#------------------------------------------------------------------------------
#$Date: 2021-04-17 08:07:02 +0300 (Sat, 17 Apr 2021) $
#$Revision: 264275 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/38/2243811.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_2243811
loop_
_publ_author_name
'Hartgerink, Colin T.'
'Staples, Richard J.'
'Anderson, Carolyn E.'
_publ_section_title
;
 Crystal structure of
 tris(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl-κP)-μ-oxoethenylidene-triangulo-trigold(I)
 bis(trifluoromethanesulfonyl)imide
;
_journal_coeditor_code           YZ2006
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              537
_journal_page_last               541
_journal_paper_doi               10.1107/S2056989021003844
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac
'[Au3 (C2 O) (C26 H35 O2 P)3] (C2 F6 N O4 S2)'
_chemical_formula_moiety         'C80 H105 Au3 O7 P3 +, C2 F6 N O4 S2 -'
_chemical_formula_sum            'C82 H105 Au3 F6 N O11 P3 S2'
_chemical_formula_weight         2142.59
_chemical_name_systematic
;Tris(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl-κP)-μ-oxoethenylidene-triangulo-trigold(I)
bis(trifluoromethanesulfonyl)imide
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method
;
Olex2 1.5-alpha
(compiled 2021.03.11 svn.rd6aaa9fc for OlexSys, GUI svn.r6285)
;
_cell_angle_alpha                90
_cell_angle_beta                 103.7669(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.0018(3)
_cell_length_b                   12.48670(10)
_cell_length_c                   28.4299(3)
_cell_measurement_reflns_used    9988
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      70.12
_cell_measurement_theta_min      2.17
_cell_volume                     8275.76(15)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
COSMO (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
Olex2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
Olex2 (Dolomanov et al.,  2009)
;
_computing_structure_refinement
;
SHELXL2018/3 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.36
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'ω and φ'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1099
_diffrn_reflns_av_unetI/netI     0.0786
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            73587
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         70.125
_diffrn_reflns_theta_min         2.170
_diffrn_source                   'sealed tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.418
_exptl_absorpt_correction_T_max  0.7351
_exptl_absorpt_correction_T_min  0.3213
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2013)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_description       needle
_exptl_crystal_F_000             4240
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.049
_exptl_crystal_size_min          0.034
_refine_diff_density_max         1.766
_refine_diff_density_min         -0.954
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     979
_refine_ls_number_reflns         15716
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0483
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0447P)²+20.5744P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1051
_refine_ls_wR_factor_ref         0.1202
_reflns_number_gt                11064
_reflns_number_total             15716
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            yz2006sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        8275.75(15)
_cod_database_code               2243811
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.209
_shelx_estimated_absorpt_t_max   0.698
loop_
_space_group_symop_operation_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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 0.53937(2) 0.36171(3) 0.21151(2) 0.03027(9) Uani d 1 . .
Au Au2 0.54502(2) 0.30927(3) 0.32634(2) 0.03393(9) Uani d 1 . .
Au Au3 0.44934(2) 0.20237(3) 0.24086(2) 0.03374(9) Uani d 1 . .
P P1 0.59759(9) 0.34972(16) 0.15898(8) 0.0314(4) Uani d 1 . .
P P2 0.61858(10) 0.26651(18) 0.39059(8) 0.0368(5) Uani d 1 . .
P P3 0.41808(10) 0.03219(17) 0.22248(8) 0.0364(5) Uani d 1 . .
O O1 0.4258(3) 0.5067(5) 0.2643(2) 0.0507(16) Uani d 1 . .
O O2 0.5926(3) 0.6146(5) 0.2136(2) 0.0412(14) Uani d 1 . .
O O3 0.4780(3) 0.5587(5) 0.0590(2) 0.0425(14) Uani d 1 . .
O O4 0.4879(4) 0.2011(9) 0.4500(5) 0.118(4) Uani d 1 . .
O O5 0.5453(4) 0.5423(6) 0.4146(3) 0.071(2) Uani d 1 . .
O O6 0.2659(3) 0.1195(5) 0.2662(2) 0.0518(17) Uani d 1 . .
O O7 0.3411(3) 0.2431(6) 0.1389(3) 0.0555(18) Uani d 1 . .
C C1 0.4875(3) 0.3511(6) 0.2611(3) 0.0274(16) Uani d 1 . .
C C2 0.4552(4) 0.4319(7) 0.2631(3) 0.038(2) Uani d 1 . .
C C3 0.6180(4) 0.4679(6) 0.1282(3) 0.0336(18) Uani d 1 . .
C C4 0.6653(4) 0.4587(7) 0.1086(3) 0.0367(19) Uani d 1 . .
H H4 0.688034 0.395750 0.115090 0.044 Uiso calc 1 . .
C C5 0.6808(4) 0.5367(7) 0.0801(3) 0.043(2) Uani d 1 . .
H H5 0.713897 0.527777 0.067595 0.052 Uiso calc 1 . .
C C6 0.6482(4) 0.6270(8) 0.0698(3) 0.043(2) Uani d 1 . .
H H6 0.657838 0.680655 0.049466 0.052 Uiso calc 1 . .
C C7 0.6006(4) 0.6402(7) 0.0894(3) 0.040(2) Uani d 1 . .
H H7 0.578703 0.704180 0.082893 0.048 Uiso calc 1 . .
C C8 0.5845(3) 0.5616(6) 0.1184(3) 0.0330(18) Uani d 1 . .
C C9 0.5331(3) 0.5833(6) 0.1374(3) 0.0340(18) Uani d 1 . .
C C10 0.5377(4) 0.6131(6) 0.1857(3) 0.0339(18) Uani d 1 . .
C C11 0.4892(4) 0.6375(7) 0.2022(3) 0.043(2) Uani d 1 . .
H H11 0.492373 0.655634 0.235195 0.052 Uiso calc 1 . .
C C12 0.4365(4) 0.6351(7) 0.1700(4) 0.046(2) Uani d 1 . .
H H12 0.403331 0.652251 0.181156 0.055 Uiso calc 1 . .
C C13 0.4304(4) 0.6090(7) 0.1224(4) 0.044(2) Uani d 1 . .
H H13 0.393527 0.607929 0.100791 0.053 Uiso calc 1 . .
C C14 0.4790(4) 0.5838(6) 0.1060(3) 0.0366(19) Uani d 1 . .
C C15 0.6001(5) 0.6310(8) 0.2644(4) 0.058(3) Uani d 1 . .
H H15A 0.584512 0.701133 0.270078 0.087 Uiso calc 1 . .
H H15B 0.641006 0.628363 0.280373 0.087 Uiso calc 1 . .
H H15C 0.579768 0.574788 0.277735 0.087 Uiso calc 1 . .
C C16 0.4226(4) 0.5417(9) 0.0267(4) 0.056(3) Uani d 1 . .
H H16A 0.427567 0.514674 -0.004380 0.083 Uiso calc 1 . .
H H16B 0.401483 0.609579 0.021584 0.083 Uiso calc 1 . .
H H16C 0.400999 0.489350 0.040980 0.083 Uiso calc 1 . .
C C17 0.5643(4) 0.2573(7) 0.1096(3) 0.0347(18) Uani d 1 . .
H H17 0.554779 0.190324 0.125365 0.042 Uiso calc 1 . .
C C18 0.6013(4) 0.2237(7) 0.0751(3) 0.044(2) Uani d 1 . .
H H18A 0.611749 0.287751 0.058530 0.053 Uiso calc 1 . .
H H18B 0.637162 0.190220 0.093769 0.053 Uiso calc 1 . .
C C19 0.5692(5) 0.1446(8) 0.0374(4) 0.057(3) Uani d 1 . .
H H19A 0.593181 0.126978 0.014542 0.068 Uiso calc 1 . .
H H19B 0.562425 0.077565 0.053808 0.068 Uiso calc 1 . .
C C20 0.5121(5) 0.1897(9) 0.0094(4) 0.057(3) Uani d 1 . .
H H20A 0.519205 0.251229 -0.010338 0.068 Uiso calc 1 . .
H H20B 0.491462 0.134176 -0.013001 0.068 Uiso calc 1 . .
C C21 0.4745(5) 0.2260(9) 0.0425(4) 0.057(3) Uani d 1 . .
H H21A 0.462137 0.162899 0.058536 0.069 Uiso calc 1 . .
H H21B 0.439727 0.261723 0.023096 0.069 Uiso calc 1 . .
C C22 0.5074(4) 0.3038(7) 0.0810(4) 0.044(2) Uani d 1 . .
H H22A 0.514978 0.370838 0.065036 0.053 Uiso calc 1 . .
H H22B 0.483260 0.321855 0.103709 0.053 Uiso calc 1 . .
