#------------------------------------------------------------------------------
#$Date: 2019-11-03 16:29:32 +0200 (Sun, 03 Nov 2019) $
#$Revision: 221875 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/88/4128810.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_4128810
loop_
_publ_author_name
'Suyama, Megumi'
'Takano, Shinjiro'
'Nakamura, Toshikazu'
'Tsukuda, Tatsuya'
_publ_section_title
;
 Stoichiometric Formation of Open-Shell
 [PtAu₂₄(SC₂H₄Ph)₁₈]⁻
 via Spontaneous Electron Proportionation between
 [PtAu₂₄(SC₂H₄Ph)₁₈]²⁻
 and
 [PtAu₂₄(SC₂H₄Ph)₁₈]⁰.
;
_journal_issue                   36
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14048
_journal_page_last               14051
_journal_paper_doi               10.1021/jacs.9b06254
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C176 H230 Au24 N Pt S18'
_chemical_formula_weight         7858.96
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                106.541(2)
_cell_angle_beta                 105.313(2)
_cell_angle_gamma                90.983(2)
_cell_formula_units_Z            1
_cell_length_a                   16.136(2)
_cell_length_b                   17.350(2)
_cell_length_c                   18.583(2)
_cell_measurement_reflns_used    14021
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      2.6
_cell_volume                     4786.1(10)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Rigaku AFC11 with Saturn724+'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0486
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            69806
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.125
_diffrn_reflns_theta_min         2.565
_diffrn_source                   'Rotating anode'
_exptl_absorpt_coefficient_mu    19.276
_exptl_absorpt_correction_T_max  0.720
_exptl_absorpt_correction_T_min  0.395
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    2.727
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             3555
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.023
_refine_diff_density_min         -1.827
_refine_diff_density_rms         0.222
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     869
_refine_ls_number_reflns         20711
_refine_ls_number_restraints     113
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0207P)²+15.1581P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
_refine_ls_wR_factor_ref         0.0724
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18623
_reflns_number_total             20711
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b06254_si_003.cif
_cod_data_source_block           shelxs
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Numerical' was
changed to 'numerical' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        4786.0(10)
_cod_database_code               4128810
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.09626(2) 0.59525(2) 0.14463(2) 0.02541(7) Uani 1 1 d . . . . .
Au2 Au -0.00958(2) 0.44817(2) 0.12491(2) 0.02414(7) Uani 1 1 d . . . . .
Au3 Au -0.09559(2) 0.58157(2) 0.09500(2) 0.02557(7) Uani 1 1 d . . . . .
Au4 Au 0.00225(2) 0.66460(2) 0.02043(2) 0.02402(7) Uani 1 1 d . . . . .
Au5 Au 0.15515(2) 0.57897(2) 0.01330(2) 0.02425(7) Uani 1 1 d . . . . .
Au6 Au -0.14515(2) 0.56094(2) -0.07291(2) 0.02523(7) Uani 1 1 d . . . . .
Au7 Au -0.00781(2) 0.59935(2) 0.26970(2) 0.02702(7) Uani 1 1 d . . . . .
Au8 Au -0.08654(2) 0.70896(2) -0.13142(2) 0.02898(7) Uani 1 1 d . . . . .
Au9 Au -0.18217(2) 0.72439(2) 0.02492(2) 0.03291(8) Uani 1 1 d . . . . .
Au10 Au 0.18526(2) 0.75230(2) 0.13839(2) 0.02722(7) Uani 1 1 d . . . . .
Au11 Au 0.19577(2) 0.53434(2) -0.15194(2) 0.02927(7) Uani 1 1 d . . . . .
Au12 Au -0.29972(2) 0.41669(2) -0.15786(2) 0.02822(7) Uani 1 1 d . . . . .
Pt1 Pt 0.000000 0.500000 0.000000 0.02034(9) Uani 1 2 d S . P . .
S1 S 0.13171(13) 0.64616(11) 0.28185(11) 0.0283(4) Uani 1 1 d . . . . .
S2 S -0.00265(13) 0.63769(11) -0.20621(12) 0.0268(4) Uani 1 1 d . . . . .
S3 S -0.19364(16) 0.67572(14) 0.12719(16) 0.0470(6) Uani 1 1 d . . . . .
S4 S -0.16898(14) 0.79077(12) -0.06350(13) 0.0346(5) Uani 1 1 d . . . . .
S5 S 0.05093(13) 0.79812(11) 0.10263(12) 0.0299(4) Uani 1 1 d . . . . .
S6 S 0.26398(13) 0.62735(13) -0.03310(13) 0.0338(5) Uani 1 1 d . . . . .
S7 S 0.14226(13) 0.44274(12) -0.27464(12) 0.0315(5) Uani 1 1 d . . . . .
S8 S -0.29094(12) 0.55229(12) -0.14932(12) 0.0290(4) Uani 1 1 d . . . . .
S9 S -0.32475(13) 0.27952(12) -0.17965(12) 0.0310(5) Uani 1 1 d . . . . .
C1A C 0.1354(5) 0.7563(4) 0.3079(4) 0.0291(18) Uani 1 1 d . . . . .
H1A1 H 0.183273 0.778047 0.292909 0.035 Uiso 1 1 calc R U . . .
H1A2 H 0.080678 0.771962 0.279135 0.035 Uiso 1 1 calc R U . . .
C1B C 0.1489(7) 0.7921(5) 0.3963(5) 0.047(3) Uani 1 1 d . . . . .
H1B1 H 0.092647 0.790172 0.408161 0.057 Uiso 1 1 calc R U . . .
H1B2 H 0.187076 0.759575 0.424403 0.057 Uiso 1 1 calc R U . . .
C1C C 0.1892(4) 0.8792(3) 0.4242(4) 0.042(2) Uani 1 1 d G . . . .
C1D C 0.1432(3) 0.9392(3) 0.4009(3) 0.044(2) Uani 1 1 d G . . . .
H1D H 0.085460 0.926243 0.368360 0.053 Uiso 1 1 calc R U . . .
C1E C 0.1817(4) 1.0180(3) 0.4253(4) 0.055(3) Uani 1 1 d G . . . .
H1E H 0.150309 1.058969 0.409374 0.066 Uiso 1 1 calc R U . . .
C1F C 0.2662(4) 1.0369(3) 0.4729(4) 0.058(3) Uani 1 1 d G . . . .
H1F H 0.292559 1.090790 0.489569 0.070 Uiso 1 1 calc R U . . .
C1G C 0.3122(3) 0.9770(4) 0.4962(4) 0.060(3) Uani 1 1 d G . . . .
H1G H 0.369962 0.989886 0.528750 0.072 Uiso 1 1 calc R U . . .
C1H C 0.2737(4) 0.8981(3) 0.4718(4) 0.057(3) Uani 1 1 d G . . . .
H1H H 0.305114 0.857158 0.487737 0.069 Uiso 1 1 calc R U . . .
C2A C -0.0784(5) 0.5836(4) -0.3023(4) 0.0317(19) Uani 1 1 d . . . . .
H2A1 H -0.058595 0.530339 -0.323494 0.038 Uiso 1 1 calc R U . . .
H2A2 H -0.136445 0.574216 -0.295939 0.038 Uiso 1 1 calc R U . . .
C2B C -0.0837(5) 0.6335(5) -0.3599(5) 0.0326(19) Uani 1 1 d . . . . .
H2B1 H -0.024645 0.653710 -0.356505 0.039 Uiso 1 1 calc R U . . .
H2B2 H -0.110097 0.598096 -0.413963 0.039 Uiso 1 1 calc R U . . .
C2C C -0.1365(3) 0.7045(3) -0.3430(3) 0.034(2) Uani 1 1 d G . . . .
C2D C -0.2260(3) 0.6911(3) -0.3707(3) 0.044(2) Uani 1 1 d G . . . .
H2D H -0.252922 0.638596 -0.401313 0.053 Uiso 1 1 calc R U . . .
C2E C -0.2761(3) 0.7545(3) -0.3536(4) 0.053(3) Uani 1 1 d G . . . .
H2E H -0.337275 0.745345 -0.372561 0.064 Uiso 1 1 calc R U . . .
C2F C -0.2367(4) 0.8313(3) -0.3089(4) 0.052(3) Uani 1 1 d G . . . .
H2F H -0.270968 0.874632 -0.297180 0.063 Uiso 1 1 calc R U . . .
C2G C -0.1472(4) 0.8447(2) -0.2812(3) 0.049(3) Uani 1 1 d G . . . .
H2G H -0.120308 0.897172 -0.250551 0.059 Uiso 1 1 calc R U . . .
C2H C -0.0971(3) 0.7813(3) -0.2982(3) 0.044(2) Uani 1 1 d G . . . .
H2H H -0.035954 0.790424 -0.279302 0.052 Uiso 1 1 calc R U . . .
