#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:26:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179377 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/74/4327411.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_4327411
loop_
_publ_author_name
'José Vicente'
'Pablo González-Herrero'
'Yolanda García-Sánchez'
'Peter G. Jones'
'Manuel Bardají'
_publ_section_title
;
 (Fluoren-9-ylidene)methanedithiolato Complexes of Gold: Synthesis,
 Luminescence, and Charge-Transfer Adducts1
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7516
_journal_page_last               7531
_journal_paper_doi               10.1021/ic049132+
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C59 H56 Au2 Cl2 P2 S2'
_chemical_formula_weight         1355.93
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.004(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.380(2)
_cell_length_b                   19.4509(14)
_cell_length_c                   25.424(2)
_cell_measurement_reflns_used    7044
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      29.2
_cell_measurement_theta_min      2.2
_cell_volume                     11386.1(16)
_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      133(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'ω- & φ-scan'
_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  0.0551
_diffrn_reflns_av_sigmaI/netI    0.0516
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            118174
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    5.407
_exptl_absorpt_correction_T_max  0.648
_exptl_absorpt_correction_T_min  0.469
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_description       tablet
_exptl_crystal_F_000             5312
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.227
_refine_diff_density_min         -0.910
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.902
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         16669
_refine_ls_number_restraints     183
_refine_ls_restrained_S_all      0.897
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0273
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0255P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0531
_refine_ls_wR_factor_ref         0.0558
_reflns_number_gt                11921
_reflns_number_total             16669
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0491322Bsi20040702_065505_3.cif
_cod_data_source_block           ecki
_cod_original_cell_volume        11386.0(16)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4327411
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au1 Au 0.179881(5) 0.487620(6) 0.199004(4) 0.02067(3) Uani 1 1 d .
Au2 Au 0.164463(5) 0.332021(6) 0.180680(5) 0.02187(3) Uani 1 1 d .
P1 P 0.11810(3) 0.55560(4) 0.14432(3) 0.02045(16) Uani 1 1 d .
P2 P 0.20196(4) 0.29826(4) 0.10886(3) 0.02263(17) Uani 1 1 d .
S1 S 0.24423(3) 0.43138(4) 0.26425(3) 0.02323(16) Uani 1 1 d .
S2 S 0.13179(3) 0.35398(4) 0.26004(3) 0.02516(17) Uani 1 1 d .
C1 C 0.31229(13) 0.43428(15) 0.38179(12) 0.0240(7) Uani 1 1 d U
H1 H 0.3133 0.4534 0.3476 0.029 Uiso 1 1 calc R
C2 C 0.35961(14) 0.44361(16) 0.42242(13) 0.0284(7) Uani 1 1 d U
