#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:46:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179863 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/59/7015983.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_7015983
loop_
_publ_author_name
'Chia, Eugene Y.'
'Naeem, Saira'
'Delaude, Lionel'
'White, Andrew J. P.'
'Wilton-Ely, James D E T'
_publ_section_title
;
 Gold(i) complexes bearing mixed-donor ligands derived from
 N-heterocyclic carbenes.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6645
_journal_page_last               6658
_journal_paper_doi               10.1039/c0dt01613f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C46 H44 Au N3 P S, F6 P'
_chemical_formula_sum            'C46 H44 Au F6 N3 P2 S'
_chemical_formula_weight         1043.81
_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                111.492(2)
_cell_angle_beta                 115.794(2)
_cell_angle_gamma                90.1070(17)
_cell_formula_units_Z            2
_cell_length_a                   13.3686(3)
_cell_length_b                   13.7657(3)
_cell_length_c                   14.6220(4)
_cell_measurement_reflns_used    17692
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      32.8954
_cell_measurement_theta_min      2.9915
_cell_volume                     2212.12(11)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_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      173(2)
_diffrn_detector_area_resol_mean 15.9825
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.887
_diffrn_measurement_device_type  'OD Xcalibur 3'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0194
_diffrn_reflns_av_sigmaI/netI    0.0467
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            29225
_diffrn_reflns_theta_full        31.00
_diffrn_reflns_theta_max         32.97
_diffrn_reflns_theta_min         3.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.506
_exptl_absorpt_correction_T_max  0.696
_exptl_absorpt_correction_T_min  0.439
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.537
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.922
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     538
_refine_ls_number_reflns         14763
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.922
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0213
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0139P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0370
_refine_ls_wR_factor_ref         0.0375
_reflns_number_gt                11951
_reflns_number_total             14763
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01613f.txt
_cod_data_source_block           2
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015983
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 0.745392(6) 0.448857(5) 0.794491(5) 0.02260(2) Uani 1 1 d . . .
S1 S 0.74537(4) 0.34961(3) 0.62899(3) 0.03103(10) Uani 1 1 d . . .
C2 C 0.62593(12) 0.24868(12) 0.53879(12) 0.0182(3) Uani 1 1 d . . .
N3 N 0.54379(11) 0.21275(11) 0.54618(10) 0.0250(3) Uani 1 1 d . . .
C4 C 0.61367(13) 0.19569(12) 0.42457(12) 0.0188(3) Uani 1 1 d . . .
N5 N 0.68886(10) 0.15106(10) 0.39377(10) 0.0201(3) Uani 1 1 d . . .
C6 C 0.64037(14) 0.10705(13) 0.27872(12) 0.0263(4) Uani 1 1 d . . .
H6A H 0.6750 0.0697 0.2351 0.032 Uiso 1 1 calc R . .
C7 C 0.53552(14) 0.12723(13) 0.24088(13) 0.0277(4) Uani 1 1 d . . .
H7A H 0.4821 0.1074 0.1651 0.033 Uiso 1 1 calc R . .
N8 N 0.51884(10) 0.18192(10) 0.33149(10) 0.0205(3) Uani 1 1 d . . .
C9 C 0.79811(13) 0.13838(12) 0.46793(12) 0.0221(3) Uani 1 1 d . . .
C10 C 0.89493(14) 0.20130(13) 0.49236(13) 0.0250(4) Uani 1 1 d . . .
C11 C 0.99806(15) 0.18621(14) 0.56399(14) 0.0335(4) Uani 1 1 d . . .
H11A H 1.0662 0.2273 0.5816 0.040 Uiso 1 1 calc R . .
C12 C 1.00460(16) 0.11356(15) 0.61028(14) 0.0364(5) Uani 1 1 d . . .
C13 C 0.90468(17) 0.05174(14) 0.58118(14) 0.0364(5) Uani 1 1 d . . .
H13A H 0.9085 0.0011 0.6120 0.044 Uiso 1 1 calc R . .
C14 C 0.79949(15) 0.06120(13) 0.50882(13) 0.0288(4) Uani 1 1 d . . .
C15 C 0.88986(15) 0.28350(15) 0.44662(15) 0.0362(4) Uani 1 1 d . . .