C C23 0.6663(4) 0.2883(6) 0.1892(3) 0.0347(18) Uani d 1 . .
H H23 0.687237 0.268777 0.163914 0.042 Uiso calc 1 . .
C C24 0.6562(4) 0.1845(6) 0.2160(3) 0.041(2) Uani d 1 . .
H H24A 0.636134 0.202298 0.241689 0.049 Uiso calc 1 . .
H H24B 0.631552 0.134861 0.192923 0.049 Uiso calc 1 . .
C C25 0.7139(4) 0.1300(7) 0.2387(4) 0.046(2) Uani d 1 . .
H H25A 0.706969 0.065621 0.256844 0.056 Uiso calc 1 . .
H H25B 0.732180 0.106649 0.212692 0.056 Uiso calc 1 . .
C C26 0.7544(4) 0.2061(8) 0.2731(3) 0.043(2) Uani d 1 . .
H H26A 0.738786 0.220874 0.301645 0.052 Uiso calc 1 . .
H H26B 0.792276 0.171329 0.284525 0.052 Uiso calc 1 . .
C C27 0.7619(4) 0.3117(8) 0.2480(4) 0.048(2) Uani d 1 . .
H H27A 0.785333 0.361275 0.271920 0.058 Uiso calc 1 . .
H H27B 0.782679 0.298093 0.222420 0.058 Uiso calc 1 . .
C C28 0.7043(4) 0.3639(7) 0.2255(3) 0.0383(19) Uani d 1 . .
H H28A 0.710730 0.430873 0.208902 0.046 Uiso calc 1 . .
H H28B 0.684717 0.382670 0.251365 0.046 Uiso calc 1 . .
C C29 0.6169(4) 0.3013(7) 0.4529(3) 0.040(2) Uani d 1 . .
C C30 0.6664(4) 0.2764(8) 0.4899(4) 0.051(2) Uani d 1 . .
H H30 0.696362 0.235542 0.482178 0.061 Uiso calc 1 . .
C C31 0.6715(5) 0.3106(9) 0.5367(4) 0.058(3) Uani d 1 . .
H H31 0.704642 0.293109 0.561268 0.069 Uiso calc 1 . .
C C32 0.6277(5) 0.3712(9) 0.5478(4) 0.060(3) Uani d 1 . .
H H32 0.631325 0.397685 0.579737 0.072 Uiso calc 1 . .
C C33 0.5792(5) 0.3923(8) 0.5125(4) 0.058(3) Uani d 1 . .
H H33 0.549451 0.433181 0.520603 0.069 Uiso calc 1 . .
C C34 0.5723(4) 0.3561(8) 0.4655(4) 0.049(2) Uani d 1 . .
C C35 0.5158(4) 0.3740(9) 0.4305(4) 0.052(3) Uani d 1 . .
C C36 0.4742(5) 0.2971(11) 0.4246(5) 0.071(3) Uani d 1 . .
C C37 0.4210(6) 0.3079(13) 0.3935(6) 0.090(5) Uani d 1 . .
H H37 0.393316 0.252199 0.389193 0.108 Uiso calc 1 . .
C C38 0.4098(5) 0.4049(13) 0.3686(5) 0.082(4) Uani d 1 . .
H H38 0.373598 0.414986 0.346543 0.098 Uiso calc 1 . .
C C39 0.4489(5) 0.4852(10) 0.3748(4) 0.061(3) Uani d 1 . .
H H39 0.440122 0.551058 0.357920 0.073 Uiso calc 1 . .
C C40 0.5020(4) 0.4694(10) 0.4064(4) 0.058(3) Uani d 1 . .
C C41 0.4611(9) 0.1637(19) 0.4802(8) 0.178(11) Uani d 1 . .
H H41A 0.454369 0.086915 0.474341 0.268 Uiso calc 1 . .
H H41B 0.424264 0.200710 0.476118 0.268 Uiso calc 1 . .
H H41C 0.484121 0.174786 0.513242 0.268 Uiso calc 1 . .
C C42 0.5349(7) 0.6405(12) 0.3875(6) 0.106(5) Uani d 1 . .
H H42A 0.531818 0.625531 0.353136 0.160 Uiso calc 1 . .
H H42B 0.566778 0.690217 0.399398 0.160 Uiso calc 1 . .
H H42C 0.499126 0.672768 0.391507 0.160 Uiso calc 1 . .
C C43 0.6354(4) 0.1216(7) 0.3930(4) 0.043(2) Uani d 1 . .
H H43 0.669434 0.108234 0.420426 0.052 Uiso calc 1 . .
C C44 0.5838(4) 0.0590(7) 0.4024(4) 0.045(2) Uani d 1 . .
H H44A 0.575897 0.082988 0.433312 0.054 Uiso calc 1 . .
H H44B 0.549456 0.074185 0.376123 0.054 Uiso calc 1 . .
C C45 0.5956(5) -0.0607(8) 0.4046(4) 0.053(3) Uani d 1 . .
H H45A 0.628158 -0.076379 0.432397 0.064 Uiso calc 1 . .
H H45B 0.561465 -0.099116 0.409858 0.064 Uiso calc 1 . .
C C46 0.6095(5) -0.1007(7) 0.3584(4) 0.059(3) Uani d 1 . .
H H46A 0.575521 -0.092007 0.331002 0.070 Uiso calc 1 . .
H H46B 0.619145 -0.177892 0.361620 0.070 Uiso calc 1 . .
C C47 0.6599(5) -0.0383(7) 0.3481(4) 0.055(3) Uani d 1 . .
H H47A 0.667039 -0.062736 0.316940 0.066 Uiso calc 1 . .
H H47B 0.694749 -0.053823 0.373861 0.066 Uiso calc 1 . .
C C48 0.6493(5) 0.0829(7) 0.3458(4) 0.048(2) Uani d 1 . .
H H48A 0.616908 0.099917 0.318028 0.057 Uiso calc 1 . .
H H48B 0.683828 0.120460 0.340921 0.057 Uiso calc 1 . .
C C49 0.6807(4) 0.3412(7) 0.3790(3) 0.042(2) Uani d 1 . .
H H49 0.681878 0.324040 0.344894 0.051 Uiso calc 1 . .
C C50 0.7410(4) 0.3146(8) 0.4104(4) 0.052(2) Uani d 1 . .
H H50A 0.743247 0.334052 0.444534 0.062 Uiso calc 1 . .
H H50B 0.748318 0.236771 0.408944 0.062 Uiso calc 1 . .
C C51 0.7866(4) 0.3773(9) 0.3916(5) 0.061(3) Uani d 1 . .
H H51A 0.825119 0.361399 0.412326 0.073 Uiso calc 1 . .
H H51B 0.786035 0.353851 0.358255 0.073 Uiso calc 1 . .
C C52 0.7760(4) 0.4959(8) 0.3918(4) 0.055(3) Uani d 1 . .
H H52A 0.804607 0.533685 0.377895 0.066 Uiso calc 1 . .
H H52B 0.780626 0.520844 0.425589 0.066 Uiso calc 1 . .
C C53 0.7158(4) 0.5233(8) 0.3625(4) 0.056(3) Uani d 1 . .
H H53A 0.712916 0.506597 0.327995 0.067 Uiso calc 1 . .
H H53B 0.709109 0.601050 0.365162 0.067 Uiso calc 1 . .
C C54 0.6692(4) 0.4610(7) 0.3799(4) 0.049(2) Uani d 1 . .
H H54A 0.668976 0.483412 0.413288 0.059 Uiso calc 1 . .
H H54B 0.631127 0.477376 0.358665 0.059 Uiso calc 1 . .
C C55 0.3468(4) 0.0062(7) 0.1833(3) 0.0379(19) Uani d 1 . .
C C56 0.3376(4) -0.0890(7) 0.1569(3) 0.043(2) Uani d 1 . .
H H56 0.368843 -0.136941 0.158874 0.051 Uiso calc 1 . .
C C57 0.2845(4) -0.1157(8) 0.1280(4) 0.048(2) Uani d 1 . .
H H57 0.279522 -0.180323 0.109843 0.058 Uiso calc 1 . .
C C58 0.2396(4) -0.0482(8) 0.1260(4) 0.052(3) Uani d 1 . .
H H58 0.202989 -0.065319 0.106163 0.062 Uiso calc 1 . .
C C59 0.2471(4) 0.0462(9) 0.1531(4) 0.051(2) Uani d 1 . .
H H59 0.214942 0.090974 0.152273 0.061 Uiso calc 1 . .
C C60 0.2999(4) 0.0761(7) 0.1808(3) 0.038(2) Uani d 1 . .