C3 C 0.35626(16) 0.41597(16) 0.47304(13) 0.0325(8) Uani 1 1 d U
H3 H 0.3883 0.4215 0.5013 0.039 Uiso 1 1 calc R
C4 C 0.30775(15) 0.38116(17) 0.48273(12) 0.0308(7) Uani 1 1 d U
H4 H 0.3060 0.3642 0.5175 0.037 Uiso 1 1 calc R
C4A C 0.26143(14) 0.37119(15) 0.44119(11) 0.0236(7) Uani 1 1 d U
C4B C 0.20710(14) 0.33443(15) 0.43992(12) 0.0249(7) Uani 1 1 d U
C5 C 0.18442(16) 0.30113(17) 0.47992(13) 0.0327(8) Uani 1 1 d U
H5 H 0.2060 0.2992 0.5152 0.039 Uiso 1 1 calc R
C6 C 0.13021(16) 0.27078(17) 0.46821(14) 0.0343(8) Uani 1 1 d U
H6 H 0.1151 0.2476 0.4957 0.041 Uiso 1 1 calc R
C7 C 0.09713(15) 0.27328(16) 0.41706(14) 0.0305(7) Uani 1 1 d U
C8 C 0.12014(14) 0.30717(15) 0.37668(13) 0.0265(7) Uani 1 1 d U
H8 H 0.0980 0.3095 0.3416 0.032 Uiso 1 1 calc R
C8A C 0.17502(14) 0.33749(14) 0.38726(12) 0.0224(6) Uani 1 1 d U
C9 C 0.20967(13) 0.37650(15) 0.35298(12) 0.0209(6) Uani 1 1 d U
C9A C 0.26349(14) 0.39770(15) 0.38974(12) 0.0234(7) Uani 1 1 d U
C10 C 0.19630(13) 0.38666(14) 0.29923(11) 0.0201(6) Uani 1 1 d U
C11 C 0.41487(15) 0.48051(19) 0.41274(14) 0.0380(8) Uani 1 1 d U
C12 C 0.41082(18) 0.5056(2) 0.35570(17) 0.0653(14) Uani 1 1 d U
H12A H 0.4017 0.4668 0.3311 0.078 Uiso 1 1 calc R
H12B H 0.4480 0.5259 0.3511 0.078 Uiso 1 1 calc R
H12C H 0.3801 0.5403 0.3481 0.078 Uiso 1 1 calc R
C13 C 0.4278(2) 0.5410(2) 0.4505(2) 0.0828(17) Uani 1 1 d U
H13A H 0.3949 0.5729 0.4448 0.099 Uiso 1 1 calc R
H13B H 0.4627 0.5648 0.4436 0.099 Uiso 1 1 calc R
H13C H 0.4342 0.5245 0.4874 0.099 Uiso 1 1 calc R
C14 C 0.46593(18) 0.4290(2) 0.4213(2) 0.0702(14) Uani 1 1 d U
H14A H 0.4569 0.3902 0.3967 0.084 Uiso 1 1 calc R
H14B H 0.4721 0.4122 0.4582 0.084 Uiso 1 1 calc R
H14C H 0.5012 0.4520 0.4145 0.084 Uiso 1 1 calc R
C15 C 0.03777(16) 0.23883(19) 0.40321(16) 0.0410(9) Uani 1 1 d U
C16 C 0.0144(2) 0.2182(3) 0.45437(19) 0.0755(15) Uani 1 1 d U
H16A H 0.0093 0.2594 0.4752 0.091 Uiso 1 1 calc R
H16B H 0.0421 0.1871 0.4759 0.091 Uiso 1 1 calc R
H16C H -0.0231 0.1948 0.4444 0.091 Uiso 1 1 calc R
C17 C 0.0434(2) 0.1735(3) 0.3727(2) 0.092(2) Uani 1 1 d U
H17A H 0.0052 0.1517 0.3634 0.111 Uiso 1 1 calc R
H17B H 0.0701 0.1421 0.3949 0.111 Uiso 1 1 calc R
H17C H 0.0584 0.1842 0.3400 0.111 Uiso 1 1 calc R
C18 C -0.00613(19) 0.2874(3) 0.3737(2) 0.097(2) Uani 1 1 d U
H18A H -0.0079 0.3290 0.3951 0.116 Uiso 1 1 calc R
H18B H -0.0443 0.2652 0.3671 0.116 Uiso 1 1 calc R
H18C H 0.0051 0.2997 0.3395 0.116 Uiso 1 1 calc R
C21 C 0.25690(13) 0.35821(16) 0.09461(12) 0.0258(7) Uani 1 1 d DU
C22 C 0.29373(16) 0.3867(2) 0.13739(15) 0.0453(10) Uani 1 1 d DU
H22 H 0.2915 0.3723 0.1727 0.054 Uiso 1 1 calc R
C23 C 0.33435(19) 0.4367(2) 0.12916(17) 0.0623(13) Uani 1 1 d DU
H23 H 0.3593 0.4565 0.1588 0.075 Uiso 1 1 calc R
C24 C 0.33800(17) 0.4571(2) 0.07810(16) 0.0482(10) Uani 1 1 d DU
H24 H 0.3655 0.4911 0.0725 0.058 Uiso 1 1 calc R
C25 C 0.30233(16) 0.42869(17) 0.03546(15) 0.0373(8) Uani 1 1 d DU
H25 H 0.3053 0.4427 0.0002 0.045 Uiso 1 1 calc R
C26 C 0.26158(14) 0.37925(16) 0.04340(13) 0.0292(7) Uani 1 1 d DU
H26 H 0.2368 0.3598 0.0135 0.035 Uiso 1 1 calc R
C31 C 0.15126(13) 0.28875(15) 0.04689(12) 0.0230(6) Uani 1 1 d DU
C32 C 0.14318(14) 0.22666(16) 0.01911(12) 0.0275(7) Uani 1 1 d DU