C3A C -0.1251(7) 0.7631(5) 0.2126(5) 0.050(3) Uani 1 1 d . . . . .
H3A1 H -0.106054 0.745733 0.260178 0.060 Uiso 1 1 calc R U . . .
H3A2 H -0.073195 0.779859 0.199685 0.060 Uiso 1 1 calc R U . . .
C3B C -0.1792(7) 0.8326(6) 0.2266(7) 0.060(3) Uani 1 1 d . . . . .
H3B1 H -0.206229 0.843241 0.176458 0.072 Uiso 1 1 calc R U . . .
H3B2 H -0.226009 0.817919 0.247128 0.072 Uiso 1 1 calc R U . . .
C3C C -0.1265(5) 0.9075(4) 0.2836(4) 0.057(3) Uani 1 1 d G . . . .
C3D C -0.1275(5) 0.9344(5) 0.3613(4) 0.082(4) Uani 1 1 d G . . . .
H3D H -0.158804 0.902513 0.381141 0.099 Uiso 1 1 calc R U . . .
C3E C -0.0827(6) 1.0079(5) 0.4099(4) 0.079(4) Uani 1 1 d G . . . .
H3E H -0.083436 1.026242 0.463015 0.095 Uiso 1 1 calc R U . . .
C3F C -0.0369(5) 1.0545(4) 0.3808(5) 0.108(6) Uani 1 1 d G . . . .
H3F H -0.006316 1.104755 0.414087 0.130 Uiso 1 1 calc R U . . .
C3G C -0.0359(5) 1.0277(4) 0.3031(6) 0.094(5) Uani 1 1 d G . . . .
H3G H -0.004563 1.059540 0.283284 0.113 Uiso 1 1 calc R U . . .
C3H C -0.0806(5) 0.9542(5) 0.2545(4) 0.068(3) Uani 1 1 d G . . . .
H3H H -0.079931 0.935812 0.201409 0.082 Uiso 1 1 calc R U . . .
C4A C -0.2765(6) 0.7706(5) -0.1359(5) 0.041(2) Uani 1 1 d . . . . .
H4A1 H -0.272817 0.788387 -0.181124 0.049 Uiso 1 1 calc R U . . .
H4A2 H -0.293775 0.711664 -0.155026 0.049 Uiso 1 1 calc R U . . .
C4B C -0.3428(6) 0.8119(6) -0.1034(6) 0.062(3) Uani 1 1 d . . . . .
H4B1 H -0.330085 0.870976 -0.091126 0.074 Uiso 1 1 calc R U . . .
H4B2 H -0.341373 0.799946 -0.054132 0.074 Uiso 1 1 calc R U . . .
C4C C -0.4336(4) 0.7850(4) -0.1612(4) 0.056(3) Uani 1 1 d G . . . .
C4D C -0.4726(5) 0.7077(4) -0.1768(5) 0.085(4) Uani 1 1 d G . . . .
H4D H -0.444409 0.672000 -0.150091 0.102 Uiso 1 1 calc R U . . .
C4E C -0.5528(5) 0.6826(4) -0.2316(6) 0.093(5) Uani 1 1 d G . . . .
H4E H -0.579423 0.629796 -0.242242 0.111 Uiso 1 1 calc R U . . .
C4F C -0.5940(4) 0.7349(7) -0.2707(5) 0.112(6) Uani 1 1 d G . . . .
H4F H -0.648766 0.717721 -0.308107 0.134 Uiso 1 1 calc R U . . .
C4G C -0.5549(6) 0.8122(6) -0.2551(6) 0.130(7) Uani 1 1 d G . . . .
H4G H -0.583096 0.847850 -0.281821 0.156 Uiso 1 1 calc R U . . .
C4H C -0.4747(5) 0.8372(4) -0.2003(6) 0.106(6) Uani 1 1 d G . . . .
H4H H -0.448081 0.890055 -0.189671 0.127 Uiso 1 1 calc R U . . .
C5A C 0.0630(6) 0.8656(5) 0.0461(5) 0.038(2) Uani 1 1 d . . . . .
H5A1 H 0.101135 0.843396 0.012966 0.046 Uiso 1 1 calc R U . . .
H5A2 H 0.005882 0.868959 0.011298 0.046 Uiso 1 1 calc R U . . .
C5B C 0.1020(6) 0.9517(5) 0.1005(5) 0.045(2) Uani 1 1 d . . . . .
H5B1 H 0.100605 0.988250 0.067964 0.054 Uiso 1 1 calc R U . . .
H5B2 H 0.065388 0.972080 0.135652 0.054 Uiso 1 1 calc R U . . .
C5C C 0.1933(3) 0.9544(3) 0.1493(3) 0.038(2) Uani 1 1 d G . . . .
C5D C 0.2602(4) 0.9537(4) 0.1150(3) 0.052(3) Uani 1 1 d G . . . .
H5D H 0.247928 0.952164 0.061645 0.063 Uiso 1 1 calc R U . . .
C5E C 0.3450(4) 0.9552(4) 0.1586(4) 0.062(3) Uani 1 1 d G . . . .
H5E H 0.390711 0.954731 0.135151 0.074 Uiso 1 1 calc R U . . .
C5F C 0.3629(3) 0.9574(4) 0.2366(4) 0.055(3) Uani 1 1 d G . . . .
H5F H 0.420878 0.958473 0.266451 0.067 Uiso 1 1 calc R U . . .
C5G C 0.2960(4) 0.9581(3) 0.2709(3) 0.050(3) Uani 1 1 d G . . . .
H5G H 0.308261 0.959650 0.324245 0.060 Uiso 1 1 calc R U . . .
C5H C 0.2112(4) 0.9566(3) 0.2273(3) 0.043(2) Uani 1 1 d G . . . .
H5H H 0.165477 0.957082 0.250740 0.052 Uiso 1 1 calc R U . . .
C6A C 0.2290(6) 0.7238(5) -0.0443(5) 0.043(2) Uani 1 1 d . . . . .
H6A1 H 0.165498 0.721555 -0.054180 0.052 Uiso 1 1 calc R U . . .
H6A2 H 0.255073 0.766904 0.005441 0.052 Uiso 1 1 calc R U . . .
C6B C 0.2526(8) 0.7461(5) -0.1094(6) 0.063(3) Uani 1 1 d . . . . .
H6B1 H 0.314320 0.739080 -0.105103 0.076 Uiso 1 1 calc R U . . .
H6B2 H 0.218024 0.709154 -0.160226 0.076 Uiso 1 1 calc R U . . .
C6C C 0.2373(6) 0.8316(3) -0.1074(4) 0.063(3) Uani 1 1 d G . . . .
C6D C 0.1538(5) 0.8543(4) -0.1226(4) 0.074(4) Uani 1 1 d G . . . .
H6D H 0.105822 0.814596 -0.139664 0.089 Uiso 1 1 calc R U . . .
C6E C 0.1405(5) 0.9351(5) -0.1128(4) 0.085(4) Uani 1 1 d G . . . .
H6E H 0.083406 0.950677 -0.123216 0.101 Uiso 1 1 calc R U . . .
C6F C 0.2107(7) 0.9933(3) -0.0879(4) 0.086(5) Uani 1 1 d G . . . .
H6F H 0.201594 1.048505 -0.081221 0.103 Uiso 1 1 calc R U . . .
C6G C 0.2942(6) 0.9705(4) -0.0727(4) 0.091(5) Uani 1 1 d G . . . .
H6G H 0.342200 1.010252 -0.055673 0.110 Uiso 1 1 calc R U . . .
C6H C 0.3075(5) 0.8897(5) -0.0825(4) 0.070(4) Uani 1 1 d G . . . .
H6H H 0.364618 0.874170 -0.072120 0.084 Uiso 1 1 calc R U . . .
C7A C 0.1138(6) 0.5100(5) -0.3367(5) 0.039(2) Uani 1 1 d . . . . .
H7A1 H 0.075316 0.478192 -0.388225 0.047 Uiso 1 1 calc R U . . .
H7A2 H 0.080972 0.552564 -0.312328 0.047 Uiso 1 1 calc R U . . .
C7B C 0.1908(6) 0.5499(5) -0.3492(6) 0.046(2) Uani 1 1 d . . . . .
H7B1 H 0.235599 0.572334 -0.298673 0.055 Uiso 1 1 calc R U . . .
H7B2 H 0.215925 0.509543 -0.384805 0.055 Uiso 1 1 calc R U . . .
C7C C 0.1615(4) 0.6165(3) -0.3842(4) 0.041(2) Uani 1 1 d G . . . .
C7D C 0.1707(4) 0.6956(4) -0.3359(3) 0.057(3) Uani 1 1 d G . . . .
H7D H 0.197437 0.707745 -0.281359 0.069 Uiso 1 1 calc R U . . .
