# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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data_au24dia_0m

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            Au24(SR)20
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C220 H300 Au24 S20'
_chemical_formula_weight         8313.00

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'
S S 0.3331 0.5567 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.9929(8)
_cell_length_b                   21.5942(12)
_cell_length_c                   21.8042(11)
_cell_angle_alpha                66.888(3)
_cell_angle_beta                 74.051(3)
_cell_angle_gamma                73.462(3)
_cell_volume                     6524.8(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9411
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      53.61

_exptl_crystal_description       rod
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.116
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3836
_exptl_absorpt_coefficient_mu    26.437
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0873
_exptl_absorpt_correction_T_max  0.5043
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'IMuS micro-focus source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            56832
_diffrn_reflns_av_R_equivalents  0.0640
_diffrn_reflns_av_sigmaI/netI    0.0593
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.24
_diffrn_reflns_theta_max         54.53
_reflns_number_total             15678
_reflns_number_gt                10328
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX II'
_computing_cell_refinement       'Bruker APEX II'
_computing_data_reduction        'Bruker APEX II'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1049P)²+36.1312P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15678
_refine_ls_number_parameters     914
_refine_ls_number_restraints     429
_refine_ls_R_factor_all          0.0916
_refine_ls_R_factor_gt           0.0545
_refine_ls_wR_factor_ref         0.1944
_refine_ls_wR_factor_gt          0.1578
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.434
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C24 C 0.2979(17) 0.6872(12) 0.1868(10) 0.100(9) Uani 1 1 d G . .
C25 C 0.2211(16) 0.6749(13) 0.2348(13) 0.150(16) Uani 1 1 d G . .
H25A H 0.1799 0.6583 0.2258 0.180 Uiso 1 1 calc R . .
C26 C 0.2036(14) 0.6866(13) 0.2958(12) 0.20(3) Uani 1 1 d G . .
H26A H 0.1502 0.6788 0.3253 0.242 Uiso 1 1 calc R . .
C27 C 0.2612(16) 0.7089(12) 0.3140(10) 0.20(3) Uani 1 1 d GD . .
C28 C 0.3383(15) 0.7198(14) 0.2671(12) 0.20(2) Uani 1 1 d G . .
H28A H 0.3802 0.7351 0.2769 0.237 Uiso 1 1 calc R . .
C29 C 0.3554(15) 0.7089(14) 0.2063(11) 0.136(13) Uani 1 1 d G . .
H29A H 0.4090 0.7167 0.1771 0.164 Uiso 1 1 calc R . .
C127 C 0.242(2) 0.7224(19) 0.3808(12) 0.37(5) Uiso 1 1 d GD . .
C128 C 0.240(3) 0.796(2) 0.367(2) 0.41(6) Uiso 1 1 d GD . .
H12A H 0.2972 0.8068 0.3432 0.622 Uiso 1 1 calc R . .
H12B H 0.2251 0.8049 0.4089 0.622 Uiso 1 1 calc R . .
H12C H 0.1962 0.8247 0.3394 0.622 Uiso 1 1 calc R . .
C129 C 0.292(3) 0.666(2) 0.4278(12) 0.49(8) Uiso 1 1 d GD . .
H12D H 0.3544 0.6638 0.4106 0.738 Uiso 1 1 calc R . .
H12E H 0.2775 0.6234 0.4330 0.738 Uiso 1 1 calc R . .
H12F H 0.2770 0.6719 0.4710 0.738 Uiso 1 1 calc R . .
C130 C 0.145(3) 0.715(3) 0.4190(15) 0.64(12) Uiso 1 1 d GD . .
H13A H 0.1337 0.7234 0.4608 0.963 Uiso 1 1 calc R . .
H13B H 0.1378 0.6691 0.4285 0.963 Uiso 1 1 calc R . .
H13C H 0.1036 0.7473 0.3911 0.963 Uiso 1 1 calc R . .
C42 C -0.039(2) 0.3569(16) 0.4140(15) 0.176(15) Uani 1 1 d GU . .
C43 C 0.018(2) 0.3347(17) 0.4602(18) 0.203(18) Uani 1 1 d GU . .
H43A H 0.0294 0.3670 0.4734 0.244 Uiso 1 1 calc R . .
C44 C 0.057(2) 0.2662(18) 0.4875(15) 0.25(2) Uani 1 1 d GU . .
H44A H 0.0959 0.2545 0.5171 0.296 Uiso 1 1 calc R . .
C45 C 0.0417(18) 0.2155(16) 0.4726(14) 0.28(3) Uani 1 1 d GDU . .
C46 C -0.016(2) 0.2372(18) 0.4278(16) 0.24(2) Uani 1 1 d GU . .
H46A H -0.0287 0.2046 0.4158 0.286 Uiso 1 1 calc R . .
C47 C -0.054(2) 0.305(2) 0.4003(14) 0.208(19) Uani 1 1 d GU . .
H47A H -0.0930 0.3163 0.3708 0.249 Uiso 1 1 calc R . .
C123 C 0.085(3) 0.1398(16) 0.502(2) 0.52(9) Uiso 1 1 d GD . .
C124 C 0.141(3) 0.114(2) 0.446(3) 0.500 Uiso 1 1 d GD . .
H12G H 0.1037 0.1168 0.4169 0.750 Uiso 1 1 calc R . .
H12H H 0.1705 0.0676 0.4649 0.750 Uiso 1 1 calc R . .
H12I H 0.1843 0.1424 0.4200 0.750 Uiso 1 1 calc R . .
C125 C 0.022(3) 0.1042(17) 0.556(3) 0.52(9) Uiso 1 1 d GD . .
H12J H -0.0267 0.1047 0.5377 0.786 Uiso 1 1 calc R . .
H12K H -0.0002 0.1268 0.5891 0.786 Uiso 1 1 calc R . .
H12L H 0.0500 0.0576 0.5770 0.786 Uiso 1 1 calc R . .
C126 C 0.156(3) 0.132(2) 0.543(3) 0.54(9) Uiso 1 1 d GD . .
H12M H 0.1835 0.0847 0.5614 0.815 Uiso 1 1 calc R . .
H12N H 0.1281 0.1497 0.5799 0.815 Uiso 1 1 calc R . .
H12O H 0.2012 0.1578 0.5140 0.815 Uiso 1 1 calc R . .
C36 C -0.1098(19) 0.2954(15) 0.2207(13) 0.158(16) Uani 1 1 d GDU . .
C37 C -0.183(2) 0.3113(11) 0.2681(15) 0.21(2) Uani 1 1 d GDU . .
H37A H -0.2113 0.3570 0.2600 0.258 Uiso 1 1 calc R . .
C38 C -0.2141(18) 0.2617(13) 0.3272(14) 0.25(2) Uani 1 1 d GDU . .
H38A H -0.2620 0.2756 0.3577 0.295 Uiso 1 1 calc R . .
C39 C -0.1778(17) 0.1937(12) 0.3420(12) 0.23(2) Uani 1 1 d GDU . .
C40 C -0.107(2) 0.1775(12) 0.2944(14) 0.24(2) Uani 1 1 d GDU . .
H40A H -0.0792 0.1317 0.3020 0.291 Uiso 1 1 calc R . .
C41 C -0.0748(19) 0.2266(16) 0.2362(13) 0.22(2) Uani 1 1 d GDU . .
H41A H -0.0270 0.2124 0.2058 0.260 Uiso 1 1 calc R . .
C119 C -0.211(3) 0.1386(16) 0.4072(15) 0.400 Uiso 1 1 d GD . .
C120 C -0.140(3) 0.102(2) 0.4481(16) 0.400 Uiso 1 1 d GD . .
H12P H -0.0909 0.0786 0.4230 0.600 Uiso 1 1 calc R . .
H12Q H -0.1623 0.0691 0.4899 0.600 Uiso 1 1 calc R . .
H12R H -0.1199 0.1346 0.4577 0.600 Uiso 1 1 calc R . .
C121 C -0.265(3) 0.104(2) 0.391(2) 0.51(9) Uiso 1 1 d GD . .
H12S H -0.2277 0.0805 0.3615 0.771 Uiso 1 1 calc R . .
H12T H -0.3113 0.1380 0.3699 0.771 Uiso 1 1 calc R . .
H12U H -0.2897 0.0723 0.4326 0.771 Uiso 1 1 calc R . .
C122 C -0.284(3) 0.173(2) 0.4556(16) 0.42(6) Uiso 1 1 d GD . .
H12V H -0.3050 0.1382 0.4962 0.636 Uiso 1 1 calc R . .
H12W H -0.3332 0.2006 0.4330 0.636 Uiso 1 1 calc R . .
H12X H -0.2594 0.2019 0.4670 0.636 Uiso 1 1 calc R . .
Au1 Au 0.37625(8) 0.53881(6) 0.05971(6) 0.0787(3) Uani 1 1 d . . .
Au2 Au 0.43392(8) 0.42018(5) 0.02874(6) 0.0778(4) Uani 1 1 d . . .
Au3 Au 0.18678(8) 0.47536(6) 0.15962(6) 0.0872(4) Uani 1 1 d . . .
Au4 Au 0.18577(8) 0.63361(6) 0.02738(6) 0.0859(4) Uani 1 1 d . . .
Au5 Au 0.37660(9) 0.68442(6) -0.05258(6) 0.0883(4) Uani 1 1 d . . .