H15A H 0.8521 0.2490 0.3652 0.054 Uiso 1 1 calc R . .
H15B H 0.9669 0.3194 0.4738 0.054 Uiso 1 1 calc R . .
H15C H 0.8472 0.3358 0.4710 0.054 Uiso 1 1 calc R . .
C16 C 1.11683(18) 0.10168(18) 0.69072(15) 0.0548(6) Uani 1 1 d . . .
H16A H 1.1782 0.1397 0.6899 0.082 Uiso 1 1 calc R . .
H16B H 1.1212 0.0261 0.6688 0.082 Uiso 1 1 calc R . .
H16C H 1.1241 0.1315 0.7658 0.082 Uiso 1 1 calc R . .
C17 C 0.69235(17) -0.01003(14) 0.47406(16) 0.0399(5) Uani 1 1 d . . .
H17A H 0.7114 -0.0646 0.5037 0.060 Uiso 1 1 calc R . .
H17B H 0.6501 -0.0443 0.3927 0.060 Uiso 1 1 calc R . .
H17C H 0.6458 0.0325 0.5031 0.060 Uiso 1 1 calc R . .
C18 C 0.41609(13) 0.21847(13) 0.32803(12) 0.0239(4) Uani 1 1 d . . .
C19 C 0.33022(14) 0.14575(14) 0.31002(13) 0.0289(4) Uani 1 1 d . . .
C20 C 0.23399(15) 0.18329(18) 0.31129(15) 0.0392(5) Uani 1 1 d . . .
H20A H 0.1732 0.1355 0.2984 0.047 Uiso 1 1 calc R . .
C21 C 0.22449(16) 0.28680(19) 0.33047(15) 0.0459(5) Uani 1 1 d . . .
C22 C 0.31250(17) 0.35695(17) 0.34806(15) 0.0420(5) Uani 1 1 d . . .
H22A H 0.3060 0.4291 0.3622 0.050 Uiso 1 1 calc R . .
C23 C 0.40992(15) 0.32380(14) 0.34535(13) 0.0305(4) Uani 1 1 d . . .
C24 C 0.34270(15) 0.03350(14) 0.29425(14) 0.0357(4) Uani 1 1 d . . .
H24A H 0.3480 -0.0030 0.2255 0.054 Uiso 1 1 calc R . .
H24B H 0.2767 -0.0036 0.2894 0.054 Uiso 1 1 calc R . .
H24C H 0.4115 0.0336 0.3575 0.054 Uiso 1 1 calc R . .
C25 C 0.11965(19) 0.3265(2) 0.3342(2) 0.0773(9) Uani 1 1 d . . .
H25A H 0.0521 0.2725 0.2755 0.116 Uiso 1 1 calc R . .
H25B H 0.1147 0.3924 0.3227 0.116 Uiso 1 1 calc R . .
H25C H 0.1247 0.3400 0.4069 0.116 Uiso 1 1 calc R . .
C26 C 0.50364(17) 0.39855(15) 0.36067(17) 0.0441(5) Uani 1 1 d . . .
H26A H 0.5720 0.4094 0.4296 0.066 Uiso 1 1 calc R . .
H26B H 0.4806 0.4670 0.3650 0.066 Uiso 1 1 calc R . .
H26C H 0.5194 0.3680 0.2974 0.066 Uiso 1 1 calc R . .
C27 C 0.52326(13) 0.24820(12) 0.63847(12) 0.0208(3) Uani 1 1 d . . .
C28 C 0.42743(14) 0.29145(13) 0.62753(14) 0.0275(4) Uani 1 1 d . . .
H28A H 0.3862 0.3081 0.5653 0.033 Uiso 1 1 calc R . .
C29 C 0.39151(15) 0.31046(14) 0.70706(14) 0.0314(4) Uani 1 1 d . . .
H29A H 0.3263 0.3411 0.6996 0.038 Uiso 1 1 calc R . .
C30 C 0.44981(15) 0.28530(13) 0.79703(14) 0.0314(4) Uani 1 1 d . . .
H30A H 0.4235 0.2962 0.8502 0.038 Uiso 1 1 calc R . .
C31 C 0.54615(15) 0.24440(14) 0.80925(14) 0.0312(4) Uani 1 1 d . . .