C7E C 0.1406(5) 0.7569(3) -0.3674(4) 0.066(3) Uani 1 1 d G . . . .
H7E H 0.146895 0.810996 -0.334375 0.079 Uiso 1 1 calc R U . . .
C7F C 0.1015(5) 0.7392(3) -0.4472(4) 0.098(5) Uani 1 1 d G . . . .
H7F H 0.080954 0.781120 -0.468735 0.117 Uiso 1 1 calc R U . . .
C7G C 0.0923(5) 0.6601(4) -0.4955(3) 0.084(4) Uani 1 1 d G . . . .
H7G H 0.065554 0.647994 -0.550080 0.100 Uiso 1 1 calc R U . . .
C7H C 0.1223(5) 0.5988(3) -0.4640(3) 0.057(3) Uani 1 1 d G . . . .
H7H H 0.116095 0.544741 -0.497064 0.069 Uiso 1 1 calc R U . . .
C8A C -0.2860(4) 0.5443(5) -0.2469(4) 0.0263(17) Uani 1 1 d . . . . .
H8A1 H -0.263689 0.597416 -0.247994 0.032 Uiso 1 1 calc R U . . .
H8A2 H -0.244985 0.504875 -0.261067 0.032 Uiso 1 1 calc R U . . .
C8B C -0.3738(5) 0.5179(6) -0.3073(5) 0.044(2) Uani 1 1 d . . . . .
H8B1 H -0.415599 0.555372 -0.291143 0.052 Uiso 1 1 calc R U . . .
H8B2 H -0.394260 0.463305 -0.308426 0.052 Uiso 1 1 calc R U . . .
C8C C -0.3718(4) 0.5159(4) -0.3894(3) 0.037(2) Uani 1 1 d G . . . .
C8D C -0.4152(3) 0.5697(3) -0.4252(4) 0.047(2) Uani 1 1 d G . . . .
H8D H -0.445837 0.608663 -0.398247 0.056 Uiso 1 1 calc R U . . .
C8E C -0.4138(4) 0.5664(4) -0.5005(4) 0.055(3) Uani 1 1 d G . . . .
H8E H -0.443431 0.603134 -0.524968 0.066 Uiso 1 1 calc R U . . .
C8F C -0.3689(4) 0.5094(4) -0.5400(3) 0.058(3) Uani 1 1 d G . . . .
H8F H -0.367972 0.507118 -0.591432 0.070 Uiso 1 1 calc R U . . .
C8G C -0.3256(4) 0.4556(4) -0.5042(4) 0.055(3) Uani 1 1 d G . . . .
H8G H -0.294917 0.416630 -0.531175 0.066 Uiso 1 1 calc R U . . .
C8H C -0.3270(4) 0.4589(3) -0.4289(4) 0.044(2) Uani 1 1 d G . . . .
H8H H -0.297321 0.422157 -0.404454 0.053 Uiso 1 1 calc R U . . .
C9A C -0.3544(5) 0.2412(5) -0.2865(5) 0.035(2) Uani 1 1 d . . . . .
H9A1 H -0.315825 0.269971 -0.306006 0.041 Uiso 1 1 calc R U . . .
H9A2 H -0.345789 0.183046 -0.302428 0.041 Uiso 1 1 calc R U . . .
C9B C -0.4480(5) 0.2519(6) -0.3240(5) 0.044(2) Uani 1 1 d . . . . .
H9B1 H -0.486945 0.222976 -0.304894 0.053 Uiso 1 1 calc R U . . .
H9B2 H -0.456941 0.310005 -0.308491 0.053 Uiso 1 1 calc R U . . .
C9C C -0.4700(4) 0.2197(4) -0.4117(3) 0.045(2) Uani 1 1 d G . . . .
C9D C -0.5097(4) 0.1417(4) -0.4501(4) 0.060(3) Uani 1 1 d G . . . .
H9D H -0.524685 0.109190 -0.421219 0.072 Uiso 1 1 calc R U . . .
C9E C -0.5276(5) 0.1113(3) -0.5310(4) 0.074(4) Uani 1 1 d G . . . .
H9E H -0.554766 0.057979 -0.557281 0.089 Uiso 1 1 calc R U . . .
C9F C -0.5057(5) 0.1589(5) -0.5733(3) 0.071(4) Uani 1 1 d G . . . .
H9F H -0.517935 0.138115 -0.628541 0.086 Uiso 1 1 calc R U . . .
C9G C -0.4660(5) 0.2369(5) -0.5348(4) 0.076(4) Uani 1 1 d G . . . .
H9G H -0.451021 0.269463 -0.563741 0.091 Uiso 1 1 calc R U . . .
C9H C -0.4481(5) 0.2674(3) -0.4540(4) 0.059(3) Uani 1 1 d G . . . .
H9H H -0.420939 0.320676 -0.427678 0.070 Uiso 1 1 calc R U . . .
N20 N 0.500000 0.500000 0.000000 0.076(6) Uiso 0.52 2 d DS U P A 1
C28 C 0.6349(19) 0.9488(18) 0.2956(16) 0.123(9) Uiso 0.6 1 d D U P B 1
H28D H 0.665883 1.002976 0.319098 0.185 Uiso 0.6 1 calc R U P B 1
H28E H 0.583276 0.946945 0.313689 0.185 Uiso 0.6 1 calc R U P B 1
H28F H 0.672572 0.909121 0.311003 0.185 Uiso 0.6 1 calc R U P B 1
C27 C 0.608(2) 0.9289(16) 0.2064(16) 0.091(6) Uiso 0.55 1 d D U P B 1
H27C H 0.570283 0.968963 0.190402 0.109 Uiso 0.55 1 calc R U P B 1
H27D H 0.659847 0.931026 0.187708 0.109 Uiso 0.55 1 calc R U P B 1
C26 C 0.5618(19) 0.8478(13) 0.1721(12) 0.087(6) Uiso 0.55 1 d D U P B 1
H26C H 0.520400 0.842797 0.201903 0.104 Uiso 0.55 1 calc R U P B 1
H26D H 0.604109 0.808028 0.179454 0.104 Uiso 0.55 1 calc R U P B 1
C25 C 0.5125(16) 0.8246(16) 0.0857(11) 0.093(6) Uiso 0.55 1 d D U P B 1
H25C H 0.454165 0.803857 0.083878 0.111 Uiso 0.55 1 calc R U P B 1
H25D H 0.505247 0.877146 0.074930 0.111 Uiso 0.55 1 calc R U P B 1
C24 C 0.5280(14) 0.7722(12) 0.0155(14) 0.106(6) Uiso 0.55 1 d D U P B 1
H24C H 0.558996 0.804887 -0.006976 0.127 Uiso 0.55 1 calc R U P B 1
H24D H 0.471794 0.749531 -0.023434 0.127 Uiso 0.55 1 calc R U P B 1
C23 C 0.5825(14) 0.7001(11) 0.0294(13) 0.089(6) Uiso 0.55 1 d D U P B 1
H23C H 0.628733 0.694186 0.002788 0.107 Uiso 0.55 1 calc R U P B 1
H23D H 0.608509 0.707915 0.085830 0.107 Uiso 0.55 1 calc R U P B 1
C22 C 0.5145(14) 0.6271(11) -0.0071(14) 0.080(6) Uiso 0.55 1 d D U P B 1
H22C H 0.480622 0.626417 -0.060175 0.097 Uiso 0.55 1 calc R U P B 1
H22D H 0.474385 0.629007 0.025437 0.097 Uiso 0.55 1 calc R U P B 1
C21 C 0.4335(12) 0.4520(14) 0.0111(13) 0.075(6) Uiso 0.52 1 d D U P A 1
H21A H 0.379043 0.442133 -0.031654 0.090 Uiso 0.52 1 calc R U P A 1
H21B H 0.422000 0.474948 0.062349 0.090 Uiso 0.52 1 calc R U P A 1
C29 C 0.5675(14) 0.5264(15) 0.0928(10) 0.077(5) Uiso 0.51 1 d D U P A 1
H29A H 0.609771 0.485664 0.091597 0.092 Uiso 0.51 1 calc R U P A 1
H29B H 0.600105 0.577836 0.099050 0.092 Uiso 0.51 1 calc R U P A 1
C33 C 0.7042(9) 0.6737(8) 0.3676(8) 0.048(3) Uiso 0.7 1 d D U P A 1
H33A H 0.664203 0.683281 0.400848 0.057 Uiso 0.7 1 calc R U P A 1
H33B H 0.737349 0.628401 0.377309 0.057 Uiso 0.7 1 calc R U P A 1
C32 C 0.6511(10) 0.6501(9) 0.2801(9) 0.053(4) Uiso 0.7 1 d D U P A 1
H32A H 0.690405 0.649794 0.247215 0.064 Uiso 0.7 1 calc R U P A 1
H32B H 0.609763 0.690488 0.272180 0.064 Uiso 0.7 1 calc R U P A 1