Au6 Au 0.57134(8) 0.45366(6) 0.07245(6) 0.0800(4) Uani 1 1 d . . .
Au7 Au 0.39113(9) 0.39049(6) 0.17911(6) 0.0855(4) Uani 1 1 d . . .
Au8 Au 0.27394(8) 0.50323(6) 0.00392(6) 0.0826(4) Uani 1 1 d . . .
Au9 Au 0.31270(9) 0.51280(7) 0.23284(6) 0.0957(4) Uani 1 1 d . . .
Au10 Au 0.00087(10) 0.41914(8) 0.23923(7) 0.1037(5) Uani 1 1 d . . .
Au11 Au 0.11136(10) 0.46375(7) 0.31916(7) 0.1047(5) Uani 1 1 d . . .
Au12 Au 0.09274(9) 0.42625(8) 0.06956(7) 0.0999(4) Uani 1 1 d . . .
S1 S -0.0336(6) 0.4809(5) 0.3102(5) 0.118(3) Uani 1 1 d . . .
S2 S 0.2627(5) 0.3627(4) 0.1792(4) 0.089(2) Uani 1 1 d . . .
S3 S 0.1655(5) 0.4836(4) -0.0345(4) 0.097(2) Uani 1 1 d . . .
S4 S 0.3847(5) 0.5861(4) 0.1377(3) 0.088(2) Uani 1 1 d . . .
S5 S 0.1113(5) 0.5882(4) 0.1359(4) 0.092(2) Uani 1 1 d . . .
S6 S 0.2521(6) 0.4444(5) 0.3371(4) 0.111(3) Uani 1 1 d . . .
S7 S 0.0285(6) 0.3559(5) 0.1707(4) 0.110(3) Uani 1 1 d . . .
S8 S 0.2457(6) 0.6914(4) -0.0829(4) 0.100(2) Uani 1 1 d . . .
S9 S 0.5168(6) 0.4143(4) 0.1890(4) 0.101(2) Uani 1 1 d . . .
S10 S 0.4966(5) 0.3081(4) 0.0263(4) 0.092(2) Uani 1 1 d . . .
C1 C 0.305(2) 0.6703(15) 0.1224(16) 0.107(10) Uani 1 1 d . . .
H1A H 0.3281 0.7051 0.0817 0.129 Uiso 1 1 calc R . .
H1B H 0.2481 0.6663 0.1185 0.129 Uiso 1 1 calc R . .
C2 C 0.184(2) 0.7804(16) -0.0937(18) 0.120(12) Uani 1 1 d . . .
H2A H 0.2159 0.8104 -0.1338 0.144 Uiso 1 1 calc R . .
H2B H 0.1271 0.7841 -0.1037 0.144 Uiso 1 1 calc R . .
C3 C 0.232(2) 0.4100(19) -0.0645(17) 0.119(11) Uani 1 1 d . . .
H3A H 0.2759 0.3827 -0.0364 0.143 Uiso 1 1 calc R . .
H3B H 0.1926 0.3808 -0.0598 0.143 Uiso 1 1 calc R . .
C4 C 0.0027(17) 0.5846(14) 0.1233(14) 0.085(8) Uani 1 1 d . . .
H4A H 0.0116 0.5505 0.1023 0.103 Uiso 1 1 calc R . .
H4B H -0.0361 0.5706 0.1670 0.103 Uiso 1 1 calc R . .
C5 C 0.444(2) 0.2468(15) 0.1045(19) 0.127(13) Uani 1 1 d . . .
H5A H 0.4235 0.2665 0.1404 0.152 Uiso 1 1 calc R . .
H5B H 0.3923 0.2381 0.0959 0.152 Uiso 1 1 calc R . .
C6 C 0.243(3) 0.4901(19) 0.3959(15) 0.128(13) Uani 1 1 d . . .
H6A H 0.3013 0.4976 0.3934 0.153 Uiso 1 1 calc R . .
H6B H 0.2040 0.5347 0.3822 0.153 Uiso 1 1 calc R . .
C7 C -0.085(2) 0.3547(17) 0.1644(16) 0.117(11) Uani 1 1 d . . .
H7A H -0.1258 0.3965 0.1678 0.141 Uiso 1 1 calc R . .
H7B H -0.0840 0.3505 0.1215 0.141 Uiso 1 1 calc R . .
C8 C -0.088(3) 0.427(2) 0.3924(18) 0.142(14) Uani 1 1 d . . .
H8A H -0.0937 0.4475 0.4265 0.170 Uiso 1 1 calc R . .
H8B H -0.1470 0.4274 0.3889 0.170 Uiso 1 1 calc R . .
C9 C 0.223(2) 0.3111(18) 0.2689(14) 0.111(11) Uani 1 1 d . . .
H9A H 0.2471 0.3212 0.2992 0.134 Uiso 1 1 calc R . .
H9B H 0.1585 0.3234 0.2797 0.134 Uiso 1 1 calc R . .
C10 C 0.589(3) 0.333(2) 0.2282(17) 0.134(13) Uani 1 1 d . . .
H10A H 0.6086 0.3066 0.1978 0.161 Uiso 1 1 calc R . .
H10B H 0.6409 0.3424 0.2348 0.161 Uiso 1 1 calc R . .
C12 C 0.250(2) 0.2364(13) 0.2790(15) 0.122(12) Uani 1 1 d D . .
C13 C 0.194(2) 0.2061(17) 0.2681(16) 0.157(17) Uani 1 1 d D . .
H13D H 0.1396 0.2319 0.2561 0.188 Uiso 1 1 calc R . .
C14 C 0.217(3) 0.1367(19) 0.275(2) 0.21(3) Uani 1 1 d D . .
H14A H 0.1785 0.1158 0.2684 0.253 Uiso 1 1 calc R . .
C15 C 0.299(3) 0.0992(13) 0.2913(19) 0.19(3) Uani 1 1 d D . .
C16 C 0.354(2) 0.1287(19) 0.305(2) 0.20(3) Uani 1 1 d D . .
H16A H 0.4073 0.1023 0.3189 0.246 Uiso 1 1 calc R . .
C17 C 0.332(2) 0.198(2) 0.298(2) 0.18(2) Uani 1 1 d D . .
H17A H 0.3698 0.2182 0.3055 0.213 Uiso 1 1 calc R . .
C18 C 0.542(2) 0.2902(18) 0.2963(14) 0.138(15) Uani 1 1 d D . .
C19 C 0.573(3) 0.220(2) 0.3169(18) 0.21(3) Uani 1 1 d D . .
H19A H 0.6173 0.2009 0.2882 0.257 Uiso 1 1 calc R . .
C20 C 0.538(3) 0.1788(17) 0.380(2) 0.26(4) Uani 1 1 d D . .
H20A H 0.5587 0.1316 0.3933 0.307 Uiso 1 1 calc R . .
C21 C 0.472(4) 0.207(2) 0.422(2) 0.29(5) Uani 1 1 d D . .
C22 C 0.442(4) 0.277(2) 0.4024(19) 0.27(4) Uani 1 1 d D . .
H22A H 0.4002 0.2968 0.4324 0.328 Uiso 1 1 calc R . .
C23 C 0.473(3) 0.3182(16) 0.3383(18) 0.17(2) Uani 1 1 d D . .
H23A H 0.4478 0.3648 0.3230 0.205 Uiso 1 1 calc R . .
C30 C 0.1675(19) 0.8078(15) -0.0411(14) 0.120(9) Uani 1 1 d DU . .
C31 C 0.0846(16) 0.8097(13) 0.0001(16) 0.138(10) Uani 1 1 d DU . .
H31A H 0.0413 0.7938 -0.0073 0.166 Uiso 1 1 calc R . .
C32 C 0.0664(17) 0.8353(17) 0.0519(17) 0.156(12) Uani 1 1 d DU . .
H32A H 0.0113 0.8351 0.0806 0.188 Uiso 1 1 calc R . .
C33 C 0.129(2) 0.8613(18) 0.0617(17) 0.148(11) Uani 1 1 d DU . .
C34 C 0.2131(19) 0.8566(18) 0.0230(18) 0.139(10) Uani 1 1 d DU . .
H34A H 0.2570 0.8705 0.0319 0.167 Uiso 1 1 calc R . .
C35 C 0.2315(16) 0.8307(16) -0.0293(16) 0.130(10) Uani 1 1 d DU . .
H35A H 0.2875 0.8289 -0.0566 0.156 Uiso 1 1 calc R . .
C48 C 0.5083(17) 0.1815(13) 0.1259(16) 0.107(10) Uani 1 1 d D . .
C49 C 0.548(2) 0.1693(16) 0.1795(16) 0.137(15) Uani 1 1 d D . .
H49A H 0.5336 0.2017 0.2008 0.164 Uiso 1 1 calc R . .
C50 C 0.608(2) 0.109(2) 0.2016(16) 0.171(19) Uani 1 1 d D . .
H50A H 0.6352 0.1014 0.2373 0.206 Uiso 1 1 calc R . .
C51 C 0.629(3) 0.0596(16) 0.171(2) 0.16(2) Uani 1 1 d D . .
C52 C 0.590(3) 0.0726(18) 0.117(2) 0.18(2) Uani 1 1 d D . .
