) 0.1527(3) 0.044(2) Uani 1 d U
F2 F 0.0151(3) 0.45613(10) 0.1039(3) 0.050(2) Uani 1 d U
F3 F 0.1485(3) 0.40272(10) 0.0493(3) 0.053(3) Uani 1 d U
F4 F 0.3544(3) 0.42384(10) 0.0626(3) 0.052(3) Uani 1 d U
F5 F 0.4220(3) 0.49828(10) 0.1102(3) 0.044(2) Uani 1 d U
C21 C 0.3308(3) 0.56965(13) 0.3418(5) 0.027(2) Uani 1 d DU
C22 C 0.4297(4) 0.55562(14) 0.4225(4) 0.029(2) Uani 1 d DU
C23 C 0.4511(4) 0.55137(15) 0.5465(4) 0.032(2) Uani 1 d DU
C24 C 0.3722(3) 0.56230(14) 0.5945(5) 0.030(2) Uani 1 d DU
C25 C 0.2723(4) 0.57630(14) 0.5167(4) 0.028(2) Uani 1 d DU
C26 C 0.2530(4) 0.57945(14) 0.3929(4) 0.027(2) Uani 1 d DU
F6 F 0.5112(2) 0.54486(10) 0.3816(3) 0.040(2) Uani 1 d DU
F7 F 0.5500(3) 0.53815(10) 0.6224(3) 0.044(2) Uani 1 d DU
F8 F 0.3920(3) 0.55928(10) 0.7146(3) 0.049(2) Uani 1 d DU
F9 F 0.1942(3) 0.58643(10) 0.5626(3) 0.047(2) Uani 1 d DU
F10 F 0.1531(2) 0.59296(9) 0.3213(3) 0.040(2) Uani 1 d DU
P1 P 0.82547(11) 0.65402(4) 0.32329(12) 0.0229(7) Uani 1 d U
P2 P 0.81151(11) 0.64248(4) 0.56923(12) 0.0219(7) Uani 1 d U
N N 0.8058(4) 0.66377(12) 0.4462(4) 0.026(2) Uani 1 d U
C31 C 0.9663(4) 0.66501(14) 0.3372(4) 0.027(2) Uani 1 d DU
C32 C 1.0410(4) 0.67592(15) 0.4512(5) 0.032(2) Uani 1 d DU
H32 H 1.0203(4) 0.67451(15) 0.5224(5) 0.039 Uiso 1 calc R
C33 C 1.1465(4) 0.6890(2) 0.4617(5) 0.039(2) Uani 1 d DU
H33 H 1.1982(4) 0.6968(2) 0.5401(5) 0.047 Uiso 1 calc R
C34 C 1.1763(5) 0.6905(2) 0.3596(4) 0.039(2) Uani 1 d DU
H34 H 1.2487(5) 0.6997(2) 0.3672(4) 0.047 Uiso 1 calc R
C35 C 1.1033(4) 0.6791(2) 0.2467(5) 0.038(2) Uani 1 d DU
H35 H 1.1256(4) 0.6800(2) 0.1764(5) 0.046 Uiso 1 calc R
C36 C 0.9974(4) 0.66632(15) 0.2336(5) 0.032(2) Uani 1 d DU
H36 H 0.9464(4) 0.65851(15) 0.1548(5) 0.039 Uiso 1 calc R
C41 C 0.7388(4) 0.68623(14) 0.2068(4) 0.026(3) Uani 1 d DU
C42 C 0.7130(5) 0.6777(2) 0.0835(5) 0.037(4) Uani 1 d DU
H42 H 0.7359(5) 0.6533(2) 0.0597(5) 0.045 Uiso 1 calc R
C43 C 0.6544(5) 0.7042(2) -0.0058(5) 0.042(4) Uani 1 d DU
H43 H 0.6374(5) 0.6984(2) -0.0910(5) 0.050 Uiso 1 calc R
C44 C 0.6207(5) 0.7390(2) 0.0290(5) 0.041(3) Uani 1 d DU
H44 H 0.5793(5) 0.7573(2) -0.0327(5) 0.049 Uiso 1 calc R
C45 C 0.6457(5) 0.74802(15) 0.1510(5) 0.036(3) Uani 1 d DU
H45 H 0.6223(5) 0.77249(15) 0.1742(5) 0.043 Uiso 1 calc R
C46 C 0.7048(4) 0.72147(14) 0.2403(5) 0.032(3) Uani 1 d DU
H46 H 0.7221(4) 0.72755(14) 0.3254(5) 0.038 Uiso 1 calc R