C31 C 0.6003(12) 0.5639(10) 0.2549(10) 0.073(4) Uiso 0.7 1 d D U P A 1
H31A H 0.642257 0.523739 0.261665 0.088 Uiso 0.7 1 calc R U P A 1
H31B H 0.563378 0.564063 0.289857 0.088 Uiso 0.7 1 calc R U P A 1
C30 C 0.5454(13) 0.5386(14) 0.1726(10) 0.076(5) Uiso 0.6 1 d D U P A 1
H30A H 0.500977 0.577245 0.171990 0.091 Uiso 0.6 1 calc R U P A 1
H30B H 0.514565 0.486173 0.166366 0.091 Uiso 0.6 1 calc R U P A 1
C34 C 0.7652(9) 0.7481(8) 0.3898(9) 0.067(4) Uiso 0.8 1 d D U P A 1
H34A H 0.732415 0.794836 0.384236 0.080 Uiso 0.8 1 calc R U P A 1
H34B H 0.803457 0.740260 0.355011 0.080 Uiso 0.8 1 calc R U P A 1
C36 C 0.8914(11) 0.7107(15) 0.4771(14) 0.105(8) Uiso 0.6 1 d D U P A 1
H36A H 0.926136 0.720509 0.531325 0.158 Uiso 0.6 1 calc R U P A 1
H36B H 0.867434 0.653915 0.455080 0.158 Uiso 0.6 1 calc R U P A 1
H36C H 0.927856 0.722763 0.446230 0.158 Uiso 0.6 1 calc R U P A 1
C35 C 0.8190(15) 0.7640(16) 0.4748(14) 0.096(6) Uiso 0.7 1 d D U P A 1
H35A H 0.842802 0.821456 0.497346 0.115 Uiso 0.7 1 calc R U P A 1
H35B H 0.782210 0.752414 0.506220 0.115 Uiso 0.7 1 calc R U P A 1
N202 N 0.513(2) 0.5346(19) 0.0390(19) 0.044(5) Uiso 0.24 1 d . U P C 2
C282 C 0.7164(13) 1.0558(14) 0.3041(16) 0.063(7) Uiso 0.4 1 d D U P C 2
H28A H 0.733206 1.082625 0.360601 0.094 Uiso 0.4 1 calc R U P C 2
H28B H 0.767163 1.035814 0.288015 0.094 Uiso 0.4 1 calc R U P C 2
H28C H 0.692561 1.094484 0.276502 0.094 Uiso 0.4 1 calc R U P C 2
C272 C 0.6504(18) 0.9873(16) 0.2846(16) 0.073(7) Uiso 0.45 1 d D U P C 2
H27A H 0.673627 0.947716 0.312083 0.088 Uiso 0.45 1 calc R U P C 2
H27B H 0.598690 1.006650 0.300519 0.088 Uiso 0.45 1 calc R U P C 2
C262 C 0.628(2) 0.949(2) 0.1991(19) 0.093(7) Uiso 0.45 1 d D U P C 2
H26A H 0.681913 0.942759 0.183565 0.111 Uiso 0.45 1 calc R U P C 2
H26B H 0.595738 0.987212 0.173565 0.111 Uiso 0.45 1 calc R U P C 2
C252 C 0.574(2) 0.8686(18) 0.1675(17) 0.080(6) Uiso 0.45 1 d D U P C 2
H25A H 0.518768 0.875232 0.180724 0.096 Uiso 0.45 1 calc R U P C 2
H25B H 0.605024 0.830845 0.193869 0.096 Uiso 0.45 1 calc R U P C 2
C242 C 0.5553(19) 0.8305(17) 0.0781(17) 0.083(6) Uiso 0.45 1 d D U P C 2
H24A H 0.608505 0.812318 0.064460 0.100 Uiso 0.45 1 calc R U P C 2
H24B H 0.533050 0.870317 0.050609 0.100 Uiso 0.45 1 calc R U P C 2
C232 C 0.4794(15) 0.7499(13) 0.0517(15) 0.063(5) Uiso 0.45 1 d D U P C 2
H23A H 0.436663 0.762993 0.081980 0.075 Uiso 0.45 1 calc R U P C 2
H23B H 0.448508 0.736100 -0.004656 0.075 Uiso 0.45 1 calc R U P C 2
C222 C 0.5275(15) 0.6787(14) 0.0693(15) 0.063(5) Uiso 0.45 1 d D U P C 2
H22A H 0.550670 0.690335 0.126620 0.075 Uiso 0.45 1 calc R U P C 2
H22B H 0.576929 0.673060 0.046631 0.075 Uiso 0.45 1 calc R U P C 2
C212 C 0.4683(14) 0.5982(12) 0.0356(14) 0.057(5) Uiso 0.48 1 d . U P C 2
H21C H 0.425295 0.600133 0.065345 0.069 Uiso 0.48 1 calc R U P C 2
H21D H 0.436515 0.591661 -0.019541 0.069 Uiso 0.48 1 calc R U P C 2
C292 C 0.4474(15) 0.4909(14) 0.0388(13) 0.057(5) Uiso 0.49 1 d D U P D 3
H29C H 0.424614 0.434258 0.011934 0.086 Uiso 0.49 1 calc R U P D 3
H29D H 0.399297 0.524003 0.043205 0.086 Uiso 0.49 1 calc R U P D 3
H29E H 0.480743 0.509580 0.008841 0.086 Uiso 0 1 calc R U P D 3
C332 C 0.657(3) 0.662(2) 0.326(2) 0.073(6) Uiso 0.3 1 d D U P D 3
H33C H 0.716093 0.653448 0.320087 0.088 Uiso 0.3 1 calc R U P D 3
H33D H 0.645746 0.714401 0.315860 0.088 Uiso 0.3 1 calc R U P D 3
C322 C 0.602(2) 0.603(2) 0.2498(19) 0.062(6) Uiso 0.3 1 d D U P D 3
H32C H 0.563440 0.576517 0.271164 0.075 Uiso 0.3 1 calc R U P D 3
H32D H 0.644193 0.563493 0.239528 0.075 Uiso 0.3 1 calc R U P D 3
C312 C 0.544(2) 0.5867(19) 0.1667(19) 0.061(6) Uiso 0.3 1 d D U P D 3
H31C H 0.577884 0.605458 0.136337 0.073 Uiso 0.3 1 calc R U P D 3
H31D H 0.495638 0.620513 0.168794 0.073 Uiso 0.3 1 calc R U P D 3
C302 C 0.5056(18) 0.4983(15) 0.1203(15) 0.064(5) Uiso 0.4 1 d D U P D 3
H30C H 0.553290 0.463834 0.115551 0.077 Uiso 0.4 1 calc R U P D 3
H30D H 0.471850 0.478256 0.149912 0.077 Uiso 0.4 1 calc R U P D 3
C342 C 0.673(4) 0.684(4) 0.411(3) 0.084(9) Uiso 0.2 1 d D U P D 3
H34C H 0.688651 0.637297 0.431191 0.100 Uiso 0.2 1 calc R U P D 3
H34D H 0.622984 0.706354 0.427848 0.100 Uiso 0.2 1 calc R U P D 3
C362 C 0.847(2) 0.763(3) 0.466(3) 0.106(11) Uiso 0.4 1 d D U P D 3
H36D H 0.864466 0.819823 0.475377 0.159 Uiso 0.4 1 calc R U P D 3
H36E H 0.868768 0.748439 0.514621 0.159 Uiso 0.4 1 calc R U P D 3
H36F H 0.872359 0.729523 0.426090 0.159 Uiso 0.4 1 calc R U P D 3
C352 C 0.748(2) 0.7463(13) 0.437(3) 0.096(7) Uiso 0.3 1 d D U P D 3
H35C H 0.731653 0.787419 0.479014 0.115 Uiso 0.3 1 calc R U P D 3
H35D H 0.735162 0.768933 0.392491 0.115 Uiso 0.3 1 calc R U P D 3
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'
Au Au -2.0133 8.8022 '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'
Pt Pt -1.7033 8.3905 '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'
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
S1 Au1 Pt1 154.48(5) . .
S1 Au1 Au5 145.23(5) . .
Pt1 Au1 Au5 59.589(12) . .
S1 Au1 Au6 119.61(5) . 2_565
Pt1 Au1 Au6 58.841(9) . 2_565
Au5 Au1 Au6 62.860(11) . 2_565
S1 Au1 Au2 98.06(5) . .
Pt1 Au1 Au2 58.044(9) . .
Au5 Au1 Au2 109.967(13) . .
Au6 Au1 Au2 59.840(13) 2_565 .
S1 Au1 Au3 103.69(5) . .
Pt1 Au1 Au3 57.434(9) . .
Au5 Au1 Au3 108.557(14) . .