H52A H 0.6044 0.0403 0.0952 0.220 Uiso 1 1 calc R . .
C53 C 0.531(2) 0.1332(19) 0.0940(17) 0.142(15) Uani 1 1 d D . .
H53A H 0.5066 0.1418 0.0569 0.171 Uiso 1 1 calc R . .
C54 C 0.2769(18) 0.4359(14) -0.1375(12) 0.097(9) Uani 1 1 d D . .
C55 C 0.2309(16) 0.4589(16) -0.1897(15) 0.141(14) Uani 1 1 d D . .
H55A H 0.1699 0.4614 -0.1799 0.169 Uiso 1 1 calc R . .
C56 C 0.274(2) 0.4780(18) -0.2565(14) 0.139(14) Uani 1 1 d D . .
H56A H 0.2421 0.4926 -0.2912 0.166 Uiso 1 1 calc R . .
C57 C 0.364(2) 0.476(2) -0.2716(13) 0.128(13) Uani 1 1 d D . .
C58 C 0.4105(15) 0.450(2) -0.2192(17) 0.144(16) Uani 1 1 d D . .
H58A H 0.4719 0.4446 -0.2289 0.172 Uiso 1 1 calc R . .
C59 C 0.3671(19) 0.4318(18) -0.1526(15) 0.127(13) Uani 1 1 d D . .
H59A H 0.3989 0.4167 -0.1178 0.153 Uiso 1 1 calc R . .
C60 C -0.0417(16) 0.6545(12) 0.0783(12) 0.088(8) Uani 1 1 d D . .
C61 C -0.0948(17) 0.7046(15) 0.1023(12) 0.117(11) Uani 1 1 d D . .
H61A H -0.1014 0.6988 0.1479 0.141 Uiso 1 1 calc R . .
C62 C -0.1391(18) 0.7640(14) 0.0604(17) 0.124(12) Uani 1 1 d D . .
H62A H -0.1748 0.7981 0.0774 0.149 Uiso 1 1 calc R . .
C63 C -0.130(2) 0.7723(15) -0.0073(16) 0.124(12) Uani 1 1 d D . .
C64 C -0.075(2) 0.7224(16) -0.0314(11) 0.116(11) Uani 1 1 d D . .
H64A H -0.0657 0.7289 -0.0774 0.139 Uiso 1 1 calc R . .
C65 C -0.0323(17) 0.6631(13) 0.0106(13) 0.098(9) Uani 1 1 d D . .
H65A H 0.0029 0.6287 -0.0062 0.118 Uiso 1 1 calc R . .
C66 C 0.208(2) 0.4494(17) 0.4673(13) 0.139(12) Uani 1 1 d DU . .
C67 C 0.270(2) 0.400(2) 0.5027(17) 0.204(19) Uani 1 1 d DU . .
H67A H 0.3301 0.3950 0.4825 0.245 Uiso 1 1 calc R . .
C68 C 0.244(2) 0.358(2) 0.5690(17) 0.199(19) Uani 1 1 d DU . .
H68A H 0.2856 0.3255 0.5936 0.239 Uiso 1 1 calc R . .
C69 C 0.155(3) 0.3656(18) 0.5979(13) 0.150(14) Uani 1 1 d DU . .
C70 C 0.093(2) 0.416(2) 0.5633(18) 0.170(16) Uani 1 1 d DU . .
H70A H 0.0341 0.4237 0.5845 0.204 Uiso 1 1 calc R . .
C71 C 0.119(2) 0.4566(19) 0.4969(18) 0.161(15) Uani 1 1 d DU . .
H71A H 0.0769 0.4885 0.4722 0.193 Uiso 1 1 calc R . .
C72 C -0.182(3) 0.841(3) -0.056(2) 0.158(15) Uiso 1 1 d . . .
C73 C -0.235(4) 0.814(3) -0.083(3) 0.24(3) Uiso 1 1 d . . .
H73A H -0.2708 0.8514 -0.1128 0.356 Uiso 1 1 calc R . .
H73B H -0.2736 0.7866 -0.0466 0.356 Uiso 1 1 calc R . .
H73C H -0.1958 0.7855 -0.1086 0.356 Uiso 1 1 calc R . .
C74 C -0.121(4) 0.871(3) -0.121(3) 0.23(3) Uiso 1 1 d . . .
H74A H -0.1535 0.9125 -0.1489 0.341 Uiso 1 1 calc R . .
H74B H -0.0990 0.8385 -0.1447 0.341 Uiso 1 1 calc R . .
H74C H -0.0726 0.8807 -0.1111 0.341 Uiso 1 1 calc R . .
C75 C -0.220(3) 0.894(3) -0.017(3) 0.19(2) Uiso 1 1 d . . .
H75A H -0.2515 0.9354 -0.0446 0.286 Uiso 1 1 calc R . .
H75B H -0.1713 0.9033 -0.0061 0.286 Uiso 1 1 calc R . .
H75C H -0.2589 0.8743 0.0246 0.286 Uiso 1 1 calc R . .
C76 C 0.103(3) 0.892(3) 0.120(3) 0.165(17) Uiso 1 1 d . . .
C77 C 0.039(5) 0.865(4) 0.185(4) 0.28(3) Uiso 1 1 d . . .
H77A H 0.0311 0.8920 0.2135 0.419 Uiso 1 1 calc R . .
H77B H 0.0620 0.8180 0.2089 0.419 Uiso 1 1 calc R . .
H77C H -0.0176 0.8691 0.1751 0.419 Uiso 1 1 calc R . .
C78 C 0.041(4) 0.965(4) 0.096(3) 0.26(3) Uiso 1 1 d . . .
H78A H 0.0241 0.9851 0.1309 0.387 Uiso 1 1 calc R . .
H78B H -0.0117 0.9610 0.0857 0.387 Uiso 1 1 calc R . .
H78C H 0.0722 0.9946 0.0557 0.387 Uiso 1 1 calc R . .
C79 C 0.176(4) 0.901(3) 0.137(3) 0.24(3) Uiso 1 1 d . . .
H79A H 0.1554 0.9207 0.1727 0.365 Uiso 1 1 calc R . .
H79B H 0.2063 0.9322 0.0978 0.365 Uiso 1 1 calc R . .
H79C H 0.2154 0.8581 0.1519 0.365 Uiso 1 1 calc R . .
C83 C 0.790(4) 0.011(4) 0.200(3) 0.27(3) Uiso 1 1 d . . .
H83A H 0.8373 -0.0277 0.2121 0.411 Uiso 1 1 calc R . .
H83B H 0.7702 0.0317 0.2345 0.411 Uiso 1 1 calc R . .
H83C H 0.8100 0.0439 0.1574 0.411 Uiso 1 1 calc R . .
C84 C 0.756(5) -0.044(4) 0.138(4) 0.32(4) Uiso 1 1 d . . .
H84A H 0.7979 -0.0844 0.1564 0.484 Uiso 1 1 calc R . .
H84B H 0.7866 -0.0099 0.1028 0.484 Uiso 1 1 calc R . .
H84C H 0.7155 -0.0544 0.1202 0.484 Uiso 1 1 calc R . .
C85 C 0.673(5) -0.049(4) 0.259(4) 0.28(4) Uiso 1 1 d . . .
H85A H 0.7139 -0.0915 0.2751 0.424 Uiso 1 1 calc R . .
H85B H 0.6166 -0.0582 0.2625 0.424 Uiso 1 1 calc R . .
H85C H 0.6672 -0.0209 0.2853 0.424 Uiso 1 1 calc R . .
C86 C 0.125(5) 0.246(4) 0.671(5) 0.42(6) Uiso 1 1 d D . .
H86A H 0.1087 0.2172 0.7175 0.632 Uiso 1 1 calc R . .
H86B H 0.1821 0.2245 0.6519 0.632 Uiso 1 1 calc R . .
H86C H 0.0817 0.2511 0.6459 0.632 Uiso 1 1 calc R . .
C87 C 0.046(3) 0.336(3) 0.701(3) 0.22(2) Uiso 1 1 d D . .
H87A H 0.0297 0.3025 0.7447 0.324 Uiso 1 1 calc R . .
H87B H 0.0032 0.3459 0.6735 0.324 Uiso 1 1 calc R . .
H87C H 0.0475 0.3773 0.7074 0.324 Uiso 1 1 calc R . .
C88 C 0.130(3) 0.310(3) 0.670(3) 0.20(2) Uiso 1 1 d D . .
C91 C 0.391(6) 0.479(5) -0.390(4) 0.36(5) Uiso 1 1 d . . .
H91A H 0.4256 0.4963 -0.4345 0.533 Uiso 1 1 calc R . .
H91B H 0.3288 0.4945 -0.3927 0.533 Uiso 1 1 calc R . .
H91C H 0.4047 0.4295 -0.3743 0.533 Uiso 1 1 calc R . .
C102 C 0.507(5) 0.487(4) -0.359(3) 0.27(3) Uiso 1 1 d . . .
H10C H 0.5286 0.5044 -0.4066 0.403 Uiso 1 1 calc R . .
H10D H 0.5283 0.4387 -0.3413 0.403 Uiso 1 1 calc R . .
H10E H 0.5286 0.5092 -0.3366 0.403 Uiso 1 1 calc R . .
C104 C 0.188(4) 0.297(4) 0.712(4) 0.36(5) Uiso 1 1 d D . .