H32 H 0.1648 0.1872 0.0328 0.033 Uiso 1 1 calc R
C33 C 0.10375(15) 0.22210(18) -0.02843(13) 0.0351(8) Uani 1 1 d DU
H33 H 0.0980 0.1794 -0.0467 0.042 Uiso 1 1 calc R
C34 C 0.07315(15) 0.27896(19) -0.04912(14) 0.0391(9) Uani 1 1 d DU
H34 H 0.0470 0.2757 -0.0821 0.047 Uiso 1 1 calc R
C35 C 0.08021(15) 0.34106(19) -0.02212(15) 0.0385(9) Uani 1 1 d DU
H35 H 0.0591 0.3804 -0.0365 0.046 Uiso 1 1 calc R
C36 C 0.11832(14) 0.34542(17) 0.02608(14) 0.0327(8) Uani 1 1 d DU
H36 H 0.1220 0.3876 0.0452 0.039 Uiso 1 1 calc R
C41 C 0.23724(13) 0.21522(15) 0.12103(11) 0.0232(6) Uani 1 1 d DU
C42 C 0.28306(14) 0.19446(17) 0.09619(13) 0.0299(7) Uani 1 1 d DU
H42 H 0.2984 0.2251 0.0730 0.036 Uiso 1 1 calc R
C43 C 0.30613(15) 0.12925(17) 0.10529(14) 0.0355(8) Uani 1 1 d DU
H43 H 0.3373 0.1153 0.0882 0.043 Uiso 1 1 calc R
C44 C 0.28450(15) 0.08442(17) 0.13876(13) 0.0338(8) Uani 1 1 d DU
H44 H 0.3001 0.0394 0.1441 0.041 Uiso 1 1 calc R
C45 C 0.24005(15) 0.10499(16) 0.16455(13) 0.0328(8) Uani 1 1 d DU
H45 H 0.2258 0.0745 0.1885 0.039 Uiso 1 1 calc R
C46 C 0.21633(14) 0.16967(16) 0.15557(12) 0.0284(7) Uani 1 1 d DU
H46 H 0.1854 0.1834 0.1731 0.034 Uiso 1 1 calc R
C51 C 0.11575(13) 0.54474(14) 0.07318(11) 0.0208(6) Uani 1 1 d DU
C52 C 0.06508(14) 0.55484(17) 0.03640(13) 0.0324(8) Uani 1 1 d DU
H52 H 0.0299 0.5657 0.0485 0.039 Uiso 1 1 calc R
C53 C 0.06547(16) 0.54916(18) -0.01793(13) 0.0361(8) Uani 1 1 d DU
H53 H 0.0307 0.5562 -0.0428 0.043 Uiso 1 1 calc R
C54 C 0.11611(15) 0.53345(16) -0.03573(13) 0.0329(8) Uani 1 1 d DU
H54 H 0.1164 0.5301 -0.0730 0.040 Uiso 1 1 calc R
C55 C 0.16627(15) 0.52264(16) 0.00007(13) 0.0316(8) Uani 1 1 d DU
H55 H 0.2012 0.5116 -0.0124 0.038 Uiso 1 1 calc R
C56 C 0.16633(13) 0.52775(15) 0.05459(12) 0.0247(7) Uani 1 1 d DU
H56 H 0.2011 0.5196 0.0792 0.030 Uiso 1 1 calc R
C61 C 0.13418(13) 0.64538(15) 0.15807(11) 0.0230(6) Uani 1 1 d DU
C62 C 0.15209(16) 0.66538(17) 0.21120(13) 0.0369(8) Uani 1 1 d DU
H62 H 0.1559 0.6320 0.2388 0.044 Uiso 1 1 calc R
C63 C 0.16431(17) 0.73362(18) 0.22372(14) 0.0419(9) Uani 1 1 d DU
H63 H 0.1758 0.7470 0.2599 0.050 Uiso 1 1 calc R
C64 C 0.15979(17) 0.78220(18) 0.18382(14) 0.0426(9) Uani 1 1 d DU
H64 H 0.1688 0.8289 0.1925 0.051 Uiso 1 1 calc R
C65 C 0.14219(17) 0.76329(17) 0.13129(14) 0.0416(9) Uani 1 1 d DU
H65 H 0.1389 0.7971 0.1040 0.050 Uiso 1 1 calc R
C66 C 0.12925(15) 0.69536(16) 0.11805(13) 0.0306(8) Uani 1 1 d DU
H66 H 0.1170 0.6827 0.0818 0.037 Uiso 1 1 calc R
C71 C 0.04451(13) 0.54377(15) 0.15708(11) 0.0218(6) Uani 1 1 d DU
C72 C 0.00815(15) 0.59883(17) 0.16307(13) 0.0333(8) Uani 1 1 d DU
H72 H 0.0201 0.6445 0.1572 0.040 Uiso 1 1 calc R
C73 C -0.04588(16) 0.5868(2) 0.17771(15) 0.0422(9) Uani 1 1 d DU
H73 H -0.0706 0.6244 0.1818 0.051 Uiso 1 1 calc R
C74 C -0.06333(15) 0.52127(19) 0.18615(13) 0.0368(8) Uani 1 1 d DU
H74 H -0.0999 0.5134 0.1966 0.044 Uiso 1 1 calc R
C75 C -0.02774(15) 0.46682(19) 0.17942(14) 0.0364(8) Uani 1 1 d DU
H75 H -0.0404 0.4213 0.1845 0.044 Uiso 1 1 calc R
C76 C 0.02580(14) 0.47717(17) 0.16539(13) 0.0295(7) Uani 1 1 d DU
H76 H 0.0500 0.4390 0.1614 0.035 Uiso 1 1 calc R
C99 C 0.3087(2) 0.3284(2) 0.69136(17) 0.0604(12) Uani 1 1 d .