Au6 Au1 Au3 106.328(12) 2_565 .
Au2 Au1 Au3 57.433(11) . .
S1 Au1 Au4 131.04(5) . .
Pt1 Au1 Au4 57.703(11) . .
Au5 Au1 Au4 60.617(13) . .
Au6 Au1 Au4 109.346(14) 2_565 .
Au2 Au1 Au4 106.025(13) . .
Au3 Au1 Au4 59.443(10) . .
S1 Au1 Au10 90.12(5) . .
Pt1 Au1 Au10 112.818(13) . .
Au5 Au1 Au10 64.850(11) . .
Au6 Au1 Au10 120.869(15) 2_565 .
Au2 Au1 Au10 169.851(14) . .
Au3 Au1 Au10 114.826(13) . .
Au4 Au1 Au10 63.894(11) . .
S1 Au1 Au7 46.26(5) . .
Pt1 Au1 Au7 109.251(14) . .
Au5 Au1 Au7 168.427(14) . .
Au6 Au1 Au7 115.398(13) 2_565 .
Au2 Au1 Au7 62.273(11) . .
Au3 Au1 Au7 60.301(12) . .
Au4 Au1 Au7 111.829(15) . .
Au10 Au1 Au7 121.266(12) . .
S1 Au1 Au12 89.14(5) . 2_565
Pt1 Au1 Au12 109.288(12) . 2_565
Au5 Au1 Au12 59.944(11) . 2_565
Au6 Au1 Au12 63.333(10) 2_565 2_565
Au2 Au1 Au12 117.962(14) . 2_565
Au3 Au1 Au12 166.703(14) . 2_565
Au4 Au1 Au12 114.413(13) . 2_565
Au10 Au1 Au12 67.911(11) . 2_565
Au7 Au1 Au12 130.632(13) . 2_565
S2 Au2 Pt1 158.97(5) 2_565 .
S2 Au2 Au3 141.10(5) 2_565 .
Pt1 Au2 Au3 59.046(9) . .
S2 Au2 Au4 101.29(5) 2_565 2_565
Pt1 Au2 Au4 58.810(12) . 2_565
Au3 Au2 Au4 109.649(14) . 2_565
S2 Au2 Au6 106.46(5) 2_565 2_565
Pt1 Au2 Au6 58.583(9) . 2_565
Au3 Au2 Au6 109.746(13) . 2_565
Au4 Au2 Au6 57.792(10) 2_565 2_565
S2 Au2 Au5 120.57(5) 2_565 2_565
Pt1 Au2 Au5 58.118(11) . 2_565
Au3 Au2 Au5 60.798(11) . 2_565
Au4 Au2 Au5 60.532(12) 2_565 2_565
Au6 Au2 Au5 106.911(15) 2_565 2_565
S2 Au2 Au1 130.44(5) 2_565 .
Pt1 Au2 Au1 57.753(9) . .
Au3 Au2 Au1 62.131(13) . .
Au4 Au2 Au1 106.235(14) 2_565 .
Au6 Au2 Au1 59.386(11) 2_565 .
Au5 Au2 Au1 108.813(13) 2_565 .
S2 Au2 Au7 89.88(5) 2_565 .
Pt1 Au2 Au7 109.636(14) . .
Au3 Au2 Au7 61.916(13) . .
Au4 Au2 Au7 168.247(13) 2_565 .
Au6 Au2 Au7 115.667(13) 2_565 .
Au5 Au2 Au7 116.723(14) 2_565 .
Au1 Au2 Au7 63.029(12) . .
S2 Au2 Au8 46.61(5) 2_565 2_565
Pt1 Au2 Au8 112.833(12) . 2_565
Au3 Au2 Au8 171.331(14) . 2_565
Au4 Au2 Au8 61.820(12) 2_565 2_565
Au6 Au2 Au8 65.064(11) 2_565 2_565
Au5 Au2 Au8 113.113(13) 2_565 2_565
Au1 Au2 Au8 117.305(15) . 2_565
Au7 Au2 Au8 126.243(14) . 2_565
S2 Au2 Au11 83.24(5) 2_565 2_565
Pt1 Au2 Au11 110.732(11) . 2_565
Au3 Au2 Au11 62.359(11) . 2_565
Au4 Au2 Au11 116.247(12) 2_565 2_565
Au6 Au2 Au11 169.129(14) 2_565 2_565
Au5 Au2 Au11 63.102(13) 2_565 2_565
Au1 Au2 Au11 118.115(13) . 2_565
Au7 Au2 Au11 68.354(11) . 2_565
Au8 Au2 Au11 121.691(12) 2_565 2_565
S3 Au3 Pt1 153.40(6) . .
S3 Au3 Au2 146.90(6) . .
Pt1 Au3 Au2 59.072(10) . .
S3 Au3 Au5 121.34(7) . 2_565
Pt1 Au3 Au5 58.118(10) . 2_565
Au2 Au3 Au5 60.776(12) . 2_565
S3 Au3 Au6 96.98(7) . .
Pt1 Au3 Au6 58.281(10) . .
Au2 Au3 Au6 109.599(13) . .
Au5 Au3 Au6 61.061(11) 2_565 .
S3 Au3 Au4 101.67(6) . .
Pt1 Au3 Au4 57.976(11) . .
Au2 Au3 Au4 109.206(14) . .
Au5 Au3 Au4 106.468(15) 2_565 .
Au6 Au3 Au4 56.787(12) . .
S3 Au3 Au1 131.14(7) . .
Pt1 Au3 Au1 57.174(10) . .
Au2 Au3 Au1 60.435(11) . .
Au5 Au3 Au1 107.499(13) 2_565 .
Au6 Au3 Au1 105.805(13) . .
Au4 Au3 Au1 60.385(11) . .
S3 Au3 Au7 92.01(7) . .
Pt1 Au3 Au7 111.667(14) . .
Au2 Au3 Au7 64.408(11) . .
Au5 Au3 Au7 118.910(13) 2_565 .
Au6 Au3 Au7 169.057(14) . .
Au4 Au3 Au7 115.261(14) . .
Au1 Au3 Au7 63.387(10) . .
S3 Au3 Au11 86.55(6) . 2_565
Pt1 Au3 Au11 112.310(13) . 2_565
Au2 Au3 Au11 64.265(13) . 2_565
Au5 Au3 Au11 63.780(13) 2_565 2_565
Au6 Au3 Au11 116.753(13) . 2_565
Au4 Au3 Au11 169.846(14) . 2_565
Au1 Au3 Au11 118.307(13) . 2_565
Au7 Au3 Au11 69.880(12) . 2_565
S3 Au3 Au9 45.31(6) . .
Pt1 Au3 Au9 108.444(13) . .
Au2 Au3 Au9 167.413(14) . .
Au5 Au3 Au9 112.512(15) 2_565 .
Au6 Au3 Au9 58.865(10) . .
Au4 Au3 Au9 61.112(12) . .
Au1 Au3 Au9 115.626(13) . .
Au7 Au3 Au9 125.979(13) . .
Au11 Au3 Au9 123.983(14) 2_565 .
S5 Au4 Pt1 148.61(5) . .
S5 Au4 Au6 143.57(5) . .
Pt1 Au4 Au6 59.692(10) . .
S5 Au4 Au2 142.31(5) . 2_565
Pt1 Au4 Au2 58.324(10) . 2_565
Au6 Au4 Au2 61.380(12) . 2_565
S5 Au4 Au5 107.01(5) . .
Pt1 Au4 Au5 57.815(9) . .
Au6 Au4 Au5 109.412(15) . .
Au2 Au4 Au5 60.084(11) 2_565 .
S5 Au4 Au3 109.37(5) . .
Pt1 Au4 Au3 57.479(9) . .
Au6 Au4 Au3 61.106(13) . .
Au2 Au4 Au3 108.277(14) 2_565 .
Au5 Au4 Au3 105.819(14) . .
S5 Au4 Au1 91.66(5) . .
Pt1 Au4 Au1 56.953(9) . .
Au6 Au4 Au1 109.070(14) . .
Au2 Au4 Au1 105.383(15) 2_565 .
Au5 Au4 Au1 56.486(11) . .
Au3 Au4 Au1 60.172(12) . .
S5 Au4 Au8 97.12(5) . .
Pt1 Au4 Au8 114.064(12) . .
Au6 Au4 Au8 66.964(12) . .
Au2 Au4 Au8 63.727(13) 2_565 .
Au5 Au4 Au8 114.332(14) . .
Au3 Au4 Au8 122.031(14) . .
Au1 Au4 Au8 169.101(14) . .
S5 Au4 Au9 82.57(5) . .
Pt1 Au4 Au9 110.931(11) . .
Au6 Au4 Au9 61.337(12) . .
Au2 Au4 Au9 115.789(12) 2_565 .
Au5 Au4 Au9 168.739(13) . .