H31A H 0.5875 0.2285 0.8721 0.037 Uiso 1 1 calc R . .
C32 C 0.58386(14) 0.22598(13) 0.73075(13) 0.0282(4) Uani 1 1 d . . .
H32A H 0.6510 0.1982 0.7402 0.034 Uiso 1 1 calc R . .
P41 P 0.77700(3) 0.57097(3) 0.96316(3) 0.02018(9) Uani 1 1 d . . .
C42 C 0.89121(13) 0.67945(12) 1.01647(13) 0.0222(3) Uani 1 1 d . . .
C43 C 0.87946(15) 0.73678(14) 0.95307(14) 0.0317(4) Uani 1 1 d . . .
H43A H 0.8129 0.7183 0.8842 0.038 Uiso 1 1 calc R . .
C44 C 0.96361(16) 0.82069(15) 0.98898(16) 0.0385(5) Uani 1 1 d . . .
H44A H 0.9545 0.8602 0.9455 0.046 Uiso 1 1 calc R . .
C45 C 1.06070(15) 0.84662(15) 1.08814(16) 0.0396(5) Uani 1 1 d . . .
H45A H 1.1187 0.9041 1.1129 0.047 Uiso 1 1 calc R . .
C46 C 1.07411(14) 0.78980(15) 1.15145(15) 0.0361(5) Uani 1 1 d . . .
H46A H 1.1417 0.8079 1.2195 0.043 Uiso 1 1 calc R . .
C47 C 0.98965(13) 0.70597(14) 1.11682(14) 0.0279(4) Uani 1 1 d . . .
H47A H 0.9989 0.6672 1.1610 0.033 Uiso 1 1 calc R . .
C48 C 0.81363(13) 0.51791(12) 1.06742(13) 0.0217(3) Uani 1 1 d . . .
C49 C 0.83767(15) 0.41638(13) 1.04550(15) 0.0320(4) Uani 1 1 d . . .
H49A H 0.8353 0.3755 0.9760 0.038 Uiso 1 1 calc R . .
C50 C 0.86513(16) 0.37421(15) 1.12418(16) 0.0388(5) Uani 1 1 d . . .
H50A H 0.8808 0.3043 1.1083 0.047 Uiso 1 1 calc R . .
C51 C 0.86974(15) 0.43326(15) 1.22514(15) 0.0341(4) Uani 1 1 d . . .
H51A H 0.8887 0.4042 1.2790 0.041 Uiso 1 1 calc R . .
C52 C 0.84694(14) 0.53474(14) 1.24846(14) 0.0301(4) Uani 1 1 d . . .
H52A H 0.8511 0.5757 1.3187 0.036 Uiso 1 1 calc R . .
C53 C 0.81798(14) 0.57700(13) 1.16988(13) 0.0265(4) Uani 1 1 d . . .
H53A H 0.8010 0.6464 1.1858 0.032 Uiso 1 1 calc R . .
C54 C 0.65485(13) 0.63101(12) 0.95741(12) 0.0197(3) Uani 1 1 d . . .
C55 C 0.65644(14) 0.73963(12) 0.99354(13) 0.0228(3) Uani 1 1 d . . .
H55A H 0.7255 0.7881 1.0269 0.027 Uiso 1 1 calc R . .
C56 C 0.55719(14) 0.77724(14) 0.98087(14) 0.0281(4) Uani 1 1 d . . .
H56A H 0.5586 0.8516 1.0058 0.034 Uiso 1 1 calc R . .
C57 C 0.45679(15) 0.70789(15) 0.93255(14) 0.0322(4) Uani 1 1 d . . .
H57A H 0.3887 0.7341 0.9223 0.039 Uiso 1 1 calc R . .
C58 C 0.45520(15) 0.60010(15) 0.89904(16) 0.0399(5) Uani 1 1 d . . .
H58A H 0.3864 0.5521 0.8680 0.048 Uiso 1 1 calc R . .
C59 C 0.55361(14) 0.56166(14) 0.91053(15) 0.0339(4) Uani 1 1 d . . .
H59A H 0.5518 0.4872 0.8861 0.041 Uiso 1 1 calc R . .