H10F H 0.1711 0.2632 0.7553 0.545 Uiso 1 1 calc R . .
H10G H 0.1873 0.3386 0.7189 0.545 Uiso 1 1 calc R . .
H10H H 0.2474 0.2799 0.6920 0.545 Uiso 1 1 calc R . .
C101 C 0.410(4) 0.503(3) -0.345(3) 0.172(18) Uiso 1 1 d . . .
C103 C 0.381(5) 0.577(4) -0.383(4) 0.30(4) Uiso 1 1 d . . .
H10I H 0.4136 0.5890 -0.4282 0.454 Uiso 1 1 calc R . .
H10J H 0.3913 0.6043 -0.3603 0.454 Uiso 1 1 calc R . .
H10K H 0.3185 0.5871 -0.3833 0.454 Uiso 1 1 calc R . .
C107 C 0.705(4) -0.016(3) 0.193(4) 0.21(2) Uiso 1 1 d . . .
C115 C 0.439(4) 0.154(3) 0.499(3) 0.38(6) Uiso 1 1 d D . .
C116 C 0.456(7) 0.192(5) 0.533(6) 0.50(8) Uiso 1 1 d D . .
H11A H 0.4404 0.1695 0.5813 0.750 Uiso 1 1 calc R . .
H11B H 0.4213 0.2373 0.5200 0.750 Uiso 1 1 calc R . .
H11C H 0.5179 0.1933 0.5213 0.750 Uiso 1 1 calc R . .
C117 C 0.351(7) 0.166(7) 0.491(8) 0.63(12) Uiso 1 1 d D . .
H11D H 0.3172 0.1398 0.5321 0.946 Uiso 1 1 calc R . .
H11E H 0.3502 0.1524 0.4543 0.946 Uiso 1 1 calc R . .
H11F H 0.3254 0.2140 0.4813 0.946 Uiso 1 1 calc R . .
C118 C 0.487(6) 0.086(5) 0.513(5) 0.44(7) Uiso 1 1 d D . .
H11G H 0.4655 0.0587 0.5586 0.661 Uiso 1 1 calc R . .
H11H H 0.5485 0.0848 0.5069 0.661 Uiso 1 1 calc R . .
H11I H 0.4779 0.0671 0.4821 0.661 Uiso 1 1 calc R . .
C131 C 0.329(3) 0.016(2) 0.303(3) 0.27(3) Uiso 1 1 d D . .
C132 C 0.260(5) -0.004(5) 0.350(4) 0.38(5) Uiso 1 1 d D . .
H13E H 0.2661 -0.0529 0.3613 0.565 Uiso 1 1 calc R . .
H13F H 0.2063 0.0193 0.3321 0.565 Uiso 1 1 calc R . .
H13G H 0.2573 0.0056 0.3896 0.565 Uiso 1 1 calc R . .
C133 C 0.405(5) -0.004(6) 0.325(4) 0.46(7) Uiso 1 1 d D . .
H13H H 0.4269 -0.0515 0.3313 0.684 Uiso 1 1 calc R . .
H13I H 0.3955 0.0035 0.3674 0.684 Uiso 1 1 calc R . .
H13J H 0.4467 0.0226 0.2921 0.684 Uiso 1 1 calc R . .
C134 C 0.333(5) 0.013(4) 0.244(3) 0.32(4) Uiso 1 1 d D . .
H13K H 0.3508 -0.0344 0.2462 0.481 Uiso 1 1 calc R . .
H13L H 0.3755 0.0384 0.2106 0.481 Uiso 1 1 calc R . .
H13M H 0.2757 0.0316 0.2308 0.481 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C24 C29 1.3663 . ?
C24 C25 1.3912 . ?
C24 C1 1.55(4) . ?
C25 C26 1.3876 . ?
C25 H25A 0.9300 . ?
C26 C27 1.3574 . ?
C26 H26A 0.9300 . ?
C27 C28 1.3799 . ?
C27 C127 1.5302 . ?
C28 C29 1.3754 . ?
C28 H28A 0.9300 . ?
C29 H29A 0.9300 . ?
C127 C129 1.4466 . ?
C127 C128 1.4935 . ?
C127 C130 1.5736 . ?
C128 H12A 0.9600 . ?
C128 H12B 0.9600 . ?
C128 H12C 0.9600 . ?
C129 H12D 0.9600 . ?
C129 H12E 0.9600 . ?
C129 H12F 0.9600 . ?
C130 H13A 0.9600 . ?
C130 H13B 0.9600 . ?
C130 H13C 0.9600 . ?
C42 C47 1.3663 . ?
C42 C43 1.3912 . ?
C42 C8 1.45(5) . ?
C43 C44 1.3877 . ?
C43 H43A 0.9300 . ?
C44 C45 1.3574 . ?
C44 H44A 0.9300 . ?
C45 C46 1.3800 . ?
C45 C123 1.5301 . ?
C46 C47 1.3753 . ?
C46 H46A 0.9300 . ?
C47 H47A 0.9300 . ?
C123 C125 1.4466 . ?
C123 C124 1.4935 . ?
C123 C126 1.5736 . ?
C124 H12G 0.9600 . ?
C124 H12H 0.9600 . ?
C124 H12I 0.9600 . ?
C125 H12J 0.9600 . ?
C125 H12K 0.9600 . ?
C125 H12L 0.9600 . ?
C126 H12M 0.9600 . ?
C126 H12N 0.9600 . ?
C126 H12O 0.9600 . ?
C36 C41 1.3663 . ?
C36 C37 1.3912 . ?
C36 C7 1.45(4) . ?
C37 C38 1.3877 . ?
C37 H37A 0.9300 . ?
C38 C39 1.3573 . ?
C38 H38A 0.9300 . ?
C39 C40 1.3800 . ?
C39 C119 1.5301 . ?
C40 C41 1.3753 . ?
C40 H40A 0.9300 . ?
C41 H41A 0.9300 . ?
C119 C121 1.4466 . ?
C119 C120 1.4936 . ?
C119 C122 1.5737 . ?
C120 H12P 0.9600 . ?
C120 H12Q 0.9600 . ?
C120 H12R 0.9600 . ?
C121 H12S 0.9600 . ?
C121 H12T 0.9600 . ?
C121 H12U 0.9600 . ?
C122 H12V 0.9600 . ?
C122 H12W 0.9600 . ?
C122 H12X 0.9600 . ?
Au1 S4 2.351(7) . ?
Au1 Au8 2.7000(16) . ?
Au1 Au6 2.7231(16) 2_665 ?
Au1 Au2 2.7458(16) . ?
Au1 Au5 3.1370(15) . ?
Au1 Au6 3.1626(17) . ?
Au1 Au7 3.2330(15) . ?
Au1 Au4 3.2348(17) . ?
Au1 Au2 3.2700(16) 2_665 ?
Au2 S10 2.357(7) . ?
Au2 Au8 2.7281(17) . ?
Au2 Au6 2.7477(15) 2_665 ?
Au2 Au6 2.9762(17) . ?
Au2 Au7 2.9993(16) . ?
Au2 Au5 3.2561(17) 2_665 ?
Au2 Au1 3.2700(16) 2_665 ?
Au3 S5 2.311(8) . ?
Au3 S2 2.316(7) . ?
Au3 Au8 3.1787(17) . ?
Au3 Au11 3.2864(18) . ?
Au3 Au10 3.3002(18) . ?
Au3 Au7 3.3109(18) . ?
Au3 Au9 3.3114(19) . ?
Au3 Au12 3.3776(19) . ?
Au4 S5 2.296(7) . ?
Au4 S8 2.306(8) . ?
Au4 Au8 2.9413(17) . ?
Au4 Au5 3.3223(17) . ?
Au5 S8 2.311(8) . ?
Au5 S10 2.316(8) 2_665 ?
Au5 Au6 3.0289(17) 2_665 ?
Au5 Au2 3.2561(17) 2_665 ?
Au6 S9 2.335(7) . ?
Au6 Au1 2.7231(16) 2_665 ?
Au6 Au2 2.7477(15) 2_665 ?
Au6 Au8 2.7554(17) 2_665 ?
Au6 Au5 3.0289(17) 2_665 ?
Au7 S9 2.294(8) . ?
Au7 S2 2.297(8) . ?
Au7 Au9 3.1075(19) . ?
Au8 S3 2.321(7) . ?
Au8 Au6 2.7554(17) 2_665 ?
Au9 S6 2.294(8) . ?
Au9 S4 2.298(7) . ?
Au10 S7 2.278(9) . ?
Au10 S1 2.282(10) . ?
Au10 Au11 3.327(2) . ?
Au11 S6 2.283(10) . ?
Au11 S1 2.292(10) . ?
Au12 S3 2.281(8) . ?
Au12 S7 2.290(9) . ?
S1 C8 1.84(4) . ?
S2 C9 1.87(3) . ?
S3 C3 1.88(3) . ?
S4 C1 1.87(3) . ?
S5 C4 1.86(3) . ?
S6 C6 1.86(3) . ?
S7 C7 1.86(4) . ?
S8 C2 1.85(3) . ?
S9 C10 1.83(4) . ?
S10 C5 1.86(3) . ?