Au3 Au4 Au9 64.628(12) . .
Au1 Au4 Au9 118.559(14) . .
Au8 Au4 Au9 69.242(11) . .
S5 Au4 Au10 45.95(5) . .
Pt1 Au4 Au10 108.807(11) . .
Au6 Au4 Au10 168.324(13) . .
Au2 Au4 Au10 115.694(14) 2_565 .
Au5 Au4 Au10 62.010(12) . .
Au3 Au4 Au10 112.081(15) . .
Au1 Au4 Au10 59.951(11) . .
Au8 Au4 Au10 122.996(12) . .
Au9 Au4 Au10 126.032(14) . .
S6 Au5 Pt1 155.83(5) . .
S6 Au5 Au1 144.12(5) . .
Pt1 Au5 Au1 59.436(9) . .
S6 Au5 Au2 99.17(5) . 2_565
Pt1 Au5 Au2 58.270(10) . 2_565
Au1 Au5 Au2 109.945(16) . 2_565
S6 Au5 Au3 104.05(5) . 2_565
Pt1 Au5 Au3 58.243(9) . 2_565
Au1 Au5 Au3 108.837(13) . 2_565
Au2 Au5 Au3 58.427(11) 2_565 2_565
S6 Au5 Au4 120.20(6) . .
Pt1 Au5 Au4 58.444(11) . .
Au1 Au5 Au4 62.897(11) . .
Au2 Au5 Au4 59.384(12) 2_565 .
Au3 Au5 Au4 106.815(14) 2_565 .
S6 Au5 Au6 130.78(5) . 2_565
Pt1 Au5 Au6 57.859(9) . 2_565
Au1 Au5 Au6 60.127(11) . 2_565
Au2 Au5 Au6 106.718(12) 2_565 2_565
Au3 Au5 Au6 59.791(13) 2_565 2_565
Au4 Au5 Au6 109.006(13) . 2_565
S6 Au5 Au12 86.28(5) . 2_565
Pt1 Au5 Au12 115.268(13) . 2_565
Au1 Au5 Au12 67.439(14) . 2_565
Au2 Au5 Au12 171.822(13) 2_565 2_565
Au3 Au5 Au12 114.446(13) 2_565 2_565
Au4 Au5 Au12 122.926(14) . 2_565
Au6 Au5 Au12 65.155(11) 2_565 2_565
S6 Au5 Au10 86.28(5) . .
Pt1 Au5 Au10 110.700(12) . .
Au1 Au5 Au10 62.377(11) . .
Au2 Au5 Au10 116.592(13) 2_565 .
Au3 Au5 Au10 168.923(14) 2_565 .
Au4 Au5 Au10 63.721(11) . .
Au6 Au5 Au10 116.317(15) 2_565 .
Au12 Au5 Au10 69.615(12) 2_565 .
S6 Au5 Au11 46.10(5) . .
Pt1 Au5 Au11 110.527(11) . .
Au1 Au5 Au11 169.739(13) . .
Au2 Au5 Au11 62.706(13) 2_565 .
Au3 Au5 Au11 61.536(11) 2_565 .
Au4 Au5 Au11 114.916(13) . .
Au6 Au5 Au11 113.745(13) 2_565 .
Au12 Au5 Au11 118.739(15) 2_565 .
Au10 Au5 Au11 126.657(13) . .
S8 Au6 Pt1 154.67(5) . .
S8 Au6 Au4 145.45(5) . .
Pt1 Au6 Au4 59.750(11) . .
S8 Au6 Au1 101.32(5) . 2_565
Pt1 Au6 Au1 58.111(9) . 2_565
Au4 Au6 Au1 109.789(15) . 2_565
S8 Au6 Au2 127.97(5) . 2_565
Pt1 Au6 Au2 58.155(11) . 2_565
Au4 Au6 Au2 60.826(13) . 2_565
Au1 Au6 Au2 60.774(11) 2_565 2_565
S8 Au6 Au3 123.40(5) . .
Pt1 Au6 Au3 57.832(9) . .
Au4 Au6 Au3 62.107(11) . .
Au1 Au6 Au3 105.773(13) 2_565 .
Au2 Au6 Au3 108.618(14) 2_565 .
S8 Au6 Au5 100.08(5) . 2_565
Pt1 Au6 Au5 57.297(10) . 2_565
Au4 Au6 Au5 109.178(14) . 2_565
Au1 Au6 Au5 57.012(12) 2_565 2_565
Au2 Au6 Au5 106.087(13) 2_565 2_565
Au3 Au6 Au5 59.146(11) . 2_565
S8 Au6 Au9 84.97(5) . .
Pt1 Au6 Au9 114.480(13) . .
Au4 Au6 Au9 65.609(13) . .
Au1 Au6 Au9 172.052(14) 2_565 .
Au2 Au6 Au9 119.016(13) 2_565 .
Au3 Au6 Au9 66.464(12) . .
Au5 Au6 Au9 117.412(16) 2_565 .
S8 Au6 Au12 45.62(5) . .
Pt1 Au6 Au12 109.058(13) . .
Au4 Au6 Au12 167.739(14) . .
Au1 Au6 Au12 63.749(12) 2_565 .
Au2 Au6 Au12 119.170(14) 2_565 .
Au3 Au6 Au12 108.488(12) . .
Au5 Au6 Au12 58.606(11) 2_565 .
Au9 Au6 Au12 119.412(15) . .
S8 Au6 Au8 92.13(5) . .
Pt1 Au6 Au8 109.617(13) . .
Au4 Au6 Au8 61.332(12) . .
Au1 Au6 Au8 115.468(15) 2_565 .
Au2 Au6 Au8 61.583(10) 2_565 .
Au3 Au6 Au8 117.908(13) . .
Au5 Au6 Au8 166.669(13) 2_565 .
Au9 Au6 Au8 68.709(13) . .
Au12 Au6 Au8 130.450(14) . .
S7 Au7 S1 172.74(7) 2_565 .
S7 Au7 Au3 86.17(5) 2_565 .
S1 Au7 Au3 100.90(5) . .
S7 Au7 Au2 93.12(5) 2_565 .
S1 Au7 Au2 92.41(5) . .
Au3 Au7 Au2 53.676(11) . .
S7 Au7 Au1 139.86(5) 2_565 .
S1 Au7 Au1 47.35(5) . .
Au3 Au7 Au1 56.312(12) . .
Au2 Au7 Au1 54.697(11) . .
S4 Au8 S2 173.68(7) . .
S4 Au8 Au4 88.72(5) . .
S2 Au8 Au4 96.16(5) . .
S4 Au8 Au2 137.84(5) . 2_565
S2 Au8 Au2 48.36(5) . 2_565
Au4 Au8 Au2 54.452(10) . 2_565
S4 Au8 Au6 89.01(5) . .
S2 Au8 Au6 97.16(5) . .
Au4 Au8 Au6 51.704(10) . .
Au2 Au8 Au6 53.351(11) 2_565 .
S4 Au9 S3 171.75(8) . .
S4 Au9 Au6 94.24(5) . .
S3 Au9 Au6 93.70(6) . .
S4 Au9 Au4 87.20(6) . .
S3 Au9 Au4 95.79(6) . .
Au6 Au9 Au4 53.055(9) . .
S4 Au9 Au3 139.57(6) . .
S3 Au9 Au3 45.89(6) . .
Au6 Au9 Au3 54.671(12) . .
Au4 Au9 Au3 54.260(9) . .
S9 Au10 S5 174.08(7) 2_565 .
S9 Au10 Au1 95.71(5) 2_565 .
S5 Au10 Au1 89.52(5) . .
S9 Au10 Au5 84.77(5) 2_565 .
S5 Au10 Au5 100.64(5) . .
Au1 Au10 Au5 52.773(11) . .
S9 Au10 Au4 138.50(5) 2_565 .
S5 Au10 Au4 47.24(5) . .
Au1 Au10 Au4 56.155(10) . .
Au5 Au10 Au4 54.270(10) . .
S6 Au11 S7 173.34(7) . .
S6 Au11 Au3 99.51(5) . 2_565
S7 Au11 Au3 85.65(5) . 2_565
S6 Au11 Au2 93.48(5) . 2_565
S7 Au11 Au2 92.98(5) . 2_565
Au3 Au11 Au2 53.375(10) 2_565 2_565
S6 Au11 Au5 48.20(5) . .
S7 Au11 Au5 138.05(5) . .
Au3 Au11 Au5 54.687(10) 2_565 .
Au2 Au11 Au5 54.195(9) 2_565 .
S9 Au12 S8 172.47(7) . .
S9 Au12 Au5 87.95(5) . 2_565
S8 Au12 Au5 99.51(5) . 2_565
S9 Au12 Au6 139.78(5) . .
S8 Au12 Au6 47.43(5) . .