P1 P 0.24270(4) 0.93721(3) 0.94035(4) 0.02574(10) Uani 1 1 d . . .
F1 F 0.11359(9) 0.92007(10) 0.91023(10) 0.0570(3) Uani 1 1 d . . .
F2 F 0.26911(10) 0.87528(9) 1.01921(9) 0.0492(3) Uani 1 1 d . . .
F3 F 0.26821(9) 1.04722(8) 1.04302(8) 0.0424(3) Uani 1 1 d . . .
F4 F 0.21942(10) 0.99851(9) 0.86165(9) 0.0435(3) Uani 1 1 d . . .
F5 F 0.21982(10) 0.82745(8) 0.83797(8) 0.0427(3) Uani 1 1 d . . .
F6 F 0.37355(9) 0.95394(9) 0.97049(10) 0.0474(3) Uani 1 1 d . . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P41 Au S1 167.432(14) . . ?
C2 S1 Au 112.15(5) . . ?
N3 C2 C4 111.98(13) . . ?
N3 C2 S1 134.82(12) . . ?
C4 C2 S1 113.11(11) . . ?
C2 N3 C27 127.77(13) . . ?
N5 C4 N8 107.41(13) . . ?
N5 C4 C2 128.53(14) . . ?
N8 C4 C2 124.03(14) . . ?
C4 N5 C6 109.20(13) . . ?
C4 N5 C9 125.21(12) . . ?
C6 N5 C9 125.13(13) . . ?
C7 C6 N5 106.82(14) . . ?
C6 C7 N8 107.80(14) . . ?
C4 N8 C7 108.76(13) . . ?
C4 N8 C18 125.15(13) . . ?
C7 N8 C18 126.09(13) . . ?
C10 C9 C14 123.67(16) . . ?
C10 C9 N5 118.74(14) . . ?
C14 C9 N5 117.58(14) . . ?
C9 C10 C11 116.68(16) . . ?
C9 C10 C15 122.04(15) . . ?
C11 C10 C15 121.26(16) . . ?
C12 C11 C10 122.27(17) . . ?
C11 C12 C13 118.28(17) . . ?
C11 C12 C16 121.21(19) . . ?
C13 C12 C16 120.51(19) . . ?
C14 C13 C12 122.42(18) . . ?
C13 C14 C9 116.63(17) . . ?
C13 C14 C17 121.67(17) . . ?
C9 C14 C17 121.69(16) . . ?
C23 C18 C19 123.78(16) . . ?
C23 C18 N8 118.62(15) . . ?
C19 C18 N8 117.58(15) . . ?
C18 C19 C20 116.80(18) . . ?
C18 C19 C24 121.40(16) . . ?
C20 C19 C24 121.76(17) . . ?
C21 C20 C19 121.87(19) . . ?
C20 C21 C22 119.43(18) . . ?
C20 C21 C25 120.8(2) . . ?
C22 C21 C25 119.7(2) . . ?
C21 C22 C23 121.49(19) . . ?
C18 C23 C22 116.58(18) . . ?
C18 C23 C26 121.77(16) . . ?
C22 C23 C26 121.65(18) . . ?
C28 C27 C32 119.38(15) . . ?
C28 C27 N3 117.40(15) . . ?
C32 C27 N3 122.39(15) . . ?
C29 C28 C27 120.17(16) . . ?
C30 C29 C28 120.43(17) . . ?
C31 C30 C29 119.50(16) . . ?
C30 C31 C32 120.68(17) . . ?
C27 C32 C31 119.80(17) . . ?
C48 P41 C42 107.05(7) . . ?
C48 P41 C54 106.25(7) . . ?
C42 P41 C54 105.96(7) . . ?
C48 P41 Au 113.80(5) . . ?
C42 P41 Au 110.87(5) . . ?
C54 P41 Au 112.42(5) . . ?
C43 C42 C47 119.48(15) . . ?
C43 C42 P41 117.73(12) . . ?
C47 C42 P41 122.79(13) . . ?
C44 C43 C42 120.68(16) . . ?
C45 C44 C43 119.65(18) . . ?
C46 C45 C44 120.35(17) . . ?
C45 C46 C47 120.55(16) . . ?
C46 C47 C42 119.28(17) . . ?