S10 Au5 2.316(8) 2_665 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C30 1.42(4) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C54 1.51(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C60 1.53(3) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C48 1.48(4) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C66 1.50(4) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C12 1.49(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C18 1.53(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C12 C13 1.37(2) . ?
C12 C17 1.40(2) . ?
C13 C14 1.40(2) . ?
C13 H13D 0.9300 . ?
C14 C15 1.39(2) . ?
C14 H14A 0.9300 . ?
C15 C16 1.37(2) . ?
C15 C131 1.64(3) . ?
C16 C17 1.38(2) . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9300 . ?
C18 C19 1.38(2) . ?
C18 C23 1.38(2) . ?
C19 C20 1.37(2) . ?
C19 H19A 0.9300 . ?
C20 C21 1.37(2) . ?
C20 H20A 0.9300 . ?
C21 C22 1.38(2) . ?
C21 C115 1.66(3) . ?
C22 C23 1.37(2) . ?
C22 H22A 0.9300 . ?
C23 H23A 0.9300 . ?
C30 C35 1.37(2) . ?
C30 C31 1.38(2) . ?
C31 C32 1.37(2) . ?
C31 H31A 0.9300 . ?
C32 C33 1.37(2) . ?
C32 H32A 0.9300 . ?
C33 C34 1.38(2) . ?
C33 C76 1.56(5) . ?
C34 C35 1.38(2) . ?
C34 H34A 0.9300 . ?
C35 H35A 0.9300 . ?
C48 C49 1.38(2) . ?
C48 C53 1.38(2) . ?
C49 C50 1.38(2) . ?
C49 H49A 0.9300 . ?
C50 C51 1.38(2) . ?
C50 H50A 0.9300 . ?
C51 C52 1.39(2) . ?
C51 C107 1.71(7) . ?
C52 C53 1.37(2) . ?
C52 H52A 0.9300 . ?
C53 H53A 0.9300 . ?
C54 C59 1.37(2) . ?
C54 C55 1.38(2) . ?
C55 C56 1.38(2) . ?
C55 H55A 0.9300 . ?
C56 C57 1.38(2) . ?
C56 H56A 0.9300 . ?
C57 C58 1.37(2) . ?
C57 C101 1.52(6) . ?
C58 C59 1.38(2) . ?
C58 H58A 0.9300 . ?
C59 H59A 0.9300 . ?
C60 C61 1.36(2) . ?
C60 C65 1.38(2) . ?
C61 C62 1.38(2) . ?
C61 H61A 0.9300 . ?
C62 C63 1.38(2) . ?
C62 H62A 0.9300 . ?
C63 C64 1.37(2) . ?
C63 C72 1.60(5) . ?
C64 C65 1.37(2) . ?
C64 H64A 0.9300 . ?
C65 H65A 0.9300 . ?
C66 C67 1.38(2) . ?
C66 C71 1.38(2) . ?
C67 C68 1.40(2) . ?
C67 H67A 0.9300 . ?
C68 C69 1.38(2) . ?
C68 H68A 0.9300 . ?
C69 C70 1.37(2) . ?
C69 C88 1.58(7) . ?
C70 C71 1.38(2) . ?
C70 H70A 0.9300 . ?
C71 H71A 0.9300 . ?
C72 C73 1.51(7) . ?
C72 C74 1.51(6) . ?
C72 C75 1.57(6) . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C76 C79 1.41(7) . ?
C76 C77 1.51(7) . ?
C76 C78 1.59(7) . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C83 C107 1.67(8) . ?
C83 H83A 0.9600 . ?
C83 H83B 0.9600 . ?
C83 H83C 0.9600 . ?
C84 C107 1.48(8) . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C85 C107 1.35(8) . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C86 C88 1.40(4) . ?
C86 H86A 0.9600 . ?
C86 H86B 0.9600 . ?
C86 H86C 0.9600 . ?
C87 C88 1.39(4) . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
C88 C104 1.40(4) . ?
C91 C101 1.41(9) . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
C102 C101 1.47(7) . ?
C102 H10C 0.9600 . ?
C102 H10D 0.9600 . ?
C102 H10E 0.9600 . ?
C104 H10F 0.9600 . ?
C104 H10G 0.9600 . ?
C104 H10H 0.9600 . ?
C101 C103 1.49(8) . ?
C103 H10I 0.9600 . ?
C103 H10J 0.9600 . ?
C103 H10K 0.9600 . ?
C115 C118 1.40(7) . ?
C115 C117 1.41(7) . ?
C115 C116 1.41(7) . ?
C116 H11A 0.9600 . ?
C116 H11B 0.9600 . ?
C116 H11C 0.9600 . ?
C117 H11D 0.9600 . ?
C117 H11E 0.9600 . ?
C117 H11F 0.9600 . ?
C118 H11G 0.9600 . ?
C118 H11H 0.9600 . ?
C118 H11I 0.9600 . ?
C131 C134 1.32(5) . ?
C131 C132 1.32(5) . ?
C131 C133 1.32(5) . ?
C132 H13E 0.9600 . ?
C132 H13F 0.9600 . ?
C132 H13G 0.9600 . ?
C133 H13H 0.9600 . ?
C133 H13I 0.9600 . ?
C133 H13J 0.9600 . ?
C134 H13K 0.9600 . ?
C134 H13L 0.9600 . ?
C134 H13M 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C29 C24 C25 114.0 . . ?
C29 C24 C1 131(2) . . ?
C25 C24 C1 115(2) . . ?
C26 C25 C24 122.6 . . ?
C26 C25 H25A 118.7 . . ?
C24 C25 H25A 118.7 . . ?
C27 C26 C25 122.5 . . ?
C27 C26 H26A 118.7 . . ?
C25 C26 H26A 118.7 . . ?
C26 C27 C28 115.1 . . ?
C26 C27 C127 123.0 . . ?
C28 C27 C127 121.9 . . ?
C29 C28 C27 122.5 . . ?
C29 C28 H28A 118.7 . . ?
C27 C28 H28A 118.7 . . ?
C24 C29 C28 123.3 . . ?
C24 C29 H29A 118.3 . . ?
C28 C29 H29A 118.3 . . ?
C129 C127 C128 124.1 . . ?
C129 C127 C27 108.9 . . ?
C128 C127 C27 110.0 . . ?
C129 C127 C130 100.1 . . ?
C128 C127 C130 102.3 . . ?
C27 C127 C130 110.2 . . ?
C127 C128 H12A 109.5 . . ?
C127 C128 H12B 109.5 . . ?
H12A C128 H12B 109.5 . . ?
C127 C128 H12C 109.5 . . ?
H12A C128 H12C 109.5 . . ?
H12B C128 H12C 109.5 . . ?
C127 C129 H12D 109.5 . . ?
C127 C129 H12E 109.5 . . ?
H12D C129 H12E 109.5 . . ?
C127 C129 H12F 109.5 . . ?
H12D C129 H12F 109.5 . . ?
H12E C129 H12F 109.5 . . ?
C127 C130 H13A 109.5 . . ?
C127 C130 H13B 109.5 . . ?
H13A C130 H13B 109.5 . . ?
C127 C130 H13C 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
C47 C42 C43 114.0 . . ?
C47 C42 C8 124(3) . . ?
C43 C42 C8 122(3) . . ?
C44 C43 C42 122.6 . . ?
C44 C43 H43A 118.7 . . ?
C42 C43 H43A 118.7 . . ?
C45 C44 C43 122.5 . . ?
C45 C44 H44A 118.7 . . ?
C43 C44 H44A 118.7 . . ?
C44 C45 C46 115.1 . . ?
C44 C45 C123 123.1 . . ?
C46 C45 C123 121.9 . . ?
C47 C46 C45 122.5 . . ?
C47 C46 H46A 118.7 . . ?
C45 C46 H46A 118.7 . . ?
C42 C47 C46 123.3 . . ?
C42 C47 H47A 118.4 . . ?
C46 C47 H47A 118.4 . . ?
C125 C123 C124 124.1 . . ?
C125 C123 C45 108.9 . . ?
C124 C123 C45 110.0 . . ?
C125 C123 C126 100.1 . . ?
C124 C123 C126 102.3 . . ?
C45 C123 C126 110.2 . . ?
C123 C124 H12G 109.5 . . ?
C123 C124 H12H 109.5 . . ?
H12G C124 H12H 109.5 . . ?
C123 C124 H12I 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
C123 C125 H12J 109.5 . . ?
C123 C125 H12K 109.5 . . ?
H12J C125 H12K 109.5 . . ?
C123 C125 H12L 109.5 . . ?
H12J C125 H12L 109.5 . . ?
H12K C125 H12L 109.5 . . ?
C123 C126 H12M 109.5 . . ?
C123 C126 H12N 109.5 . . ?
H12M C126 H12N 109.5 . . ?
C123 C126 H12O 109.5 . . ?
H12M C126 H12O 109.5 . . ?
H12N C126 H12O 109.5 . . ?
C41 C36 C37 114.0 . . ?
C41 C36 C7 132(3) . . ?
C37 C36 C7 114(3) . . ?
C38 C37 C36 122.6 . . ?
C38 C37 H37A 118.7 . . ?
C36 C37 H37A 118.7 . . ?
C39 C38 C37 122.5 . . ?
C39 C38 H38A 118.7 . . ?
C37 C38 H38A 118.7 . . ?
C38 C39 C40 115.1 . . ?