C C61 0.3043(4) 0.1850(7) 0.2036(3) 0.040(2) Uani d 1 . .
C C62 0.2853(4) 0.2068(7) 0.2452(3) 0.041(2) Uani d 1 . .
C C63 0.2845(4) 0.3103(8) 0.2625(4) 0.052(2) Uani d 1 . .
H H63 0.270172 0.324800 0.290286 0.063 Uiso calc 1 . .
C C64 0.3049(4) 0.3914(8) 0.2387(4) 0.050(2) Uani d 1 . .
H H64 0.305709 0.462204 0.251004 0.060 Uiso calc 1 . .
C C65 0.3242(4) 0.3736(7) 0.1976(4) 0.051(2) Uani d 1 . .
H H65 0.337491 0.431394 0.181520 0.061 Uiso calc 1 . .
C C66 0.3239(4) 0.2710(7) 0.1802(4) 0.044(2) Uani d 1 . .
C C67 0.2525(6) 0.1374(10) 0.3121(4) 0.070(3) Uani d 1 . .
H H67A 0.218638 0.183715 0.307596 0.105 Uiso calc 1 . .
H H67B 0.285073 0.172065 0.334161 0.105 Uiso calc 1 . .
H H67C 0.244473 0.068721 0.325783 0.105 Uiso calc 1 . .
C C68 0.3657(5) 0.3256(9) 0.1159(4) 0.068(3) Uani d 1 . .
H H68A 0.376332 0.296503 0.087230 0.102 Uiso calc 1 . .
H H68B 0.399909 0.353722 0.138478 0.102 Uiso calc 1 . .
H H68C 0.337692 0.383396 0.106079 0.102 Uiso calc 1 . .
C C69 0.4678(4) -0.0396(7) 0.1926(3) 0.041(2) Uani d 1 . .
H H69 0.458485 -0.117645 0.192114 0.049 Uiso calc 1 . .
C C70 0.5302(4) -0.0252(8) 0.2206(4) 0.056(3) Uani d 1 . .
H H70A 0.534730 -0.049412 0.254429 0.067 Uiso calc 1 . .
H H70B 0.540854 0.051437 0.221069 0.067 Uiso calc 1 . .
C C71 0.5697(4) -0.0910(8) 0.1962(5) 0.071(4) Uani d 1 . .
H H71A 0.610169 -0.077509 0.213111 0.085 Uiso calc 1 . .
H H71B 0.561906 -0.168218 0.199365 0.085 Uiso calc 1 . .
C C72 0.5613(5) -0.0634(8) 0.1429(5) 0.071(4) Uani d 1 . .
H H72A 0.576272 0.009536 0.140059 0.085 Uiso calc 1 . .
H H72B 0.583877 -0.113960 0.128011 0.085 Uiso calc 1 . .
C C73 0.4995(5) -0.0681(9) 0.1153(5) 0.069(4) Uani d 1 . .
H H73A 0.486483 -0.143518 0.112594 0.083 Uiso calc 1 . .
H H73B 0.496094 -0.040098 0.082154 0.083 Uiso calc 1 . .
C C74 0.4611(4) -0.0027(7) 0.1402(3) 0.048(2) Uani d 1 . .
H H74A 0.420620 -0.010943 0.122242 0.057 Uiso calc 1 . .
H H74B 0.471363 0.074001 0.139774 0.057 Uiso calc 1 . .
C C75 0.4208(5) -0.0479(9) 0.2776(4) 0.057(3) Uani d 1 . .
H H75 0.462643 -0.061847 0.290921 0.069 Uiso calc 1 . .
C C76 0.3946(6) -0.1572(8) 0.2695(4) 0.061(3) Uani d 1 . .
H H76A 0.413062 -0.196718 0.247087 0.073 Uiso calc 1 . .
H H76B 0.353463 -0.149391 0.253436 0.073 Uiso calc 1 . .
C C77 0.3998(8) -0.2226(10) 0.3145(5) 0.100(5) Uani d 1 . .
H H77A 0.375486 -0.287293 0.306663 0.120 Uiso calc 1 . .
H H77B 0.440066 -0.246404 0.326290 0.120 Uiso calc 1 . .
C C78 0.3830(9) -0.1643(11) 0.3516(6) 0.131(8) Uani d 1 . .
H H78A 0.391791 -0.208200 0.381419 0.157 Uiso calc 1 . .
H H78B 0.340910 -0.154361 0.342031 0.157 Uiso calc 1 . .
C C79 0.4115(8) -0.0526(13) 0.3637(5) 0.105(6) Uani d 1 . .
H H79A 0.393233 -0.013570 0.386334 0.126 Uiso calc 1 . .
H H79B 0.452864 -0.060859 0.379026 0.126 Uiso calc 1 . .
C C80 0.4034(10) 0.0097(10) 0.3158(5) 0.127(8) Uani d 1 . .
H H80A 0.362459 0.029214 0.304421 0.152 Uiso calc 1 . .
H H80B 0.425722 0.077068 0.322131 0.152 Uiso calc 1 . .
S S1A 0.24408(13) 0.2219(2) 0.52100(11) 0.0607(7) Uani d 1 . .
S S2A 0.24474(12) 0.0341(3) 0.46694(11) 0.0639(7) Uani d 1 . .
F F1A 0.3480(4) 0.2976(7) 0.5371(3) 0.112(3) Uani d 1 . .
F F2A 0.2805(5) 0.4110(6) 0.5073(3) 0.110(3) Uani d 1 . .
F F3A 0.3042(3) 0.2920(6) 0.4621(3) 0.086(2) Uani d 1 . .
F F4A 0.3499(3) -0.0314(6) 0.4807(3) 0.081(2) Uani d 1 . .
F F5A 0.2957(4) -0.0660(7) 0.4113(3) 0.092(2) Uani d 1 . .
F F6A 0.3264(4) 0.0971(6) 0.4288(3) 0.095(3) Uani d 1 . .
O O1A 0.1904(4) 0.2535(8) 0.4885(4) 0.096(3) Uani d 1 . .
O O2A 0.2535(5) 0.2361(7) 0.5724(3) 0.092(3) Uani d 1 . .
O O3A 0.2090(4) 0.0861(8) 0.4249(3) 0.086(3) Uani d 1 . .
O O4A 0.2313(4) -0.0722(7) 0.4819(3) 0.085(3) Uani d 1 . .
N N1A 0.2676(4) 0.1084(7) 0.5117(4) 0.065(3) Uani d 1 . .
C C1A 0.2971(6) 0.3084(10) 0.5070(5) 0.068(3) Uani d 1 . .
C C2A 0.3075(6) 0.0072(11) 0.4477(4) 0.073(4) Uani d 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 0.00 -1.00 0.0150
1.00 0.00 1.00 0.0160
0.00 -1.00 -1.00 0.0800
0.00 1.00 1.00 0.0650
1.00 0.00 -1.00 0.0220
-1.00 0.00 1.00 0.0200
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
Au3 Au1 Au2 . . 59.247(11) ?
P1 Au1 Au2 . . 138.37(5) ?
P1 Au1 Au3 . . 133.55(5) ?
C1 Au1 Au2 . . 38.1(2) ?
C1 Au1 Au3 . . 40.3(2) ?
C1 Au1 P1 . . 172.5(2) ?
Au3 Au2 Au1 . . 58.675(11) ?
P2 Au2 Au1 . . 132.86(6) ?
P2 Au2 Au3 . . 141.89(6) ?
C1 Au2 Au1 . . 38.0(2) ?
C1 Au2 Au3 . . 39.9(2) ?
C1 Au2 P2 . . 170.9(2) ?
Au1 Au3 Au2 . . 62.077(11) ?
P3 Au3 Au1 . . 136.88(6) ?
P3 Au3 Au2 . . 134.46(6) ?
C1 Au3 Au1 . . 40.3(2) ?
C1 Au3 Au2 . . 40.1(2) ?
C1 Au3 P3 . . 173.3(2) ?
C3 P1 Au1 . . 122.2(3) ?
C3 P1 C17 . . 104.8(4) ?
C17 P1 Au1 . . 108.5(3) ?
C23 P1 Au1 . . 110.1(3) ?
C23 P1 C3 . . 104.3(4) ?
C23 P1 C17 . . 105.8(4) ?
C29 P2 Au2 . . 121.8(3) ?
C29 P2 C43 . . 104.5(4) ?
C29 P2 C49 . . 104.8(4) ?
C43 P2 Au2 . . 112.2(3) ?
C43 P2 C49 . . 108.7(4) ?
C49 P2 Au2 . . 104.0(3) ?
C55 P3 Au3 . . 121.0(3) ?
C55 P3 C69 . . 104.2(4) ?