C49 C48 C53 119.03(15) . . ?
C49 C48 P41 119.70(12) . . ?
C53 C48 P41 121.27(12) . . ?
C50 C49 C48 120.45(16) . . ?
C51 C50 C49 120.09(17) . . ?
C50 C51 C52 120.10(17) . . ?
C51 C52 C53 120.24(16) . . ?
C52 C53 C48 120.08(16) . . ?
C59 C54 C55 119.14(15) . . ?
C59 C54 P41 116.43(12) . . ?
C55 C54 P41 124.41(12) . . ?
C56 C55 C54 119.92(15) . . ?
C57 C56 C55 120.60(16) . . ?
C56 C57 C58 119.73(17) . . ?
C57 C58 C59 120.12(17) . . ?
C58 C59 C54 120.46(17) . . ?
F1 P1 F4 90.91(7) . . ?
F1 P1 F2 90.52(7) . . ?
F4 P1 F2 178.50(7) . . ?
F1 P1 F3 90.80(7) . . ?
F4 P1 F3 90.16(6) . . ?
F2 P1 F3 90.28(6) . . ?
F1 P1 F5 90.39(6) . . ?
F4 P1 F5 89.71(6) . . ?
F2 P1 F5 89.81(6) . . ?
F3 P1 F5 178.80(6) . . ?
F1 P1 F6 179.70(8) . . ?
F4 P1 F6 89.17(6) . . ?
F2 P1 F6 89.39(7) . . ?
F3 P1 F6 89.49(6) . . ?
F5 P1 F6 89.31(6) . . ?
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 P41 2.2670(4) . ?
Au S1 2.3021(4) . ?
S1 C2 1.7423(15) . ?
C2 N3 1.2659(19) . ?
C2 C4 1.489(2) . ?
N3 C27 1.4053(19) . ?
C4 N5 1.3357(19) . ?
C4 N8 1.3432(19) . ?
N5 C6 1.3857(18) . ?
N5 C9 1.4494(19) . ?
C6 C7 1.337(2) . ?
C7 N8 1.3779(19) . ?
N8 C18 1.450(2) . ?
C9 C10 1.386(2) . ?
C9 C14 1.394(2) . ?
C10 C11 1.394(2) . ?
C10 C15 1.499(2) . ?
C11 C12 1.382(3) . ?
C12 C13 1.388(3) . ?
C12 C16 1.506(2) . ?
C13 C14 1.386(2) . ?
C14 C17 1.506(2) . ?
C18 C23 1.387(2) . ?
C18 C19 1.389(2) . ?
C19 C20 1.392(2) . ?
C19 C24 1.497(3) . ?
C20 C21 1.365(3) . ?
C21 C22 1.391(3) . ?
C21 C25 1.521(3) . ?
C22 C23 1.393(3) . ?
C23 C26 1.504(3) . ?
C27 C28 1.384(2) . ?
C27 C32 1.387(2) . ?
C28 C29 1.384(2) . ?
C29 C30 1.379(2) . ?
C30 C31 1.373(2) . ?
C31 C32 1.388(2) . ?
P41 C48 1.8069(16) . ?
P41 C42 1.8088(16) . ?
P41 C54 1.8147(16) . ?
C42 C43 1.385(2) . ?
C42 C47 1.394(2) . ?
C43 C44 1.383(2) . ?
C44 C45 1.377(3) . ?
C45 C46 1.374(3) . ?
C46 C47 1.390(2) . ?
C48 C49 1.386(2) . ?
C48 C53 1.393(2) . ?
C49 C50 1.385(2) . ?
C50 C51 1.373(3) . ?
C51 C52 1.380(2) . ?
C52 C53 1.383(2) . ?
C54 C59 1.386(2) . ?
C54 C55 1.388(2) . ?
C55 C56 1.386(2) . ?
C56 C57 1.374(2) . ?
C57 C58 1.379(3) . ?
C58 C59 1.384(3) . ?
P1 F1 1.5778(11) . ?
P1 F4 1.5920(11) . ?
P1 F2 1.5962(11) . ?
P1 F3 1.5969(11) . ?
P1 F5 1.6000(11) . ?
P1 F6 1.6002(11) . ?