C38 C39 C119 123.0 . . ?
C40 C39 C119 121.9 . . ?
C41 C40 C39 122.5 . . ?
C41 C40 H40A 118.7 . . ?
C39 C40 H40A 118.7 . . ?
C36 C41 C40 123.3 . . ?
C36 C41 H41A 118.3 . . ?
C40 C41 H41A 118.3 . . ?
C121 C119 C120 124.1 . . ?
C121 C119 C39 108.9 . . ?
C120 C119 C39 110.0 . . ?
C121 C119 C122 100.1 . . ?
C120 C119 C122 102.3 . . ?
C39 C119 C122 110.2 . . ?
C119 C120 H12P 109.5 . . ?
C119 C120 H12Q 109.5 . . ?
H12P C120 H12Q 109.5 . . ?
C119 C120 H12R 109.5 . . ?
H12P C120 H12R 109.5 . . ?
H12Q C120 H12R 109.5 . . ?
C119 C121 H12S 109.5 . . ?
C119 C121 H12T 109.5 . . ?
H12S C121 H12T 109.5 . . ?
C119 C121 H12U 109.5 . . ?
H12S C121 H12U 109.5 . . ?
H12T C121 H12U 109.5 . . ?
C119 C122 H12V 109.5 . . ?
C119 C122 H12W 109.5 . . ?
H12V C122 H12W 109.5 . . ?
C119 C122 H12X 109.5 . . ?
H12V C122 H12X 109.5 . . ?
H12W C122 H12X 109.5 . . ?
S4 Au1 Au8 148.2(2) . . ?
S4 Au1 Au6 143.34(19) . 2_665 ?
Au8 Au1 Au6 61.07(4) . 2_665 ?
S4 Au1 Au2 141.41(19) . . ?
Au8 Au1 Au2 60.12(4) . . ?
Au6 Au1 Au2 60.32(4) 2_665 . ?
S4 Au1 Au5 88.46(18) . . ?
Au8 Au1 Au5 93.90(5) . . ?
Au6 Au1 Au5 61.77(4) 2_665 . ?
Au2 Au1 Au5 122.03(5) . . ?
S4 Au1 Au6 88.40(19) . . ?
Au8 Au1 Au6 119.70(5) . . ?
Au6 Au1 Au6 83.92(5) 2_665 . ?
Au2 Au1 Au6 60.00(4) . . ?
Au5 Au1 Au6 111.54(5) . . ?
S4 Au1 Au7 88.11(18) . . ?
Au8 Au1 Au7 91.07(4) . . ?
Au6 Au1 Au7 119.81(5) 2_665 . ?
Au2 Au1 Au7 59.56(4) . . ?
Au5 Au1 Au7 174.81(5) . . ?
Au6 Au1 Au7 64.47(4) . . ?
S4 Au1 Au4 95.25(19) . . ?
Au8 Au1 Au4 58.59(4) . . ?
Au6 Au1 Au4 89.69(5) 2_665 . ?
Au2 Au1 Au4 118.71(5) . . ?
Au5 Au1 Au4 62.83(4) . . ?
Au6 Au1 Au4 173.11(5) . . ?
Au7 Au1 Au4 121.39(5) . . ?
S4 Au1 Au2 89.12(19) . 2_665 ?
Au8 Au1 Au2 119.64(5) . 2_665 ?
Au6 Au1 Au2 58.71(4) 2_665 2_665 ?
Au2 Au1 Au2 86.78(5) . 2_665 ?
Au5 Au1 Au2 61.05(4) . 2_665 ?
Au6 Au1 Au2 50.54(3) . 2_665 ?
Au7 Au1 Au2 115.00(5) . 2_665 ?
Au4 Au1 Au2 123.53(4) . 2_665 ?
S10 Au2 Au8 131.2(2) . . ?
S10 Au2 Au1 166.4(2) . . ?
Au8 Au2 Au1 59.11(4) . . ?
S10 Au2 Au6 131.51(19) . 2_665 ?
Au8 Au2 Au6 60.42(4) . 2_665 ?
Au1 Au2 Au6 59.43(4) . 2_665 ?
S10 Au2 Au6 103.1(2) . . ?
Au8 Au2 Au6 125.60(5) . . ?
Au1 Au2 Au6 66.97(4) . . ?
Au6 Au2 Au6 87.14(4) 2_665 . ?
S10 Au2 Au7 99.85(19) . . ?
Au8 Au2 Au7 95.72(5) . . ?
Au1 Au2 Au7 68.33(4) . . ?
Au6 Au2 Au7 127.68(5) 2_665 . ?
Au6 Au2 Au7 69.63(4) . . ?
S10 Au2 Au5 45.32(19) . 2_665 ?
Au8 Au2 Au5 176.25(6) . 2_665 ?
Au1 Au2 Au5 124.57(5) . 2_665 ?
Au6 Au2 Au5 120.11(5) 2_665 2_665 ?
Au6 Au2 Au5 57.95(4) . 2_665 ?
Au7 Au2 Au5 86.71(4) . 2_665 ?
S10 Au2 Au1 87.01(19) . 2_665 ?
Au8 Au2 Au1 123.10(4) . 2_665 ?
Au1 Au2 Au1 93.22(5) . 2_665 ?
Au6 Au2 Au1 62.70(4) 2_665 2_665 ?
Au6 Au2 Au1 51.43(4) . 2_665 ?
Au7 Au2 Au1 120.46(5) . 2_665 ?
Au5 Au2 Au1 57.46(3) 2_665 2_665 ?
S5 Au3 S2 177.9(3) . . ?
S5 Au3 Au8 91.11(19) . . ?
S2 Au3 Au8 86.94(18) . . ?
S5 Au3 Au11 84.78(19) . . ?
S2 Au3 Au11 97.27(18) . . ?
Au8 Au3 Au11 171.62(6) . . ?
S5 Au3 Au10 91.20(19) . . ?
S2 Au3 Au10 89.30(19) . . ?
Au8 Au3 Au10 126.86(5) . . ?
Au11 Au3 Au10 60.67(4) . . ?
S5 Au3 Au7 136.6(2) . . ?
S2 Au3 Au7 43.90(19) . . ?
Au8 Au3 Au7 81.81(4) . . ?
Au11 Au3 Au7 96.17(4) . . ?
Au10 Au3 Au7 126.98(5) . . ?
S5 Au3 Au9 87.1(2) . . ?
S2 Au3 Au9 94.28(19) . . ?
Au8 Au3 Au9 109.00(5) . . ?
Au11 Au3 Au9 63.57(4) . . ?
Au10 Au3 Au9 124.13(5) . . ?
Au7 Au3 Au9 55.97(4) . . ?
S5 Au3 Au12 99.1(2) . . ?
S2 Au3 Au12 79.29(19) . . ?
Au8 Au3 Au12 63.12(4) . . ?
Au11 Au3 Au12 124.71(5) . . ?
Au10 Au3 Au12 64.11(4) . . ?
Au7 Au3 Au12 114.92(5) . . ?
Au9 Au3 Au12 169.84(6) . . ?
S5 Au4 S8 172.6(3) . . ?
S5 Au4 Au8 97.7(2) . . ?
S8 Au4 Au8 88.8(2) . . ?
S5 Au4 Au1 94.11(19) . . ?
S8 Au4 Au1 92.7(2) . . ?
Au8 Au4 Au1 51.58(4) . . ?
S5 Au4 Au5 139.7(2) . . ?
S8 Au4 Au5 44.0(2) . . ?
Au8 Au4 Au5 85.87(4) . . ?
Au1 Au4 Au5 57.14(3) . . ?
S8 Au5 S10 173.0(3) . 2_665 ?
S8 Au5 Au6 83.9(2) . 2_665 ?
S10 Au5 Au6 102.61(19) 2_665 2_665 ?
S8 Au5 Au1 95.18(19) . . ?
S10 Au5 Au1 90.94(17) 2_665 . ?
Au6 Au5 Au1 52.38(4) 2_665 . ?
S8 Au5 Au2 140.2(2) . 2_665 ?
S10 Au5 Au2 46.34(19) 2_665 2_665 ?
Au6 Au5 Au2 56.39(4) 2_665 2_665 ?
Au1 Au5 Au2 61.49(4) . 2_665 ?
S8 Au5 Au4 43.91(19) . . ?
S10 Au5 Au4 138.75(19) 2_665 . ?
Au6 Au5 Au4 83.08(4) 2_665 . ?
Au1 Au5 Au4 60.03(4) . . ?
Au2 Au5 Au4 121.19(4) 2_665 . ?
S9 Au6 Au1 161.7(2) . 2_665 ?
S9 Au6 Au2 135.6(2) . 2_665 ?
Au1 Au6 Au2 60.25(4) 2_665 2_665 ?
S9 Au6 Au8 133.2(2) . 2_665 ?
Au1 Au6 Au8 59.05(4) 2_665 2_665 ?
Au2 Au6 Au8 59.44(4) 2_665 2_665 ?
S9 Au6 Au2 97.4(2) . . ?
Au1 Au6 Au2 69.86(4) 2_665 . ?
Au2 Au6 Au2 92.86(4) 2_665 . ?
Au8 Au6 Au2 128.76(5) 2_665 . ?
S9 Au6 Au5 97.3(2) . 2_665 ?