H99A H 0.2740 0.3212 0.7082 0.072 Uiso 1 1 calc R
H99B H 0.3266 0.2829 0.6879 0.072 Uiso 1 1 calc R
Cl1 Cl 0.28671(6) 0.36241(8) 0.62824(5) 0.0871(4) Uani 1 1 d .
Cl2 Cl 0.35738(8) 0.37887(9) 0.73287(6) 0.1073(6) 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'
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'
Cl Cl 0.1484 0.1585 '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
P1 Au1 S1 171.34(3) y
P1 Au1 Au2 116.03(2) y
S1 Au1 Au2 71.78(2) y
P2 Au2 S2 172.44(3) y
P2 Au2 Au1 110.94(2) y
S2 Au2 Au1 74.59(2) y
C61 P1 C51 105.96(13) y
C61 P1 C71 105.00(14) y
C51 P1 C71 107.31(13) y
C61 P1 Au1 111.00(10) y
C51 P1 Au1 116.93(10) y
C71 P1 Au1 109.91(10) y
C31 P2 C41 105.49(14) y
C31 P2 C21 105.71(14) y
C41 P2 C21 106.79(14) y
C31 P2 Au2 116.53(10) y
C41 P2 Au2 110.49(10) y
C21 P2 Au2 111.23(10) y
C10 S1 Au1 101.69(10) y
C10 S2 Au2 100.27(10) y
C2 C1 C9A 121.8(3) y
C1 C2 C3 117.8(3) y
C1 C2 C11 121.7(3) y
C3 C2 C11 120.5(3) y
C4 C3 C2 121.9(3) y
C3 C4 C4A 119.3(3) y
C4 C4A C9A 120.3(3) y
C4 C4A C4B 130.4(3) y
C9A C4A C4B 109.2(3) y
C5 C4B C8A 120.3(3) y
C5 C4B C4A 131.1(3) y
C8A C4B C4A 108.5(3) y
C6 C5 C4B 119.6(3) y
C5 C6 C7 121.7(3) y
C6 C7 C8 118.5(3) y
C6 C7 C15 122.3(3) y
C8 C7 C15 119.1(3) y
C8A C8 C7 120.9(3) y
C8 C8A C4B 118.8(3) y
C8 C8A C9 132.5(3) y
C4B C8A C9 108.7(3) y
C10 C9 C9A 127.7(3) y
C10 C9 C8A 127.2(3) y
C9A C9 C8A 105.0(2) y
C1 C9A C4A 118.8(3) y
C1 C9A C9 132.6(3) y
C4A C9A C9 108.6(3) y
C9 C10 S2 122.4(2) y
C9 C10 S1 121.3(2) y
S2 C10 S1 116.31(16) y
C13 C11 C12 109.1(4) ?
C13 C11 C2 110.0(3) ?
C12 C11 C2 112.9(3) ?
C13 C11 C14 110.5(4) ?
C12 C11 C14 105.2(4) ?
C2 C11 C14 109.0(3) ?
C18 C15 C17 112.8(4) ?
C18 C15 C7 110.8(3) ?
C17 C15 C7 109.4(3) ?
C18 C15 C16 105.9(3) ?
C17 C15 C16 106.7(4) ?
C7 C15 C16 111.1(3) ?
C22 C21 C26 118.7(3) ?
C22 C21 P2 117.8(2) ?
C26 C21 P2 123.4(2) ?
C21 C22 C23 120.5(3) ?
C24 C23 C22 119.8(4) ?
C25 C24 C23 120.3(4) ?
C24 C25 C26 120.2(3) ?
C21 C26 C25 120.5(3) ?
C36 C31 C32 118.3(3) ?
C36 C31 P2 119.0(2) ?
C32 C31 P2 122.7(2) ?