C55 P3 C75 . . 105.0(4) ?
C69 P3 Au3 . . 110.1(3) ?
C75 P3 Au3 . . 111.6(4) ?
C75 P3 C69 . . 103.4(5) ?
C10 O2 C15 . . 117.5(7) ?
C14 O3 C16 . . 117.1(7) ?
C41 O4 C36 . . 124.5(14) ?
C40 O5 C42 . . 116.7(10) ?
C62 O6 C67 . . 116.4(8) ?
C66 O7 C68 . . 116.7(8) ?
Au1 C1 Au2 . . 103.9(3) ?
Au3 C1 Au1 . . 99.4(3) ?
Au3 C1 Au2 . . 100.1(3) ?
C2 C1 Au1 . . 116.3(6) ?
C2 C1 Au2 . . 115.6(6) ?
C2 C1 Au3 . . 118.8(6) ?
O1 C2 C1 . . 178.9(10) ?
C4 C3 P1 . . 117.5(6) ?
C4 C3 C8 . . 118.2(8) ?
C8 C3 P1 . . 123.8(6) ?
C3 C4 H4 . . 118.6 ?
C5 C4 C3 . . 122.9(8) ?
C5 C4 H4 . . 118.6 ?
C4 C5 H5 . . 120.4 ?
C6 C5 C4 . . 119.3(9) ?
C6 C5 H5 . . 120.4 ?
C5 C6 H6 . . 120.1 ?
C5 C6 C7 . . 119.7(9) ?
C7 C6 H6 . . 120.1 ?
C6 C7 H7 . . 119.3 ?
C8 C7 C6 . . 121.4(8) ?
C8 C7 H7 . . 119.3 ?
C3 C8 C9 . . 124.3(8) ?
C7 C8 C3 . . 118.5(8) ?
C7 C8 C9 . . 117.2(7) ?
C10 C9 C8 . . 121.7(8) ?
C14 C9 C8 . . 119.9(8) ?
C14 C9 C10 . . 118.2(8) ?
O2 C10 C9 . . 114.5(7) ?
O2 C10 C11 . . 124.8(8) ?
C11 C10 C9 . . 120.7(8) ?
C10 C11 H11 . . 120.6 ?
C12 C11 C10 . . 118.9(9) ?
C12 C11 H11 . . 120.6 ?
C11 C12 H12 . . 119.0 ?
C13 C12 C11 . . 122.1(9) ?
C13 C12 H12 . . 119.0 ?
C12 C13 H13 . . 120.5 ?
C12 C13 C14 . . 119.0(9) ?
C14 C13 H13 . . 120.5 ?
O3 C14 C9 . . 115.0(8) ?
O3 C14 C13 . . 123.9(8) ?
C9 C14 C13 . . 121.1(8) ?
O2 C15 H15A . . 109.5 ?
O2 C15 H15B . . 109.5 ?
O2 C15 H15C . . 109.5 ?
H15A C15 H15B . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
O3 C16 H16A . . 109.5 ?
O3 C16 H16B . . 109.5 ?
O3 C16 H16C . . 109.5 ?
H16A C16 H16B . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
P1 C17 H17 . . 106.6 ?
C18 C17 P1 . . 116.5(6) ?
C18 C17 H17 . . 106.6 ?
C22 C17 P1 . . 109.7(6) ?
C22 C17 H17 . . 106.6 ?
C22 C17 C18 . . 110.1(7) ?
C17 C18 H18A . . 109.5 ?
C17 C18 H18B . . 109.5 ?
H18A C18 H18B . . 108.1 ?
C19 C18 C17 . . 110.8(8) ?
C19 C18 H18A . . 109.5 ?
C19 C18 H18B . . 109.5 ?
C18 C19 H19A . . 109.3 ?
C18 C19 H19B . . 109.3 ?
H19A C19 H19B . . 107.9 ?
C20 C19 C18 . . 111.7(8) ?
C20 C19 H19A . . 109.3 ?
C20 C19 H19B . . 109.3 ?
C19 C20 H20A . . 109.1 ?
C19 C20 H20B . . 109.1 ?
H20A C20 H20B . . 107.9 ?
C21 C20 C19 . . 112.3(9) ?
C21 C20 H20A . . 109.1 ?
C21 C20 H20B . . 109.1 ?
C20 C21 H21A . . 109.6 ?
C20 C21 H21B . . 109.6 ?
C20 C21 C22 . . 110.5(8) ?
H21A C21 H21B . . 108.1 ?
C22 C21 H21A . . 109.6 ?
C22 C21 H21B . . 109.6 ?
C17 C22 C21 . . 112.5(8) ?
C17 C22 H22A . . 109.1 ?
C17 C22 H22B . . 109.1 ?
C21 C22 H22A . . 109.1 ?
C21 C22 H22B . . 109.1 ?
H22A C22 H22B . . 107.8 ?
P1 C23 H23 . . 108.3 ?
C24 C23 P1 . . 110.5(6) ?
C24 C23 H23 . . 108.3 ?
C28 C23 P1 . . 112.5(5) ?
C28 C23 H23 . . 108.3 ?
C28 C23 C24 . . 108.8(7) ?
C23 C24 H24A . . 109.6 ?
C23 C24 H24B . . 109.6 ?
H24A C24 H24B . . 108.1 ?
C25 C24 C23 . . 110.1(7) ?
C25 C24 H24A . . 109.6 ?
C25 C24 H24B . . 109.6 ?
C24 C25 H25A . . 109.4 ?
C24 C25 H25B . . 109.4 ?
H25A C25 H25B . . 108.0 ?
C26 C25 C24 . . 111.3(7) ?
C26 C25 H25A . . 109.4 ?
C26 C25 H25B . . 109.4 ?
C25 C26 H26A . . 109.3 ?
C25 C26 H26B . . 109.3 ?
H26A C26 H26B . . 108.0 ?
C27 C26 C25 . . 111.4(8) ?
C27 C26 H26A . . 109.3 ?
C27 C26 H26B . . 109.3 ?
C26 C27 H27A . . 109.3 ?
C26 C27 H27B . . 109.3 ?
H27A C27 H27B . . 107.9 ?
C28 C27 C26 . . 111.7(7) ?
C28 C27 H27A . . 109.3 ?
C28 C27 H27B . . 109.3 ?
C23 C28 H28A . . 109.5 ?
C23 C28 H28B . . 109.5 ?
C27 C28 C23 . . 110.7(7) ?
C27 C28 H28A . . 109.5 ?
C27 C28 H28B . . 109.5 ?
H28A C28 H28B . . 108.1 ?
C30 C29 P2 . . 117.2(7) ?
C34 C29 P2 . . 124.2(7) ?
C34 C29 C30 . . 118.4(9) ?
C29 C30 H30 . . 119.5 ?
C31 C30 C29 . . 121.1(10) ?
C31 C30 H30 . . 119.5 ?
C30 C31 H31 . . 120.4 ?
C30 C31 C32 . . 119.3(11) ?
C32 C31 H31 . . 120.4 ?
C31 C32 H32 . . 120.2 ?
C33 C32 C31 . . 119.7(10) ?
C33 C32 H32 . . 120.2 ?
C32 C33 H33 . . 118.9 ?
C32 C33 C34 . . 122.1(10) ?
C34 C33 H33 . . 118.9 ?
C29 C34 C35 . . 122.3(9) ?
C33 C34 C29 . . 119.2(10) ?
C33 C34 C35 . . 118.5(9) ?
C36 C35 C34 . . 119.7(11) ?
C36 C35 C40 . . 117.7(11) ?
C40 C35 C34 . . 122.3(10) ?
C35 C36 O4 . . 117.6(12) ?
C35 C36 C37 . . 123.3(14) ?
C37 C36 O4 . . 119.0(13) ?
C36 C37 H37 . . 121.7 ?
C36 C37 C38 . . 116.7(14) ?
C38 C37 H37 . . 121.7 ?
C37 C38 H38 . . 119.0 ?
C39 C38 C37 . . 122.0(13) ?
C39 C38 H38 . . 119.0 ?
C38 C39 H39 . . 120.6 ?
C38 C39 C40 . . 118.7(13) ?
C40 C39 H39 . . 120.6 ?
O5 C40 C35 . . 114.2(10) ?
O5 C40 C39 . . 124.3(12) ?
C35 C40 C39 . . 121.4(12) ?
O4 C41 H41A . . 109.5 ?
O4 C41 H41B . . 109.5 ?
O4 C41 H41C . . 109.5 ?
H41A C41 H41B . . 109.5 ?
H41A C41 H41C . . 109.5 ?
H41B C41 H41C . . 109.5 ?
O5 C42 H42A . . 109.5 ?