Au1 Au6 Au5 65.85(4) 2_665 2_665 ?
Au2 Au6 Au5 126.04(5) 2_665 2_665 ?
Au8 Au6 Au5 95.21(5) 2_665 2_665 ?
Au2 Au6 Au5 65.66(4) . 2_665 ?
S9 Au6 Au1 85.6(2) . . ?
Au1 Au6 Au1 96.08(5) 2_665 . ?
Au2 Au6 Au1 66.76(4) 2_665 . ?
Au8 Au6 Au1 126.17(5) 2_665 . ?
Au2 Au6 Au1 53.03(4) . . ?
Au5 Au6 Au1 118.40(5) 2_665 . ?
S9 Au7 S2 175.0(3) . . ?
S9 Au7 Au2 97.63(19) . . ?
S2 Au7 Au2 87.23(18) . . ?
S9 Au7 Au9 78.2(2) . . ?
S2 Au7 Au9 100.3(2) . . ?
Au2 Au7 Au9 118.69(5) . . ?
S9 Au7 Au1 84.59(19) . . ?
S2 Au7 Au1 99.20(17) . . ?
Au2 Au7 Au1 52.12(3) . . ?
Au9 Au7 Au1 66.67(4) . . ?
S9 Au7 Au3 136.4(2) . . ?
S2 Au7 Au3 44.37(18) . . ?
Au2 Au7 Au3 87.16(4) . . ?
Au9 Au7 Au3 62.02(4) . . ?
Au1 Au7 Au3 64.50(4) . . ?
S3 Au8 Au1 170.0(2) . . ?
S3 Au8 Au2 128.0(2) . . ?
Au1 Au8 Au2 60.77(4) . . ?
S3 Au8 Au6 127.1(2) . 2_665 ?
Au1 Au8 Au6 59.88(4) . 2_665 ?
Au2 Au8 Au6 60.14(4) . 2_665 ?
S3 Au8 Au4 101.2(2) . . ?
Au1 Au8 Au4 69.83(4) . . ?
Au2 Au8 Au4 130.60(5) . . ?
Au6 Au8 Au4 95.46(5) 2_665 . ?
S3 Au8 Au3 100.7(2) . . ?
Au1 Au8 Au3 72.38(4) . . ?
Au2 Au8 Au3 94.73(4) . . ?
Au6 Au8 Au3 132.13(5) 2_665 . ?
Au4 Au8 Au3 69.64(4) . . ?
S6 Au9 S4 170.9(3) . . ?
S6 Au9 Au7 92.9(2) . . ?
S4 Au9 Au7 92.16(19) . . ?
S6 Au9 Au3 90.3(2) . . ?
S4 Au9 Au3 98.72(18) . . ?
Au7 Au9 Au3 62.01(4) . . ?
S7 Au10 S1 177.1(3) . . ?
S7 Au10 Au3 89.8(2) . . ?
S1 Au10 Au3 93.1(2) . . ?
S7 Au10 Au11 139.0(2) . . ?
S1 Au10 Au11 43.4(2) . . ?
Au3 Au10 Au11 59.46(4) . . ?
S6 Au11 S1 175.5(3) . . ?
S6 Au11 Au3 91.1(2) . . ?
S1 Au11 Au3 93.3(2) . . ?
S6 Au11 Au10 139.7(2) . . ?
S1 Au11 Au10 43.2(2) . . ?
Au3 Au11 Au10 59.87(4) . . ?
S3 Au12 S7 172.5(3) . . ?
S3 Au12 Au3 96.1(2) . . ?
S7 Au12 Au3 87.6(2) . . ?
C8 S1 Au10 106.0(14) . . ?
C8 S1 Au11 105.9(14) . . ?
Au10 S1 Au11 93.3(4) . . ?
C9 S2 Au7 106.0(11) . . ?
C9 S2 Au3 108.2(12) . . ?
Au7 S2 Au3 91.7(3) . . ?
C3 S3 Au12 101.0(11) . . ?
C3 S3 Au8 99.8(11) . . ?
Au12 S3 Au8 96.6(3) . . ?
C1 S4 Au9 104.3(10) . . ?
C1 S4 Au1 107.1(11) . . ?
Au9 S4 Au1 97.2(3) . . ?
C4 S5 Au4 103.5(9) . . ?
C4 S5 Au3 102.9(9) . . ?
Au4 S5 Au3 98.9(3) . . ?
C6 S6 Au11 105.6(13) . . ?
C6 S6 Au9 104.7(12) . . ?
Au11 S6 Au9 98.8(3) . . ?
C7 S7 Au10 103.1(12) . . ?
C7 S7 Au12 109.0(10) . . ?
Au10 S7 Au12 101.8(4) . . ?
C2 S8 Au4 101.6(11) . . ?
C2 S8 Au5 105.3(13) . . ?
Au4 S8 Au5 92.1(3) . . ?
C10 S9 Au7 108.3(14) . . ?
C10 S9 Au6 108.8(12) . . ?
Au7 S9 Au6 95.0(3) . . ?
C5 S10 Au5 105.3(13) . 2_665 ?
C5 S10 Au2 108.1(12) . . ?
Au5 S10 Au2 88.3(3) 2_665 . ?
C24 C1 S4 102.5(19) . . ?
C24 C1 H1A 111.3 . . ?
S4 C1 H1A 111.3 . . ?
C24 C1 H1B 111.3 . . ?
S4 C1 H1B 111.3 . . ?
H1A C1 H1B 109.2 . . ?
C30 C2 S8 121(2) . . ?
C30 C2 H2A 107.2 . . ?
S8 C2 H2A 107.2 . . ?
C30 C2 H2B 107.2 . . ?
S8 C2 H2B 107.2 . . ?
H2A C2 H2B 106.8 . . ?
C54 C3 S3 111(2) . . ?
C54 C3 H3A 109.5 . . ?
S3 C3 H3A 109.5 . . ?
C54 C3 H3B 109.5 . . ?
S3 C3 H3B 109.5 . . ?
H3A C3 H3B 108.0 . . ?
C60 C4 S5 111.5(19) . . ?
C60 C4 H4A 109.3 . . ?
S5 C4 H4A 109.3 . . ?
C60 C4 H4B 109.3 . . ?
S5 C4 H4B 109.3 . . ?
H4A C4 H4B 108.0 . . ?
C48 C5 S10 110(2) . . ?
C48 C5 H5A 109.8 . . ?
S10 C5 H5A 109.8 . . ?
C48 C5 H5B 109.8 . . ?
S10 C5 H5B 109.8 . . ?
H5A C5 H5B 108.2 . . ?
C66 C6 S6 111(3) . . ?
C66 C6 H6A 109.5 . . ?
S6 C6 H6A 109.5 . . ?
C66 C6 H6B 109.5 . . ?
S6 C6 H6B 109.5 . . ?
H6A C6 H6B 108.1 . . ?
C36 C7 S7 105(2) . . ?
C36 C7 H7A 110.7 . . ?
S7 C7 H7A 110.7 . . ?
C36 C7 H7B 110.7 . . ?
S7 C7 H7B 110.7 . . ?
H7A C7 H7B 108.8 . . ?
C42 C8 S1 113(3) . . ?
C42 C8 H8A 109.1 . . ?
S1 C8 H8A 109.1 . . ?
C42 C8 H8B 109.1 . . ?
S1 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
C12 C9 S2 110(2) . . ?
C12 C9 H9A 109.6 . . ?
S2 C9 H9A 109.6 . . ?
C12 C9 H9B 109.6 . . ?
S2 C9 H9B 109.6 . . ?
H9A C9 H9B 108.1 . . ?
C18 C10 S9 112(3) . . ?
C18 C10 H10A 109.2 . . ?
S9 C10 H10A 109.2 . . ?
C18 C10 H10B 109.2 . . ?
S9 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C13 C12 C17 120.2(16) . . ?
C13 C12 C9 118(3) . . ?
C17 C12 C9 122(3) . . ?
C12 C13 C14 120.3(16) . . ?
C12 C13 H13D 119.9 . . ?
C14 C13 H13D 119.9 . . ?
C15 C14 C13 119.2(16) . . ?
C15 C14 H14A 120.4 . . ?
C13 C14 H14A 120.4 . . ?
C16 C15 C14 120.6(16) . . ?
C16 C15 C131 118(4) . . ?
C14 C15 C131 121(4) . . ?
C15 C16 C17 120.2(16) . . ?
C15 C16 H16A 119.9 . . ?
C17 C16 H16A 119.9 . . ?
C16 C17 C12 119.3(16) . . ?
C16 C17 H17A 120.3 . . ?
C12 C17 H17A 120.3 . . ?
C19 C18 C23 119.5(16) . . ?
C19 C18 C10 117(3) . . ?
C23 C18 C10 124(3) . . ?
C20 C19 C18 120.2(16) . . ?
C20 C19 H19A 119.9 . . ?
C18 C19 H19A 119.9 . . ?
C21 C20 C19 120.1(16) . . ?
C21 C20 H20A 119.9 . . ?
C19 C20 H20A 119.9 . . ?
C20 C21 C22 119.9(16) . . ?
C20 C21 C115 117(4) . . ?
C22 C21 C115 123(4) . . ?
C23 C22 C21 119.9(17) . . ?
C23 C22 H22A 120.0 . . ?