C33 C32 C31 120.4(3) ?
C34 C33 C32 120.3(3) ?
C33 C34 C35 120.3(3) ?
C34 C35 C36 119.6(3) ?
C35 C36 C31 120.9(3) ?
C46 C41 C42 118.8(3) ?
C46 C41 P2 118.3(2) ?
C42 C41 P2 122.9(2) ?
C43 C42 C41 119.9(3) ?
C44 C43 C42 120.7(3) ?
C43 C44 C45 119.9(3) ?
C46 C45 C44 120.0(3) ?
C45 C46 C41 120.6(3) ?
C56 C51 C52 118.8(3) ?
C56 C51 P1 119.2(2) ?
C52 C51 P1 122.0(2) ?
C53 C52 C51 120.4(3) ?
C54 C53 C52 120.1(3) ?
C55 C54 C53 120.2(3) ?
C54 C55 C56 120.3(3) ?
C51 C56 C55 120.2(3) ?
C66 C61 C62 118.9(3) ?
C66 C61 P1 122.9(2) ?
C62 C61 P1 118.2(2) ?
C63 C62 C61 120.3(3) ?
C64 C63 C62 120.2(3) ?
C63 C64 C65 120.2(3) ?
C64 C65 C66 120.4(3) ?
C65 C66 C61 120.0(3) ?
C72 C71 C76 119.0(3) ?
C72 C71 P1 122.4(2) ?
C76 C71 P1 118.4(2) ?
C71 C72 C73 119.9(3) ?
C74 C73 C72 120.4(3) ?
C73 C74 C75 119.7(3) ?
C76 C75 C74 121.1(3) ?
C75 C76 C71 119.9(3) ?
Cl2 C99 Cl1 114.2(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 P1 2.2517(8) y
Au1 S1 2.3118(8) y
Au1 Au2 3.0738(3) y
Au2 P2 2.2561(8) y
Au2 S2 2.3180(8) y
P1 C61 1.808(3) y
P1 C51 1.812(3) y
P1 C71 1.820(3) y
P2 C31 1.809(3) y
P2 C41 1.815(3) y
P2 C21 1.817(3) y
S1 C10 1.775(3) y
S2 C10 1.775(3) y
C1 C2 1.388(4) y
C1 C9A 1.389(4) y
C2 C3 1.409(4) y
C2 C11 1.535(5) y
C3 C4 1.379(5) y
C4 C4A 1.389(4) y
C4A C9A 1.415(4) y
C4A C4B 1.453(4) y
C4B C5 1.387(4) y
C4B C8A 1.418(4) y
C5 C6 1.383(5) y
C6 C7 1.394(5) y
C7 C8 1.403(4) y
C7 C15 1.526(5) y
C8 C8A 1.395(4) y
C8A C9 1.496(4) y
C9 C10 1.362(4) y
C9 C9A 1.489(4) y
C11 C13 1.515(5) ?
C11 C12 1.517(5) ?
C11 C14 1.544(5) ?
C15 C18 1.497(6) ?
C15 C17 1.506(5) ?
C15 C16 1.549(5) ?
C21 C22 1.381(4) ?
C21 C26 1.387(4) ?
C22 C23 1.401(5) ?
C23 C24 1.374(5) ?
C24 C25 1.364(5) ?
C25 C26 1.393(4) ?
C31 C36 1.395(4) ?
C31 C32 1.395(4) ?
C32 C33 1.390(4) ?
C33 C34 1.371(5) ?
C34 C35 1.385(5) ?
C35 C36 1.387(5) ?
C41 C46 1.394(4) ?
C41 C42 1.394(4) ?
C42 C43 1.382(4) ?
C43 C44 1.375(4) ?
C44 C45 1.381(4) ?
C45 C46 1.378(4) ?
C51 C56 1.388(4) ?
C51 C52 1.390(4) ?
C52 C53 1.387(4) ?
C53 C54 1.373(5) ?
C54 C55 1.370(5) ?
C55 C56 1.389(4) ?
C61 C66 1.398(4) ?
C61 C62 1.398(4) ?
C62 C63 1.383(4) ?
C63 C64 1.377(5) ?
C64 C65 1.378(5) ?
C65 C66 1.384(4) ?
C71 C72 1.392(4) ?
C71 C76 1.395(4) ?
C72 C73 1.397(5) ?
C73 C74 1.367(5) ?
C74 C75 1.376(5) ?
C75 C76 1.375(4) ?
C99 Cl2 1.719(5) ?
C99 Cl1 1.729(4) ?