O5 C42 H42B . . 109.5 ?
O5 C42 H42C . . 109.5 ?
H42A C42 H42B . . 109.5 ?
H42A C42 H42C . . 109.5 ?
H42B C42 H42C . . 109.5 ?
P2 C43 H43 . . 108.8 ?
C44 C43 P2 . . 109.0(6) ?
C44 C43 H43 . . 108.8 ?
C48 C43 P2 . . 111.4(6) ?
C48 C43 H43 . . 108.8 ?
C48 C43 C44 . . 110.0(8) ?
C43 C44 H44A . . 109.4 ?
C43 C44 H44B . . 109.4 ?
H44A C44 H44B . . 108.0 ?
C45 C44 C43 . . 111.0(8) ?
C45 C44 H44A . . 109.4 ?
C45 C44 H44B . . 109.4 ?
C44 C45 H45A . . 109.4 ?
C44 C45 H45B . . 109.4 ?
H45A C45 H45B . . 108.0 ?
C46 C45 C44 . . 111.4(8) ?
C46 C45 H45A . . 109.4 ?
C46 C45 H45B . . 109.4 ?
C45 C46 H46A . . 109.6 ?
C45 C46 H46B . . 109.6 ?
C45 C46 C47 . . 110.2(9) ?
H46A C46 H46B . . 108.1 ?
C47 C46 H46A . . 109.6 ?
C47 C46 H46B . . 109.6 ?
C46 C47 H47A . . 109.1 ?
C46 C47 H47B . . 109.1 ?
C46 C47 C48 . . 112.4(9) ?
H47A C47 H47B . . 107.9 ?
C48 C47 H47A . . 109.1 ?
C48 C47 H47B . . 109.1 ?
C43 C48 H48A . . 109.7 ?
C43 C48 H48B . . 109.7 ?
C47 C48 C43 . . 109.9(8) ?
C47 C48 H48A . . 109.7 ?
C47 C48 H48B . . 109.7 ?
H48A C48 H48B . . 108.2 ?
P2 C49 H49 . . 105.9 ?
C50 C49 P2 . . 118.2(7) ?
C50 C49 H49 . . 105.9 ?
C54 C49 P2 . . 109.6(6) ?
C54 C49 H49 . . 105.9 ?
C54 C49 C50 . . 110.5(8) ?
C49 C50 H50A . . 109.7 ?
C49 C50 H50B . . 109.7 ?
H50A C50 H50B . . 108.2 ?
C51 C50 C49 . . 109.7(8) ?
C51 C50 H50A . . 109.7 ?
C51 C50 H50B . . 109.7 ?
C50 C51 H51A . . 109.4 ?
C50 C51 H51B . . 109.4 ?
H51A C51 H51B . . 108.0 ?
C52 C51 C50 . . 111.4(9) ?
C52 C51 H51A . . 109.4 ?
C52 C51 H51B . . 109.4 ?
C51 C52 H52A . . 109.4 ?
C51 C52 H52B . . 109.4 ?
C51 C52 C53 . . 111.0(8) ?
H52A C52 H52B . . 108.0 ?
C53 C52 H52A . . 109.4 ?
C53 C52 H52B . . 109.4 ?
C52 C53 H53A . . 109.2 ?
C52 C53 H53B . . 109.2 ?
C52 C53 C54 . . 112.2(9) ?
H53A C53 H53B . . 107.9 ?
C54 C53 H53A . . 109.2 ?
C54 C53 H53B . . 109.2 ?
C49 C54 C53 . . 110.1(8) ?
C49 C54 H54A . . 109.6 ?
C49 C54 H54B . . 109.6 ?
C53 C54 H54A . . 109.6 ?
C53 C54 H54B . . 109.6 ?
H54A C54 H54B . . 108.2 ?
C56 C55 P3 . . 118.8(7) ?
C56 C55 C60 . . 118.6(8) ?
C60 C55 P3 . . 122.5(7) ?
C55 C56 H56 . . 119.0 ?
C57 C56 C55 . . 122.0(9) ?
C57 C56 H56 . . 119.0 ?
C56 C57 H57 . . 120.5 ?
C58 C57 C56 . . 119.0(9) ?
C58 C57 H57 . . 120.5 ?
C57 C58 H58 . . 119.9 ?
C57 C58 C59 . . 120.3(9) ?
C59 C58 H58 . . 119.9 ?
C58 C59 H59 . . 119.1 ?
C60 C59 C58 . . 121.7(9) ?
C60 C59 H59 . . 119.1 ?
C55 C60 C61 . . 124.5(8) ?
C59 C60 C55 . . 118.3(9) ?
C59 C60 C61 . . 117.0(8) ?
C62 C61 C60 . . 122.8(8) ?
C62 C61 C66 . . 118.0(9) ?
C66 C61 C60 . . 119.0(8) ?
O6 C62 C61 . . 115.3(8) ?
O6 C62 C63 . . 123.3(8) ?
C63 C62 C61 . . 121.4(9) ?
C62 C63 H63 . . 120.8 ?
C64 C63 C62 . . 118.4(10) ?
C64 C63 H63 . . 120.8 ?
C63 C64 H64 . . 118.9 ?
C65 C64 C63 . . 122.2(9) ?
C65 C64 H64 . . 118.9 ?
C64 C65 H65 . . 120.5 ?
C64 C65 C66 . . 119.0(9) ?
C66 C65 H65 . . 120.5 ?
O7 C66 C61 . . 114.4(8) ?
C65 C66 O7 . . 124.5(9) ?
C65 C66 C61 . . 121.0(9) ?
O6 C67 H67A . . 109.5 ?
O6 C67 H67B . . 109.5 ?
O6 C67 H67C . . 109.5 ?
H67A C67 H67B . . 109.5 ?
H67A C67 H67C . . 109.5 ?
H67B C67 H67C . . 109.5 ?
O7 C68 H68A . . 109.5 ?
O7 C68 H68B . . 109.5 ?
O7 C68 H68C . . 109.5 ?
H68A C68 H68B . . 109.5 ?
H68A C68 H68C . . 109.5 ?
H68B C68 H68C . . 109.5 ?
P3 C69 H69 . . 108.0 ?
C70 C69 P3 . . 111.2(7) ?
C70 C69 H69 . . 108.0 ?
C70 C69 C74 . . 109.6(8) ?
C74 C69 P3 . . 111.8(6) ?
C74 C69 H69 . . 108.0 ?
C69 C70 H70A . . 109.8 ?
C69 C70 H70B . . 109.8 ?
C69 C70 C71 . . 109.6(9) ?
H70A C70 H70B . . 108.2 ?
C71 C70 H70A . . 109.8 ?
C71 C70 H70B . . 109.8 ?
C70 C71 H71A . . 109.2 ?
C70 C71 H71B . . 109.2 ?
H71A C71 H71B . . 107.9 ?
C72 C71 C70 . . 112.2(9) ?
C72 C71 H71A . . 109.2 ?
C72 C71 H71B . . 109.2 ?
C71 C72 H72A . . 109.0 ?
C71 C72 H72B . . 109.0 ?
H72A C72 H72B . . 107.8 ?
C73 C72 C71 . . 113.1(10) ?
C73 C72 H72A . . 109.0 ?
C73 C72 H72B . . 109.0 ?
C72 C73 H73A . . 109.3 ?
C72 C73 H73B . . 109.3 ?
C72 C73 C74 . . 111.5(9) ?
H73A C73 H73B . . 108.0 ?
C74 C73 H73A . . 109.3 ?
C74 C73 H73B . . 109.3 ?
C69 C74 H74A . . 109.5 ?
C69 C74 H74B . . 109.5 ?
C73 C74 C69 . . 110.8(9) ?
C73 C74 H74A . . 109.5 ?
C73 C74 H74B . . 109.5 ?
H74A C74 H74B . . 108.1 ?
P3 C75 H75 . . 104.2 ?
C76 C75 P3 . . 115.7(8) ?
C76 C75 H75 . . 104.2 ?
C80 C75 P3 . . 114.2(9) ?
C80 C75 H75 . . 104.2 ?
C80 C75 C76 . . 112.5(11) ?
C75 C76 H76A . . 108.6 ?
C75 C76 H76B . . 108.6 ?
C75 C76 C77 . . 114.8(11) ?
H76A C76 H76B . . 107.5 ?
C77 C76 H76A . . 108.6 ?
C77 C76 H76B . . 108.6 ?
C76 C77 H77A . . 109.2 ?
C76 C77 H77B . . 109.2 ?
H77A C77 H77B . . 107.9 ?
C78 C77 C76 . . 112.0(12) ?
C78 C77 H77A . . 109.2 ?
C78 C77 H77B . . 109.2 ?