C51 C 0.7907(4) 0.60469(15) 0.2698(5) 0.029(2) Uani 1 d DU
C52 C 0.8694(4) 0.57813(14) 0.2614(5) 0.033(2) Uani 1 d DU
H52 H 0.9450(4) 0.58607(14) 0.2810(5) 0.040 Uiso 1 calc R
C53 C 0.8373(5) 0.53988(14) 0.2242(5) 0.037(2) Uani 1 d DU
H53 H 0.8907(5) 0.52154(14) 0.2164(5) 0.044 Uiso 1 calc R
C54 C 0.7290(4) 0.5283(2) 0.1986(5) 0.038(2) Uani 1 d DU
H54 H 0.7080(4) 0.5017(2) 0.1757(5) 0.046 Uiso 1 calc R
C55 C 0.6514(5) 0.5546(2) 0.2057(5) 0.041(2) Uani 1 d DU
H55 H 0.5760(5) 0.5464(2) 0.1864(5) 0.049 Uiso 1 calc R
C56 C 0.6807(5) 0.59321(15) 0.2407(5) 0.036(2) Uani 1 d DU
H56 H 0.6259(5) 0.61163(15) 0.2447(5) 0.043 Uiso 1 calc R
C61 C 0.9097(4) 0.66625(12) 0.7002(4) 0.024(3) Uani 1 d DU
C62 C 0.9178(4) 0.70699(14) 0.6988(5) 0.035(3) Uani 1 d DU
H62 H 0.8742(4) 0.72148(14) 0.6275(5) 0.042 Uiso 1 calc R
C63 C 0.9886(5) 0.7264(2) 0.8002(5) 0.045(4) Uani 1 d DU
H63 H 0.9944(5) 0.7543(2) 0.7985(5) 0.054 Uiso 1 calc R
C64 C 1.0511(5) 0.70608(14) 0.9040(5) 0.042(3) Uani 1 d DU
H64 H 1.0994(5) 0.71983(14) 0.9744(5) 0.050 Uiso 1 calc R
C65 C 1.0433(4) 0.66562(15) 0.9055(4) 0.034(3) Uani 1 d DU
H65 H 1.0874(4) 0.65127(15) 0.9769(4) 0.041 Uiso 1 calc R
C66 C 0.9727(4) 0.64591(15) 0.8050(4) 0.029(3) Uani 1 d DU
H66 H 0.9670(4) 0.61795(15) 0.8074(4) 0.035 Uiso 1 calc R
C71 C 0.6786(4) 0.64665(14) 0.5856(4) 0.026(2) Uani 1 d DU
C72 C 0.6662(4) 0.63843(14) 0.6966(4) 0.028(2) Uani 1 d DU
H72 H 0.7290(4) 0.63013(14) 0.7654(4) 0.034 Uiso 1 calc R
C73 C 0.5633(4) 0.6421(2) 0.7087(5) 0.032(2) Uani 1 d DU
H73 H 0.5551(4) 0.6362(2) 0.7855(5) 0.038 Uiso 1 calc R
C74 C 0.4728(4) 0.6544(2) 0.6100(4) 0.033(2) Uani 1 d DU
H74 H 0.4020(4) 0.6575(2) 0.6185(4) 0.040 Uiso 1 calc R
C75 C 0.4850(4) 0.6620(2) 0.4995(5) 0.037(2) Uani 1 d DU
H75 H 0.4218(4) 0.6700(2) 0.4307(5) 0.044 Uiso 1 calc R
C76 C 0.5870(4) 0.6582(2) 0.4862(4) 0.031(2) Uani 1 d DU
H76 H 0.5944(4) 0.6635(2) 0.4086(4) 0.037 Uiso 1 calc R
C81 C 0.8480(3) 0.59182(15) 0.5791(5) 0.026(2) Uani 1 d DU
C82 C 0.7675(4) 0.56302(14) 0.5654(5) 0.032(2) Uani 1 d DU
H82 H 0.6925(4) 0.57040(14) 0.5525(5) 0.038 Uiso 1 calc R
C83 C 0.7963(4) 0.52372(14) 0.5705(5) 0.037(2) Uani 1 d DU
H83 H 0.7412(4) 0.50387(14) 0.5602(5) 0.044 Uiso 1 calc R
C84 C 0.9043(4) 0.5134(2) 0.5903(5) 0.032(2) Uani 1 d DU
H84 H 0.9241(4) 0.4863(2) 0.5955(5) 0.038 Uiso 1 calc R
C85 C 0.9846(4) 0.54124(14) 0.6028(5) 0.032(2) Uani 1 d DU