Au5 Au12 Au6 56.237(10) 2_565 .
S9 Au12 Au1 92.14(5) . 2_565
S8 Au12 Au1 93.19(5) . 2_565
Au5 Au12 Au1 52.615(11) 2_565 2_565
Au6 Au12 Au1 52.919(10) . 2_565
Au1 Pt1 Au1 180.0 2_565 .
Au1 Pt1 Au5 60.973(10) 2_565 2_565
Au1 Pt1 Au5 119.027(11) . 2_565
Au1 Pt1 Au5 119.025(10) 2_565 .
Au1 Pt1 Au5 60.975(11) . .
Au5 Pt1 Au5 180.0 2_565 .
Au1 Pt1 Au3 65.391(12) 2_565 2_565
Au1 Pt1 Au3 114.609(13) . 2_565
Au5 Pt1 Au3 116.363(11) 2_565 2_565
Au5 Pt1 Au3 63.636(11) . 2_565
Au1 Pt1 Au3 114.609(13) 2_565 .
Au1 Pt1 Au3 65.392(12) . .
Au5 Pt1 Au3 63.636(11) 2_565 .
Au5 Pt1 Au3 116.365(11) . .
Au3 Pt1 Au3 179.999(10) 2_565 .
Au1 Pt1 Au2 115.797(12) 2_565 .
Au1 Pt1 Au2 64.203(12) . .
Au5 Pt1 Au2 63.611(9) 2_565 .
Au5 Pt1 Au2 116.391(9) . .
Au3 Pt1 Au2 118.118(11) 2_565 .
Au3 Pt1 Au2 61.882(11) . .
Au1 Pt1 Au2 64.203(12) 2_565 2_565
Au1 Pt1 Au2 115.797(12) . 2_565
Au5 Pt1 Au2 116.388(9) 2_565 2_565
Au5 Pt1 Au2 63.610(9) . 2_565
Au3 Pt1 Au2 61.883(11) 2_565 2_565
Au3 Pt1 Au2 118.117(11) . 2_565
Au2 Pt1 Au2 180.0 . 2_565
Au1 Pt1 Au6 63.047(11) 2_565 .
Au1 Pt1 Au6 116.954(11) . .
Au5 Pt1 Au6 64.842(12) 2_565 .
Au5 Pt1 Au6 115.157(12) . .
Au3 Pt1 Au6 116.113(12) 2_565 .
Au3 Pt1 Au6 63.887(12) . .
Au2 Pt1 Au6 116.736(11) . .
Au2 Pt1 Au6 63.262(11) 2_565 .
Au1 Pt1 Au6 116.953(11) 2_565 2_565
Au1 Pt1 Au6 63.046(11) . 2_565
Au5 Pt1 Au6 115.158(12) 2_565 2_565
Au5 Pt1 Au6 64.844(11) . 2_565
Au3 Pt1 Au6 63.888(13) 2_565 2_565
Au3 Pt1 Au6 116.113(13) . 2_565
Au2 Pt1 Au6 63.263(11) . 2_565
Au2 Pt1 Au6 116.739(11) 2_565 2_565
Au6 Pt1 Au6 180.0 . 2_565
Au1 Pt1 Au4 65.344(10) 2_565 2_565
Au1 Pt1 Au4 114.655(10) . 2_565
Au5 Pt1 Au4 63.742(10) 2_565 2_565
Au5 Pt1 Au4 116.259(10) . 2_565
Au3 Pt1 Au4 64.544(9) 2_565 2_565
Au3 Pt1 Au4 115.455(9) . 2_565
Au2 Pt1 Au4 62.867(10) . 2_565
Au2 Pt1 Au4 117.134(10) 2_565 2_565
Au6 Pt1 Au4 119.442(9) . 2_565
Au6 Pt1 Au4 60.557(9) 2_565 2_565
Au1 Pt1 Au4 114.656(10) 2_565 .
Au1 Pt1 Au4 65.345(10) . .
Au5 Pt1 Au4 116.258(10) 2_565 .
Au5 Pt1 Au4 63.741(10) . .
Au3 Pt1 Au4 115.456(9) 2_565 .
Au3 Pt1 Au4 64.545(9) . .
Au2 Pt1 Au4 117.133(9) . .
Au2 Pt1 Au4 62.866(10) 2_565 .
Au6 Pt1 Au4 60.558(9) . .
Au6 Pt1 Au4 119.443(9) 2_565 .
Au4 Pt1 Au4 180.0 2_565 .
C1A S1 Au7 106.4(3) . .
C1A S1 Au1 107.8(3) . .
Au7 S1 Au1 86.39(6) . .
C2A S2 Au8 105.9(3) . .
C2A S2 Au2 107.7(2) . 2_565
Au8 S2 Au2 85.03(7) . 2_565
C3A S3 Au9 98.1(3) . .
C3A S3 Au3 105.1(3) . .
Au9 S3 Au3 88.80(8) . .
C4A S4 Au8 102.5(3) . .
C4A S4 Au9 104.5(3) . .
Au8 S4 Au9 101.93(8) . .
C5A S5 Au10 105.7(3) . .
C5A S5 Au4 111.2(3) . .
Au10 S5 Au4 86.82(7) . .
C6A S6 Au11 104.3(3) . .
C6A S6 Au5 103.0(3) . .
Au11 S6 Au5 85.69(7) . .
C7A S7 Au11 101.8(3) . .
C7A S7 Au7 101.4(3) . 2_565
Au11 S7 Au7 101.22(8) . 2_565
C8A S8 Au12 99.4(3) . .
C8A S8 Au6 105.8(2) . .
Au12 S8 Au6 86.95(7) . .
C9A S9 Au12 101.9(3) . .
C9A S9 Au10 105.1(3) . 2_565
Au12 S9 Au10 100.39(7) . 2_565
C1B C1A S1 109.8(6) . .
C1C C1B C1A 110.2(6) . .
C1D C1C C1H 120.0 . .
C1D C1C C1B 120.7(6) . .
C1H C1C C1B 119.3(6) . .
C1E C1D C1C 120.0 . .
C1D C1E C1F 120.0 . .
C1E C1F C1G 120.0 . .
C1H C1G C1F 120.0 . .
C1G C1H C1C 120.0 . .
C2B C2A S2 110.2(5) . .
C2C C2B C2A 112.1(7) . .
C2D C2C C2H 120.0 . .
C2D C2C C2B 118.8(5) . .
C2H C2C C2B 121.2(5) . .
C2E C2D C2C 120.0 . .
C2D C2E C2F 120.0 . .
C2E C2F C2G 120.0 . .
C2H C2G C2F 120.0 . .
C2G C2H C2C 120.0 . .
C3B C3A S3 108.4(7) . .
C3C C3B C3A 111.6(9) . .
C3D C3C C3H 120.0 . .
C3D C3C C3B 122.5(7) . .
C3H C3C C3B 117.3(7) . .
C3C C3D C3E 120.0 . .
C3F C3E C3D 120.0 . .
C3G C3F C3E 120.0 . .
C3F C3G C3H 120.0 . .
C3G C3H C3C 120.0 . .
C4B C4A S4 112.6(7) . .
C4A C4B C4C 111.4(8) . .
C4D C4C C4H 120.0 . .
C4D C4C C4B 120.3(6) . .
C4H C4C C4B 119.6(6) . .
C4E C4D C4C 120.0 . .
C4D C4E C4F 120.0 . .
C4G C4F C4E 120.0 . .
C4H C4G C4F 120.0 . .
C4G C4H C4C 120.0 . .
C5B C5A S5 111.2(6) . .
C5C C5B C5A 113.5(7) . .
C5D C5C C5H 120.0 . .
C5D C5C C5B 119.0(6) . .
C5H C5C C5B 121.0(6) . .
C5E C5D C5C 120.0 . .
C5F C5E C5D 120.0 . .
C5E C5F C5G 120.0 . .
C5F C5G C5H 120.0 . .
C5G C5H C5C 120.0 . .
C6B C6A S6 114.0(7) . .
C6C C6B C6A 112.2(8) . .
C6D C6C C6H 120.0 . .
C6D C6C C6B 120.3(7) . .
C6H C6C C6B 119.3(7) . .
C6E C6D C6C 120.0 . .
C6D C6E C6F 120.0 . .
C6G C6F C6E 120.0 . .
C6F C6G C6H 120.0 . .
C6G C6H C6C 120.0 . .
C7B C7A S7 114.1(6) . .
C7C C7B C7A 108.8(7) . .
C7D C7C C7H 120.0 . .
C7D C7C C7B 119.7(6) . .
C7H C7C C7B 120.3(6) . .
C7E C7D C7C 120.0 . .
C7D C7E C7F 120.0 . .
C7G C7F C7E 120.0 . .
C7F C7G C7H 120.0 . .
C7G C7H C7C 120.0 . .
C8B C8A S8 112.4(6) . .