C77 C78 H78A . . 108.3 ?
C77 C78 H78B . . 108.3 ?
C77 C78 C79 . . 115.9(13) ?
H78A C78 H78B . . 107.4 ?
C79 C78 H78A . . 108.3 ?
C79 C78 H78B . . 108.3 ?
C78 C79 H79A . . 110.2 ?
C78 C79 H79B . . 110.2 ?
H79A C79 H79B . . 108.5 ?
C80 C79 C78 . . 107.5(13) ?
C80 C79 H79A . . 110.2 ?
C80 C79 H79B . . 110.2 ?
C75 C80 C79 . . 114.5(12) ?
C75 C80 H80A . . 108.6 ?
C75 C80 H80B . . 108.6 ?
C79 C80 H80A . . 108.6 ?
C79 C80 H80B . . 108.6 ?
H80A C80 H80B . . 107.6 ?
O1A S1A N1A . . 116.1(6) ?
O1A S1A C1A . . 105.4(6) ?
O2A S1A O1A . . 121.1(6) ?
O2A S1A N1A . . 107.9(6) ?
O2A S1A C1A . . 101.7(6) ?
N1A S1A C1A . . 101.8(6) ?
O3A S2A O4A . . 121.5(6) ?
O3A S2A N1A . . 115.4(6) ?
O3A S2A C2A . . 102.3(6) ?
O4A S2A N1A . . 111.2(5) ?
O4A S2A C2A . . 100.6(6) ?
N1A S2A C2A . . 101.8(6) ?
S2A N1A S1A . . 126.9(7) ?
F1A C1A S1A . . 113.1(9) ?
F1A C1A F2A . . 108.9(11) ?
F1A C1A F3A . . 106.9(11) ?
F2A C1A S1A . . 110.4(9) ?
F2A C1A F3A . . 104.9(10) ?
F3A C1A S1A . . 112.2(9) ?
F4A C2A S2A . . 115.4(9) ?
F4A C2A F5A . . 106.6(11) ?
F4A C2A F6A . . 108.2(12) ?
F5A C2A S2A . . 109.1(9) ?
F5A C2A F6A . . 106.3(10) ?
F6A C2A S2A . . 110.8(9) ?
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
Au1 Au2 . 3.3005(5) ?
Au1 Au3 . 3.1909(5) ?
Au1 P1 . 2.280(2) ?
Au1 C1 . 2.094(8) ?
Au2 Au3 . 3.2101(5) ?
Au2 P2 . 2.281(2) ?
Au2 C1 . 2.098(7) ?
Au3 P3 . 2.273(2) ?
Au3 C1 . 2.090(7) ?
P1 C3 . 1.840(8) ?
P1 C17 . 1.846(8) ?
P1 C23 . 1.837(8) ?
P2 C29 . 1.833(9) ?
P2 C43 . 1.852(8) ?
P2 C49 . 1.853(9) ?
P3 C55 . 1.835(9) ?
P3 C69 . 1.854(9) ?
P3 C75 . 1.847(10) ?
O1 C2 . 1.176(10) ?
O2 C10 . 1.366(10) ?
O2 C15 . 1.427(11) ?
O3 C14 . 1.368(10) ?
O3 C16 . 1.441(11) ?
O4 C36 . 1.397(16) ?
O4 C41 . 1.278(18) ?
O5 C40 . 1.360(13) ?
O5 C42 . 1.438(14) ?
O6 C62 . 1.376(11) ?
O6 C67 . 1.432(12) ?
O7 C66 . 1.378(11) ?
O7 C68 . 1.422(12) ?
C1 C2 . 1.282(12) ?
C3 C4 . 1.385(11) ?
C3 C8 . 1.409(11) ?
C4 H4 . 0.9500 ?
C4 C5 . 1.373(12) ?
C5 H5 . 0.9500 ?
C5 C6 . 1.364(13) ?
C6 H6 . 0.9500 ?
C6 C7 . 1.394(12) ?
C7 H7 . 0.9500 ?
C7 C8 . 1.394(12) ?
C8 C9 . 1.486(11) ?
C9 C10 . 1.401(12) ?
C9 C14 . 1.389(11) ?
C10 C11 . 1.390(12) ?
C11 H11 . 0.9500 ?
C11 C12 . 1.374(13) ?
C12 H12 . 0.9500 ?
C12 C13 . 1.365(13) ?
C13 H13 . 0.9500 ?
C13 C14 . 1.390(12) ?
C15 H15A . 0.9800 ?
C15 H15B . 0.9800 ?
C15 H15C . 0.9800 ?
C16 H16A . 0.9800 ?
C16 H16B . 0.9800 ?
C16 H16C . 0.9800 ?
C17 H17 . 1.0000 ?
C17 C18 . 1.533(11) ?
C17 C22 . 1.527(12) ?
C18 H18A . 0.9900 ?
C18 H18B . 0.9900 ?
C18 C19 . 1.523(13) ?
C19 H19A . 0.9900 ?
C19 H19B . 0.9900 ?
C19 C20 . 1.522(15) ?
C20 H20A . 0.9900 ?
C20 H20B . 0.9900 ?
C20 C21 . 1.520(14) ?
C21 H21A . 0.9900 ?
C21 H21B . 0.9900 ?
C21 C22 . 1.535(13) ?
C22 H22A . 0.9900 ?
C22 H22B . 0.9900 ?
C23 H23 . 1.0000 ?
C23 C24 . 1.551(11) ?
C23 C28 . 1.531(11) ?
C24 H24A . 0.9900 ?
C24 H24B . 0.9900 ?
C24 C25 . 1.541(12) ?
C25 H25A . 0.9900 ?
C25 H25B . 0.9900 ?
C25 C26 . 1.533(13) ?
C26 H26A . 0.9900 ?
C26 H26B . 0.9900 ?
C26 C27 . 1.529(13) ?
C27 H27A . 0.9900 ?
C27 H27B . 0.9900 ?
C27 C28 . 1.524(11) ?
C28 H28A . 0.9900 ?
C28 H28B . 0.9900 ?
C29 C30 . 1.421(13) ?
C29 C34 . 1.389(13) ?
C30 H30 . 0.9500 ?
C30 C31 . 1.376(14) ?
C31 H31 . 0.9500 ?
C31 C32 . 1.391(14) ?
C32 H32 . 0.9500 ?
C32 C33 . 1.368(15) ?
C33 H33 . 0.9500 ?
C33 C34 . 1.383(14) ?
C34 C35 . 1.496(14) ?
C35 C36 . 1.366(16) ?
C35 C40 . 1.376(16) ?
C36 C37 . 1.376(18) ?
C37 H37 . 0.9500 ?
C37 C38 . 1.40(2) ?
C38 H38 . 0.9500 ?
C38 C39 . 1.356(17) ?
C39 H39 . 0.9500 ?
C39 C40 . 1.386(14) ?
C41 H41A . 0.9800 ?
C41 H41B . 0.9800 ?
C41 H41C . 0.9800 ?
C42 H42A . 0.9800 ?
C42 H42B . 0.9800 ?
C42 H42C . 0.9800 ?
C43 H43 . 1.0000 ?
C43 C44 . 1.539(12) ?
C43 C48 . 1.536(13) ?
C44 H44A . 0.9900 ?
C44 H44B . 0.9900 ?
C44 C45 . 1.520(13) ?
C45 H45A . 0.9900 ?
C45 H45B . 0.9900 ?
C45 C46 . 1.516(14) ?
C46 H46A . 0.9900 ?
C46 H46B . 0.9900 ?
C46 C47 . 1.526(14) ?
C47 H47A . 0.9900 ?
C47 H47B . 0.9900 ?
C47 C48 . 1.534(12) ?
C48 H48A . 0.9900 ?
C48 H48B . 0.9900 ?
C49 H49 . 1.0000 ?
C49 C50 . 1.546(13) ?
C49 C54 . 1.523(12) ?
C50 H50A . 0.9900 ?
C50 H50B . 0.9900 ?
C50 C51 . 1.541(14) ?
C51 H51A . 0.9900 ?
C51 H51B . 0.9900 ?
C51 C52 . 1.503(14) ?
C52 H52A . 0.9900 ?
C52 H52B . 0.9900 ?
C52 C53 . 1.524(14) ?
C53 H53A . 0.9900 ?
C53 H53B . 0.9900 ?
C53 C54 . 1.537(13) ?
C54 H54A . 0.9900 ?
C54 H54B . 0.9900 ?
C55 C56 . 1.395(12) ?
C55 C60 . 1.412(12) ?
C56 H56 . 0.9500 ?
C56 C57 . 1.383(13) ?
C57 H57 . 0.9500 ?
C57 C58 . 1.359(14) ?