C21 C22 H22A 120.0 . . ?
C22 C23 C18 120.0(16) . . ?
C22 C23 H23A 120.0 . . ?
C18 C23 H23A 120.0 . . ?
C35 C30 C31 119.8(16) . . ?
C35 C30 C2 122(3) . . ?
C31 C30 C2 118(3) . . ?
C32 C31 C30 119.7(16) . . ?
C32 C31 H31A 120.1 . . ?
C30 C31 H31A 120.1 . . ?
C31 C32 C33 120.5(16) . . ?
C31 C32 H32A 119.7 . . ?
C33 C32 H32A 119.7 . . ?
C32 C33 C34 120.0(16) . . ?
C32 C33 C76 118(3) . . ?
C34 C33 C76 122(3) . . ?
C33 C34 C35 119.3(16) . . ?
C33 C34 H34A 120.4 . . ?
C35 C34 H34A 120.4 . . ?
C30 C35 C34 120.5(15) . . ?
C30 C35 H35A 119.8 . . ?
C34 C35 H35A 119.8 . . ?
C49 C48 C53 119.1(15) . . ?
C49 C48 C5 118(3) . . ?
C53 C48 C5 123(3) . . ?
C48 C49 C50 120.1(16) . . ?
C48 C49 H49A 120.0 . . ?
C50 C49 H49A 120.0 . . ?
C51 C50 C49 120.8(16) . . ?
C51 C50 H50A 119.6 . . ?
C49 C50 H50A 119.6 . . ?
C50 C51 C52 118.8(16) . . ?
C50 C51 C107 125(4) . . ?
C52 C51 C107 116(4) . . ?
C53 C52 C51 120.1(16) . . ?
C53 C52 H52A 120.0 . . ?
C51 C52 H52A 120.0 . . ?
C52 C53 C48 121.0(16) . . ?
C52 C53 H53A 119.5 . . ?
C48 C53 H53A 119.5 . . ?
C59 C54 C55 119.0(15) . . ?
C59 C54 C3 119(3) . . ?
C55 C54 C3 121(3) . . ?
C54 C55 C56 121.0(15) . . ?
C54 C55 H55A 119.5 . . ?
C56 C55 H55A 119.5 . . ?
C55 C56 C57 119.8(15) . . ?
C55 C56 H56A 120.1 . . ?
C57 C56 H56A 120.1 . . ?
C58 C57 C56 118.7(15) . . ?
C58 C57 C101 122(3) . . ?
C56 C57 C101 120(3) . . ?
C57 C58 C59 121.1(15) . . ?
C57 C58 H58A 119.4 . . ?
C59 C58 H58A 119.4 . . ?
C54 C59 C58 120.1(15) . . ?
C54 C59 H59A 120.0 . . ?
C58 C59 H59A 120.0 . . ?
C61 C60 C65 119.3(14) . . ?
C61 C60 C4 124(2) . . ?
C65 C60 C4 117(2) . . ?
C60 C61 C62 121.2(15) . . ?
C60 C61 H61A 119.4 . . ?
C62 C61 H61A 119.4 . . ?
C61 C62 C63 119.5(15) . . ?
C61 C62 H62A 120.3 . . ?
C63 C62 H62A 120.3 . . ?
C64 C63 C62 119.0(15) . . ?
C64 C63 C72 122(3) . . ?
C62 C63 C72 119(3) . . ?
C65 C64 C63 121.2(15) . . ?
C65 C64 H64A 119.4 . . ?
C63 C64 H64A 119.4 . . ?
C64 C65 C60 119.8(15) . . ?
C64 C65 H65A 120.1 . . ?
C60 C65 H65A 120.1 . . ?
C67 C66 C71 120.3(16) . . ?
C67 C66 C6 115(3) . . ?
C71 C66 C6 124(3) . . ?
C66 C67 C68 119.7(16) . . ?
C66 C67 H67A 120.1 . . ?
C68 C67 H67A 120.1 . . ?
C69 C68 C67 119.5(16) . . ?
C69 C68 H68A 120.2 . . ?
C67 C68 H68A 120.2 . . ?
C70 C69 C68 120.4(16) . . ?
C70 C69 C88 124(3) . . ?
C68 C69 C88 116(3) . . ?
C69 C70 C71 120.1(16) . . ?
C69 C70 H70A 120.0 . . ?
C71 C70 H70A 120.0 . . ?
C66 C71 C70 119.8(16) . . ?
C66 C71 H71A 120.1 . . ?
C70 C71 H71A 120.1 . . ?
C73 C72 C74 98(4) . . ?
C73 C72 C75 127(5) . . ?
C74 C72 C75 110(4) . . ?
C73 C72 C63 103(4) . . ?
C74 C72 C63 111(4) . . ?
C75 C72 C63 108(4) . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C72 C75 H75A 109.5 . . ?
C72 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C72 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C79 C76 C77 108(5) . . ?
C79 C76 C33 113(5) . . ?
C77 C76 C33 124(5) . . ?
C79 C76 C78 106(5) . . ?
C77 C76 C78 94(5) . . ?
C33 C76 C78 108(4) . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C76 C79 H79A 109.5 . . ?
C76 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C76 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C107 C83 H83A 109.5 . . ?
C107 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C107 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C107 C84 H84A 109.5 . . ?
C107 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C107 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C107 C85 H85A 109.5 . . ?
C107 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C107 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C88 C86 H86A 109.5 . . ?
C88 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C88 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C88 C87 H87A 109.5 . . ?
C88 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C88 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C87 C88 C104 107(4) . . ?
C87 C88 C86 106(4) . . ?
C104 C88 C86 105(4) . . ?
C87 C88 C69 109(5) . . ?
C104 C88 C69 112(6) . . ?
C86 C88 C69 118(7) . . ?
C101 C91 H91A 109.5 . . ?
C101 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C101 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
H10C C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
C88 C104 H10F 109.5 . . ?
C88 C104 H10G 109.5 . . ?
H10F C104 H10G 109.5 . . ?
C88 C104 H10H 109.5 . . ?
H10F C104 H10H 109.5 . . ?
H10G C104 H10H 109.5 . . ?
C91 C101 C102 102(6) . . ?
C91 C101 C103 96(6) . . ?
C102 C101 C103 107(6) . . ?
C91 C101 C57 116(6) . . ?
C102 C101 C57 117(5) . . ?
C103 C101 C57 117(5) . . ?
C101 C103 H10I 109.5 . . ?
C101 C103 H10J 109.5 . . ?
H10I C103 H10J 109.5 . . ?
C101 C103 H10K 109.5 . . ?
H10I C103 H10K 109.5 . . ?
H10J C103 H10K 109.5 . . ?
C85 C107 C84 130(7) . . ?
C85 C107 C83 102(6) . . ?
C84 C107 C83 96(6) . . ?
C85 C107 C51 105(6) . . ?
C84 C107 C51 117(6) . . ?
C83 C107 C51 102(5) . . ?
C118 C115 C117 116(3) . . ?
C118 C115 C116 116(3) . . ?
C117 C115 C116 117(3) . . ?
C118 C115 C21 114(7) . . ?
C117 C115 C21 94(7) . . ?
C116 C115 C21 94(7) . . ?
C115 C116 H11A 109.5 . . ?
C115 C116 H11B 109.5 . . ?
H11A C116 H11B 109.5 . . ?
C115 C116 H11C 109.4 . . ?
H11A C116 H11C 109.5 . . ?
H11B C116 H11C 109.5 . . ?
C115 C117 H11D 109.5 . . ?
C115 C117 H11E 109.5 . . ?
H11D C117 H11E 109.5 . . ?
C115 C117 H11F 109.4 . . ?
H11D C117 H11F 109.5 . . ?
H11E C117 H11F 109.5 . . ?
C115 C118 H11G 109.5 . . ?
C115 C118 H11H 109.5 . . ?
H11G C118 H11H 109.5 . . ?
C115 C118 H11I 109.4 . . ?
H11G C118 H11I 109.5 . . ?
H11H C118 H11I 109.5 . . ?
C134 C131 C132 115(3) . . ?
C134 C131 C133 115(3) . . ?
C132 C131 C133 115(3) . . ?
C134 C131 C15 104(5) . . ?
C132 C131 C15 99(5) . . ?
C133 C131 C15 105(7) . . ?
C131 C132 H13E 109.5 . . ?
C131 C132 H13F 109.4 . . ?
H13E C132 H13F 109.5 . . ?
C131 C132 H13G 109.5 . . ?
H13E C132 H13G 109.5 . . ?
H13F C132 H13G 109.5 . . ?
C131 C133 H13H 109.5 . . ?
C131 C133 H13I 109.4 . . ?
H13H C133 H13I 109.5 . . ?
C131 C133 H13J 109.5 . . ?
H13H C133 H13J 109.5 . . ?
H13I C133 H13J 109.5 . . ?
C131 C134 H13K 109.5 . . ?
C131 C134 H13L 109.4 . . ?
H13K C134 H13L 109.5 . . ?
C131 C134 H13M 109.5 . . ?
H13K C134 H13M 109.5 . . ?
H13L C134 H13M 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.974
_diffrn_reflns_theta_full        54.53
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         2.039
_refine_diff_density_min         -0.816
_refine_diff_density_rms         0.201
_database_code_depnum_ccdc_archive 'CCDC 1000102'