C8A C8B C8C 113.0(7) . .
C8D C8C C8H 120.0 . .
C8D C8C C8B 120.7(5) . .
C8H C8C C8B 119.3(5) . .
C8E C8D C8C 120.0 . .
C8D C8E C8F 120.0 . .
C8G C8F C8E 120.0 . .
C8F C8G C8H 120.0 . .
C8G C8H C8C 120.0 . .
C9B C9A S9 112.2(6) . .
C9C C9B C9A 110.7(7) . .
C9D C9C C9H 120.0 . .
C9D C9C C9B 120.1(6) . .
C9H C9C C9B 119.8(6) . .
C9C C9D C9E 120.0 . .
C9F C9E C9D 120.0 . .
C9E C9F C9G 120.0 . .
C9F C9G C9H 120.0 . .
C9G C9H C9C 120.0 . .
C21 N20 C21 180.0(15) . 2_665
C21 N20 C29 98.4(11) . .
C21 N20 C29 81.6(11) 2_665 .
C21 N20 C29 81.6(11) . 2_665
C21 N20 C29 98.4(11) 2_665 2_665
C29 N20 C29 180.0 . 2_665
C26 C27 C28 109(2) . .
C27 C26 C25 116(2) . .
C24 C25 C26 133(2) . .
C25 C24 C23 114(2) . .
C22 C23 C24 102.5(16) . .
C23 C22 C21 106.3(16) . 2_665
N20 C21 C22 95.1(15) . 2_665
C30 C29 N20 129.4(16) . .
C34 C33 C32 111.5(11) . .
C33 C32 C31 110.1(12) . .
C30 C31 C32 113.2(15) . .
C31 C30 C29 132.0(17) . .
C33 C34 C35 108.2(15) . .
C36 C35 C34 109.0(18) . .
C262 C272 C282 107(2) . .
C272 C262 C252 116(3) . .
C262 C252 C242 114(2) . .
C252 C242 C232 107(2) . .
C222 C232 C242 107.1(19) . .
C232 C222 C212 112.2(19) . .
N202 C212 C222 112(2) . .
C342 C332 C322 142(4) . .
C332 C322 C312 150(4) . .
C322 C312 C302 118(3) . .
C292 C302 C312 113(2) . .
C332 C342 C352 100(4) . .
C342 C352 C362 145(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 S1 2.354(2) .
Au1 Pt1 2.7468(4) .
Au1 Au5 2.7894(5) .
Au1 Au6 2.8836(5) 2_565
Au1 Au2 2.9241(5) .
Au1 Au3 2.9719(6) .
Au1 Au4 2.9782(5) .
Au1 Au10 3.1039(5) .
Au1 Au7 3.1933(5) .
Au1 Au12 3.2418(6) 2_565
Au2 S2 2.3822(19) 2_565
Au2 Pt1 2.7556(4) .
Au2 Au3 2.8332(5) .
Au2 Au4 2.8816(5) 2_565
Au2 Au6 2.8971(5) 2_565
Au2 Au5 2.9022(5) 2_565
Au2 Au7 3.1716(5) .
Au2 Au8 3.1759(5) 2_565
Au2 Au11 3.1800(6) 2_565
Au3 S3 2.358(2) .
Au3 Pt1 2.7548(4) .
Au3 Au5 2.9028(5) 2_565
Au3 Au6 2.9222(6) .
Au3 Au4 2.9500(5) .
Au3 Au7 3.1025(6) .
Au3 Au11 3.1273(5) 2_565
Au3 Au9 3.2839(5) .
Au4 S5 2.3678(19) .
Au4 Pt1 2.7700(4) .
Au4 Au6 2.7925(5) .
Au4 Au5 2.9152(5) .
Au4 Au8 3.1219(5) .
Au4 Au9 3.1822(6) .
Au4 Au10 3.2200(5) .
Au5 S6 2.386(2) .
Au5 Pt1 2.7511(4) .
Au5 Au6 2.9593(5) 2_565
Au5 Au12 3.0384(5) 2_565
Au5 Au10 3.1711(5) .
Au5 Au11 3.1913(6) .
Au6 S8 2.382(2) .
Au6 Pt1 2.7683(4) .
Au6 Au9 3.0659(5) .
Au6 Au12 3.2301(5) .
Au6 Au8 3.2744(5) .
Au7 S7 2.310(2) 2_565
Au7 S1 2.312(2) .
Au8 S4 2.304(2) .
Au8 S2 2.317(2) .
Au9 S4 2.308(2) .
Au9 S3 2.335(2) .
Au10 S9 2.309(2) 2_565
Au10 S5 2.318(2) .
Au11 S6 2.306(2) .
Au11 S7 2.306(2) .
Au12 S9 2.307(2) .
Au12 S8 2.312(2) .
S1 C1A 1.829(7) .
S2 C2A 1.849(8) .
S3 C3A 1.920(10) .
S4 C4A 1.850(9) .
S5 C5A 1.819(8) .
S6 C6A 1.826(9) .
S7 C7A 1.845(8) .
S8 C8A 1.803(8) .
S9 C9A 1.830(8) .
C1A C1B 1.536(11) .
C1B C1C 1.523(9) .
C1C C1D 1.3900 .
C1C C1H 1.3900 .
C1D C1E 1.3900 .
C1E C1F 1.3900 .
C1F C1G 1.3900 .
C1G C1H 1.3900 .
C2A C2B 1.546(10) .
C2B C2C 1.516(9) .
C2C C2D 1.3900 .
C2C C2H 1.3900 .
C2D C2E 1.3900 .
C2E C2F 1.3900 .
C2F C2G 1.3900 .
C2G C2H 1.3900 .
C3A C3B 1.504(12) .
C3B C3C 1.496(11) .
C3C C3D 1.3900 .
C3C C3H 1.3900 .
C3D C3E 1.3900 .
C3E C3F 1.3900 .
C3F C3G 1.3900 .
C3G C3H 1.3900 .
C4A C4B 1.462(13) .
C4B C4C 1.542(11) .
C4C C4D 1.3900 .
C4C C4H 1.3900 .
C4D C4E 1.3900 .
C4E C4F 1.3900 .
C4F C4G 1.3900 .
C4G C4H 1.3900 .
C5A C5B 1.556(11) .
C5B C5C 1.504(10) .
C5C C5D 1.3900 .
C5C C5H 1.3900 .
C5D C5E 1.3900 .
C5E C5F 1.3900 .
C5F C5G 1.3900 .
C5G C5H 1.3900 .
C6A C6B 1.505(12) .
C6B C6C 1.499(11) .
C6C C6D 1.3900 .
C6C C6H 1.3900 .
C6D C6E 1.3900 .
C6E C6F 1.3900 .
C6F C6G 1.3900 .
C6G C6H 1.3900 .
C7A C7B 1.514(11) .
C7B C7C 1.507(9) .
C7C C7D 1.3900 .
C7C C7H 1.3900 .
C7D C7E 1.3900 .
C7E C7F 1.3900 .
C7F C7G 1.3900 .
C7G C7H 1.3900 .
C8A C8B 1.524(10) .
C8B C8C 1.526(10) .
C8C C8D 1.3900 .
C8C C8H 1.3900 .
C8D C8E 1.3900 .
C8E C8F 1.3900 .
C8F C8G 1.3900 .
C8G C8H 1.3900 .
C9A C9B 1.527(11) .
C9B C9C 1.504(10) .
C9C C9D 1.3900 .
C9C C9H 1.3900 .
C9D C9E 1.3900 .
C9E C9F 1.3900 .
C9F C9G 1.3900 .
C9G C9H 1.3900 .
N20 C21 1.440(16) .
N20 C21 1.440(16) 2_665
N20 C29 1.706(15) .
N20 C29 1.706(15) 2_665
C28 C27 1.53(3) .
C27 C26 1.47(3) .
C26 C25 1.524(16) .
C25 C24 1.448(13) .
C24 C23 1.58(2) .
C23 C22 1.53(2) .
C22 C21 1.62(3) 2_665
C29 C30 1.57(2) .
C33 C34 1.499(16) .
C33 C32 1.555(18) .
C32 C31 1.577(19) .
C31 C30 1.48(2) .
C34 C35 1.53(2) .
C36 C35 1.50(2) .
N202 C212 1.33(4) .
N202 N202 1.55(6) 2_665
C282 C272 1.48(3) .
C272 C262 1.48(3) .
C262 C252 1.51(3) .
C252 C242 1.55(3) .
C242 C232 1.71(3) .
C232 C222 1.54(2) .
C222 C212 1.55(3) .
C292 C302 1.53(3) .
C332 C342 1.48(4) .
C332 C322 1.52(3) .
C322 C312 1.52(3) .
C312 C302 1.55(3) .
C342 C352 1.48(4) .
C362 C352 1.55(3) .