C58 H58 . 0.9500 ?
C58 C59 . 1.395(14) ?
C59 H59 . 0.9500 ?
C59 C60 . 1.375(12) ?
C60 C61 . 1.499(12) ?
C61 C62 . 1.390(12) ?
C61 C66 . 1.404(12) ?
C62 C63 . 1.386(13) ?
C63 H63 . 0.9500 ?
C63 C64 . 1.372(14) ?
C64 H64 . 0.9500 ?
C64 C65 . 1.372(14) ?
C65 H65 . 0.9500 ?
C65 C66 . 1.374(13) ?
C67 H67A . 0.9800 ?
C67 H67B . 0.9800 ?
C67 H67C . 0.9800 ?
C68 H68A . 0.9800 ?
C68 H68B . 0.9800 ?
C68 H68C . 0.9800 ?
C69 H69 . 1.0000 ?
C69 C70 . 1.529(12) ?
C69 C74 . 1.530(13) ?
C70 H70A . 0.9900 ?
C70 H70B . 0.9900 ?
C70 C71 . 1.539(14) ?
C71 H71A . 0.9900 ?
C71 H71B . 0.9900 ?
C71 C72 . 1.520(17) ?
C72 H72A . 0.9900 ?
C72 H72B . 0.9900 ?
C72 C73 . 1.504(17) ?
C73 H73A . 0.9900 ?
C73 H73B . 0.9900 ?
C73 C74 . 1.524(13) ?
C74 H74A . 0.9900 ?
C74 H74B . 0.9900 ?
C75 H75 . 1.0000 ?
C75 C76 . 1.497(14) ?
C75 C80 . 1.444(16) ?
C76 H76A . 0.9900 ?
C76 H76B . 0.9900 ?
C76 C77 . 1.498(15) ?
C77 H77A . 0.9900 ?
C77 H77B . 0.9900 ?
C77 C78 . 1.416(19) ?
C78 H78A . 0.9900 ?
C78 H78B . 0.9900 ?
C78 C79 . 1.56(2) ?
C79 H79A . 0.9900 ?
C79 H79B . 0.9900 ?
C79 C80 . 1.539(18) ?
C80 H80A . 0.9900 ?
C80 H80B . 0.9900 ?
S1A O1A . 1.450(9) ?
S1A O2A . 1.436(9) ?
S1A N1A . 1.570(10) ?
S1A C1A . 1.784(13) ?
S2A O3A . 1.448(8) ?
S2A O4A . 1.453(9) ?
S2A N1A . 1.566(9) ?
S2A C2A . 1.754(14) ?
F1A C1A . 1.321(14) ?
F2A C1A . 1.342(14) ?
F3A C1A . 1.346(14) ?
F4A C2A . 1.301(13) ?
F5A C2A . 1.360(14) ?
F6A C2A . 1.368(14) ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Au1 P1 C3 C4 . . . . 161.8(5) ?
Au1 P1 C3 C8 . . . . -26.2(8) ?
Au1 P1 C17 C18 . . . . -170.1(6) ?
Au1 P1 C17 C22 . . . . 63.9(6) ?
Au1 P1 C23 C24 . . . . 48.8(6) ?
Au1 P1 C23 C28 . . . . -73.0(6) ?
Au2 P2 C29 C30 . . . . -176.5(6) ?
Au2 P2 C29 C34 . . . . -0.7(10) ?
Au2 P2 C43 C44 . . . . -65.2(7) ?
Au2 P2 C43 C48 . . . . 56.4(7) ?
Au2 P2 C49 C50 . . . . -168.7(7) ?
Au2 P2 C49 C54 . . . . 63.7(7) ?
Au3 P3 C55 C56 . . . . 153.7(6) ?
Au3 P3 C55 C60 . . . . -29.8(9) ?
Au3 P3 C69 C70 . . . . 48.3(7) ?
Au3 P3 C69 C74 . . . . -74.5(7) ?
Au3 P3 C75 C76 . . . . 173.0(8) ?
Au3 P3 C75 C80 . . . . 39.9(13) ?
P1 C3 C4 C5 . . . . 172.4(7) ?
P1 C3 C8 C7 . . . . -171.8(6) ?
P1 C3 C8 C9 . . . . 8.8(12) ?
P1 C17 C18 C19 . . . . 178.0(7) ?
P1 C17 C22 C21 . . . . -174.4(7) ?
P1 C23 C24 C25 . . . . 176.7(6) ?
P1 C23 C28 C27 . . . . -177.4(6) ?
P2 C29 C30 C31 . . . . 172.5(8) ?
P2 C29 C34 C33 . . . . -170.3(8) ?
P2 C29 C34 C35 . . . . 12.0(14) ?
P2 C43 C44 C45 . . . . 180.0(7) ?
P2 C43 C48 C47 . . . . -177.1(7) ?
P2 C49 C50 C51 . . . . 174.5(7) ?
P2 C49 C54 C53 . . . . -171.1(7) ?
P3 C55 C56 C57 . . . . 177.7(7) ?
P3 C55 C60 C59 . . . . -175.4(7) ?
P3 C55 C60 C61 . . . . 9.0(12) ?
P3 C69 C70 C71 . . . . 176.8(7) ?
P3 C69 C74 C73 . . . . -176.1(7) ?
P3 C75 C76 C77 . . . . 177.2(10) ?
P3 C75 C80 C79 . . . . -174.0(12) ?
O2 C10 C11 C12 . . . . 178.6(8) ?
O4 C36 C37 C38 . . . . -179.3(12) ?
O6 C62 C63 C64 . . . . 180.0(9) ?
C3 P1 C17 C18 . . . . 57.9(7) ?
C3 P1 C17 C22 . . . . -68.1(7) ?
C3 P1 C23 C24 . . . . -178.5(6) ?
C3 P1 C23 C28 . . . . 59.7(7) ?
C3 C4 C5 C6 . . . . -0.8(14) ?
C3 C8 C9 C10 . . . . 75.4(11) ?
C3 C8 C9 C14 . . . . -110.5(10) ?
C4 C3 C8 C7 . . . . 0.2(12) ?
C4 C3 C8 C9 . . . . -179.2(8) ?
C4 C5 C6 C7 . . . . 1.7(14) ?
C5 C6 C7 C8 . . . . -1.7(13) ?
C6 C7 C8 C3 . . . . 0.7(12) ?
C6 C7 C8 C9 . . . . -179.8(8) ?
C7 C8 C9 C10 . . . . -104.1(9) ?
C7 C8 C9 C14 . . . . 70.1(10) ?
C8 C3 C4 C5 . . . . -0.2(13) ?
C8 C9 C10 O2 . . . . -3.3(11) ?
C8 C9 C10 C11 . . . . 177.1(7) ?
C8 C9 C14 O3 . . . . 2.8(11) ?
C8 C9 C14 C13 . . . . -176.9(8) ?
C9 C10 C11 C12 . . . . -1.9(12) ?
C10 C9 C14 O3 . . . . 177.1(7) ?
C10 C9 C14 C13 . . . . -2.5(12) ?
C10 C11 C12 C13 . . . . 0.3(14) ?
C11 C12 C13 C14 . . . . 0.1(14) ?
C12 C13 C14 O3 . . . . -178.5(8) ?
C12 C13 C14 C9 . . . . 1.1(13) ?
C14 C9 C10 O2 . . . . -177.5(7) ?
C14 C9 C10 C11 . . . . 2.9(12) ?
C15 O2 C10 C9 . . . . -172.4(7) ?
C15 O2 C10 C11 . . . . 7.2(12) ?
C16 O3 C14 C9 . . . . 170.5(8) ?
C16 O3 C14 C13 . . . . -9.8(12) ?
C17 P1 C3 C4 . . . . -74.6(7) ?
C17 P1 C3 C8 . . . . 97.4(7) ?
C17 P1 C23 C24 . . . . -68.2(7) ?
C17 P1 C23 C28 . . . . 170.0(6) ?
C17 C18 C19 C20 . . . . 56.0(11) ?
C18 C17 C22 C21 . . . . 56.1(10) ?
C18 C19 C20 C21 . . . . -54.9(12) ?
C19 C20 C21 C22 . . . . 53.1(12) ?
C20 C21 C22 C17 . . . . -54.4(12) ?
C22 C17 C18 C19 . . . . -56.2(10) ?
C23 P1 C3 C4 . . . . 36.4(8) ?
C23 P1 C3 C8 . . . . -151.5(7) ?
C23 P1 C17 C18 . . . . -52.0(7) ?
C23 P1 C17 C22 . . . . -178.0(6) ?
C23 C24 C25 C26 . . . . 56.7(10) ?