H85 H 1.0592(4) 0.53346(14) 0.6151(5) 0.038 Uiso 1 calc R
C86 C 0.9571(4) 0.58056(13) 0.5974(5) 0.030(2) Uani 1 d DU
H86 H 1.0128(4) 0.60009(13) 0.6063(5) 0.036 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'
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'
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_publ_flag
C21 Au C11 90.36(19) y
C21 Au S1 89.19(13) y
C11 Au S1 178.91(17) y
C21 Au S2 178.61(11) y
C11 Au S2 88.79(14) y
S1 Au S2 91.68(5) y
C1 S1 Au 99.37(18) y
C2 S2 Au 99.51(18) y
C3 S3 C1 97.80(26) y
C3 S4 C2 98.38(26) y
C2 C1 S3 116.42(41) y
C2 C1 S1 125.13(42) y
S3 C1 S1 118.44(30) y
C1 C2 S4 115.68(41) y
C1 C2 S2 124.29(42) y
S4 C2 S2 120.02(31) y
S5 C3 S3 123.98(33) y
S5 C3 S4 124.28(34) y
S3 C3 S4 111.71(31) y
C16 C11 C12 116.44(53) y
C16 C11 Au 121.83(42) ?
C12 C11 Au 121.70(45) ?
F1 C12 C13 117.49(53) ?
F1 C12 C11 120.31(51) ?
C13 C12 C11 122.20(57) ?
F2 C13 C14 120.33(52) ?
F2 C13 C12 120.30(58) ?
C14 C13 C12 119.36(57) ?
C13 C14 F3 120.88(55) ?
C13 C14 C15 120.50(55) ?
F3 C14 C15 118.62(58) ?
F4 C15 C16 121.31(56) ?
F4 C15 C14 120.14(53) ?
C16 C15 C14 118.54(57) ?
F5 C16 C11 120.45(50) ?
F5 C16 C15 116.66(54) ?
C11 C16 C15 122.87(56) ?
C22 C21 C26 115.54(48) y
C22 C21 Au 122.10(31) ?
C26 C21 Au 122.35(30) ?
F6 C22 C21 120.29(40) ?
F6 C22 C23 116.65(40) ?
C21 C22 C23 123.06(43) ?
F7 C23 C24 119.28(41) ?
F7 C23 C22 120.99(42) ?
C24 C23 C22 119.67(43) ?
F8 C24 C25 120.42(36) ?
F8 C24 C23 120.72(36) ?
C25 C24 C23 118.86(49) ?
F9 C25 C24 119.22(40) ?
F9 C25 C26 120.92(41) ?
C24 C25 C26 119.86(42) ?
F10 C26 C21 120.03(40) ?
F10 C26 C25 117.00(40) ?
C21 C26 C25 122.97(42) ?
N P1 C51 114.37(23) ?
N P1 C41 107.43(21) ?
C51 P1 C41 107.48(22) ?
N P1 C31 110.79(22) ?
C51 P1 C31 110.22(21) ?
C41 P1 C31 106.13(22) ?
N P2 C81 115.41(23) ?
N P2 C71 108.59(21) ?
C81 P2 C71 108.06(21) ?
N P2 C61 110.71(22) ?
C81 P2 C61 107.03(21) ?
C71 P2 C61 106.68(22) ?
P1 N P2 138.90(28) ?
C32 C31 C36 120.15(50) ?
C32 C31 P1 118.55(36) ?
C36 C31 P1 121.00(36) ?
C31 C32 C33 119.70(47) ?
C34 C33 C32 119.94(49) ?
C33 C34 C35 120.66(53) ?
C34 C35 C36 120.50(48) ?
C35 C36 C31 119.03(47) ?
C46 C41 C42 119.34(49) ?
C46 C41 P1 119.68(35) ?
C42 C41 P1 120.78(35) ?
C41 C42 C43 120.58(47) ?
C44 C43 C42 119.34(48) ?
C43 C44 C45 120.96(54) ?
C44 C45 C46 119.55(47) ?
C41 C46 C45 120.23(46) ?
C52 C51 C56 120.32(50) ?
C52 C51 P1 122.53(37) ?
C56 C51 P1 117.11(35) ?
C51 C52 C53 119.36(48) ?
C54 C53 C52 120.29(49) ?
C55 C54 C53 120.23(53) ?
C54 C55 C56 120.75(49) ?
C55 C56 C51 119.02(48) ?
C66 C61 C62 119.07(48) ?
C66 C61 P2 122.53(34) ?
C62 C61 P2 118.29(35) ?
C63 C62 C61 119.82(47) ?
C64 C63 C62 120.96(48) ?
C63 C64 C65 119.31(53) ?
C66 C65 C64 120.34(47) ?
C65 C66 C61 120.49(45) ?
C72 C71 C76 119.42(49) ?
C72 C71 P2 120.79(35) ?
C76 C71 P2 119.80(35) ?
C71 C72 C73 120.33(45) ?
C74 C73 C72 120.01(46) ?
C75 C74 C73 119.56(51) ?
C74 C75 C76 120.96(47) ?
C75 C76 C71 119.70(46) ?
C82 C81 C86 119.33(48) ?
C82 C81 P2 120.40(35) ?
C86 C81 P2 120.26(35) ?
C83 C82 C81 119.92(46) ?
C84 C83 C82 119.61(46) ?
C83 C84 C85 121.48(51) ?
C84 C85 C86 119.60(46) ?
C85 C86 C81 120.05(45) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Au C21 2.0587(52) y
Au C11 2.0613(55) y
Au S1 2.3215(14) y
Au S2 2.3240(15) y
S1 C1 1.7471(54) y
S2 C2 1.7524(54) y
S3 C3 1.7310(56) y
S3 C1 1.7505(54) y
S4 C3 1.7393(55) y
S4 C2 1.7391(53) y
S5 C3 1.6469(56) y
C1 C2 1.3396(72) y
C11 C16 1.3714(81) ?
C11 C12 1.3752(78) ?
C12 F1 1.3502(64) ?
C12 C13 1.3816(78) ?
C13 F2 1.3482(68) ?
C13 C14 1.3555(87) ?
C14 F3 1.3617(64) ?
C14 C15 1.3768(83) ?
C15 F4 1.3472(66) ?
C15 C16 1.3765(78) ?
C16 F5 1.3532(64) ?
C21 C22 1.3767(55) ?
C21 C26 1.3777(55) ?
C22 F6 1.3504(50) ?
C22 C23 1.3802(59) ?
C23 F7 1.3484(50) ?
C23 C24 1.3763(56) ?
C24 F8 1.3348(59) ?
C24 C25 1.3742(56) ?
C25 F9 1.3430(49) ?
C25 C26 1.3788(58) ?
C26 F10 1.3468(50) ?
P1 N 1.5762(42) ?
P1 C51 1.7992(53) ?
P1 C41 1.7982(51) ?
P1 C31 1.8071(53) ?
P2 N 1.5870(42) ?
P2 C81 1.7885(52) ?
P2 C71 1.7979(53) ?
P2 C61 1.7968(51) ?
C31 C32 1.3888(58) ?
C31 C36 1.4012(57) ?
C32 C33 1.3971(63) ?
C33 C34 1.3743(62) ?
C34 C35 1.3776(61) ?
C35 C36 1.3917(62) ?
C41 C46 1.3847(56) ?
C41 C42 1.3871(57) ?
C42 C43 1.3854(62) ?
C43 C44 1.3754(61) ?
C44 C45 1.3777(61) ?
C45 C46 1.3882(60) ?
C51 C52 1.3913(58) ?
C51 C56 1.3957(59) ?
C52 C53 1.3940(61) ?
C53 C54 1.3803(62) ?
C54 C55 1.3716(63) ?
C55 C56 1.3938(62) ?
C61 C66 1.3912(56) ?
C61 C62 1.3976(56) ?
C62 C63 1.3816(62) ?
C63 C64 1.3803(62) ?
C64 C65 1.3878(59) ?
C65 C66 1.3799(60) ?
C71 C72 1.3878(57) ?
C71 C76 1.3881(57) ?
C72 C73 1.3902(61) ?
C73 C74 1.3828(60) ?
C74 C75 1.3758(60) ?
C75 C76 1.3868(62) ?
C81 C82 1.3991(57) ?
C81 C86 1.4014(57) ?
C82 C83 1.3900(60) ?
C83 C84 1.3753(59) ?
C84 C85 1.3757(59) ?
C85 C86 1.3861(59) ?