C24 C23 C28 C27 . . . . 59.8(9) ?
C24 C25 C26 C27 . . . . -53.5(10) ?
C25 C26 C27 C28 . . . . 53.8(11) ?
C26 C27 C28 C23 . . . . -57.6(10) ?
C28 C23 C24 C25 . . . . -59.4(9) ?
C29 P2 C43 C44 . . . . 68.8(7) ?
C29 P2 C43 C48 . . . . -169.6(7) ?
C29 P2 C49 C50 . . . . 62.4(8) ?
C29 P2 C49 C54 . . . . -65.3(8) ?
C29 C30 C31 C32 . . . . -0.4(16) ?
C29 C34 C35 C36 . . . . 85.6(13) ?
C29 C34 C35 C40 . . . . -99.8(12) ?
C30 C29 C34 C33 . . . . 5.4(15) ?
C30 C29 C34 C35 . . . . -172.3(10) ?
C30 C31 C32 C33 . . . . 2.5(17) ?
C31 C32 C33 C34 . . . . -0.5(18) ?
C32 C33 C34 C29 . . . . -3.5(17) ?
C32 C33 C34 C35 . . . . 174.3(11) ?
C33 C34 C35 C36 . . . . -92.2(13) ?
C33 C34 C35 C40 . . . . 82.5(13) ?
C34 C29 C30 C31 . . . . -3.5(15) ?
C34 C35 C36 O4 . . . . -3.6(16) ?
C34 C35 C36 C37 . . . . 179.3(12) ?
C34 C35 C40 O5 . . . . 4.4(14) ?
C34 C35 C40 C39 . . . . -178.6(9) ?
C35 C36 C37 C38 . . . . -2(2) ?
C36 C35 C40 O5 . . . . 179.2(10) ?
C36 C35 C40 C39 . . . . -3.8(16) ?
C36 C37 C38 C39 . . . . -1(2) ?
C37 C38 C39 C40 . . . . 1.1(18) ?
C38 C39 C40 O5 . . . . 177.9(10) ?
C38 C39 C40 C35 . . . . 1.2(16) ?
C40 C35 C36 O4 . . . . -178.5(11) ?
C40 C35 C36 C37 . . . . 4.4(18) ?
C41 O4 C36 C35 . . . . 122(2) ?
C41 O4 C36 C37 . . . . -61(3) ?
C42 O5 C40 C35 . . . . 175.4(11) ?
C42 O5 C40 C39 . . . . -1.5(17) ?
C43 P2 C29 C30 . . . . 55.1(8) ?
C43 P2 C29 C34 . . . . -129.1(8) ?
C43 P2 C49 C50 . . . . -48.9(8) ?
C43 P2 C49 C54 . . . . -176.6(7) ?
C43 C44 C45 C46 . . . . -57.7(12) ?
C44 C43 C48 C47 . . . . -56.1(11) ?
C44 C45 C46 C47 . . . . 55.9(12) ?
C45 C46 C47 C48 . . . . -55.7(12) ?
C46 C47 C48 C43 . . . . 56.2(12) ?
C48 C43 C44 C45 . . . . 57.5(10) ?
C49 P2 C29 C30 . . . . -59.2(8) ?
C49 P2 C29 C34 . . . . 116.6(9) ?
C49 P2 C43 C44 . . . . -179.7(6) ?
C49 P2 C43 C48 . . . . -58.1(8) ?
C49 C50 C51 C52 . . . . 57.7(12) ?
C50 C49 C54 C53 . . . . 57.0(11) ?
C50 C51 C52 C53 . . . . -55.9(13) ?
C51 C52 C53 C54 . . . . 55.0(12) ?
C52 C53 C54 C49 . . . . -55.5(11) ?
C54 C49 C50 C51 . . . . -58.2(11) ?
C55 P3 C69 C70 . . . . 179.4(7) ?
C55 P3 C69 C74 . . . . 56.6(7) ?
C55 P3 C75 C76 . . . . 40.3(10) ?
C55 P3 C75 C80 . . . . -92.8(12) ?
C55 C56 C57 C58 . . . . -1.3(15) ?
C55 C60 C61 C62 . . . . -105.9(11) ?
C55 C60 C61 C66 . . . . 79.5(12) ?
C56 C55 C60 C59 . . . . 1.1(13) ?
C56 C55 C60 C61 . . . . -174.5(8) ?
C56 C57 C58 C59 . . . . -0.4(15) ?
C57 C58 C59 C60 . . . . 2.6(16) ?
C58 C59 C60 C55 . . . . -2.9(15) ?
C58 C59 C60 C61 . . . . 173.0(9) ?
C59 C60 C61 C62 . . . . 78.5(12) ?
C59 C60 C61 C66 . . . . -96.1(10) ?
C60 C55 C56 C57 . . . . 1.0(14) ?
C60 C61 C62 O6 . . . . 4.7(13) ?
C60 C61 C62 C63 . . . . -173.3(9) ?
C60 C61 C66 O7 . . . . -4.1(12) ?
C60 C61 C66 C65 . . . . 174.6(9) ?
C61 C62 C63 C64 . . . . -2.2(15) ?
C62 C61 C66 O7 . . . . -178.9(8) ?
C62 C61 C66 C65 . . . . -0.3(14) ?
C62 C63 C64 C65 . . . . 2.1(15) ?
C63 C64 C65 C66 . . . . -1.1(15) ?
C64 C65 C66 O7 . . . . 178.6(9) ?
C64 C65 C66 C61 . . . . 0.1(14) ?
C66 C61 C62 O6 . . . . 179.3(8) ?
C66 C61 C62 C63 . . . . 1.3(14) ?
C67 O6 C62 C61 . . . . 172.9(9) ?
C67 O6 C62 C63 . . . . -9.2(14) ?
C68 O7 C66 C61 . . . . -175.1(9) ?
C68 O7 C66 C65 . . . . 6.3(14) ?
C69 P3 C55 C56 . . . . 29.3(8) ?
C69 P3 C55 C60 . . . . -154.2(7) ?
C69 P3 C75 C76 . . . . -68.7(10) ?
C69 P3 C75 C80 . . . . 158.2(12) ?
C69 C70 C71 C72 . . . . 55.0(12) ?
C70 C69 C74 C73 . . . . 60.1(10) ?
C70 C71 C72 C73 . . . . -51.6(12) ?
C71 C72 C73 C74 . . . . 51.4(12) ?
C72 C73 C74 C69 . . . . -55.8(12) ?
C74 C69 C70 C71 . . . . -59.1(10) ?
C75 P3 C55 C56 . . . . -79.1(8) ?
C75 P3 C55 C60 . . . . 97.4(8) ?
C75 P3 C69 C70 . . . . -71.0(8) ?
C75 P3 C69 C74 . . . . 166.2(7) ?
C75 C76 C77 C78 . . . . 49(2) ?
C76 C75 C80 C79 . . . . 51(2) ?
C76 C77 C78 C79 . . . . -51(2) ?
C77 C78 C79 C80 . . . . 52(2) ?
C78 C79 C80 C75 . . . . -51(2) ?
C80 C75 C76 C77 . . . . -48.9(17) ?
O1A S1A N1A S2A . . . . 10.1(11) ?
O1A S1A C1A F1A . . . . 173.3(10) ?
O1A S1A C1A F2A . . . . 51.0(10) ?
O1A S1A C1A F3A . . . . -65.6(10) ?
O2A S1A N1A S2A . . . . 149.6(8) ?
O2A S1A C1A F1A . . . . 46.2(11) ?
O2A S1A C1A F2A . . . . -76.1(10) ?
O2A S1A C1A F3A . . . . 167.3(9) ?
O3A S2A N1A S1A . . . . 17.2(10) ?
O3A S2A C2A F4A . . . . 173.8(10) ?
O3A S2A C2A F5A . . . . -66.3(10) ?
O3A S2A C2A F6A . . . . 50.4(10) ?
O4A S2A N1A S1A . . . . -126.4(8) ?
O4A S2A C2A F4A . . . . -60.4(11) ?
O4A S2A C2A F5A . . . . 59.5(9) ?
O4A S2A C2A F6A . . . . 176.2(8) ?
N1A S1A C1A F1A . . . . -65.1(11) ?
N1A S1A C1A F2A . . . . 172.6(9) ?
N1A S1A C1A F3A . . . . 56.0(10) ?
N1A S2A C2A F4A . . . . 54.2(11) ?
N1A S2A C2A F5A . . . . 174.1(8) ?
N1A S2A C2A F6A . . . . -69.2(9) ?
C1A S1A N1A S2A . . . . -103.8(9) ?
C2A S2A N1A S1A . . . . 127.1(8) ?

_cod_database_fobs_code 2243811
