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

#Metallophilicity-assisted assembly of phosphine-based 
#cage molecules
#Julia R. Shakirova, Elena V. Grachova, Antti J. 
#Karttunen, Vladislav V. Gurzhiy, Sergey P. Tunik,
#Igor O. Koshevoy


data_1

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C98 H90 Au6 N2 P6, 2(F6 P), 4(H2 O)'
_chemical_formula_sum            'C98 H98 Au6 F12 N2 O4 P8'
_chemical_formula_weight         3025.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/n'
_space_group_name_Hall           '-P 2yac'

_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+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'

_cell_length_a                   16.2957(9)
_cell_length_b                   18.2873(10)
_cell_length_c                   18.9512(10)
_cell_angle_alpha                90
_cell_angle_beta                 91.857(2)
_cell_angle_gamma                90
_cell_volume                     5644.6(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9629
_cell_measurement_theta_max      29.70
_cell_measurement_theta_min      2.42

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.780
_exptl_crystal_F_000             2868
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    7.946
_shelx_estimated_absorpt_T_min   0.192
_shelx_estimated_absorpt_T_max   0.535
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.192
_exptl_absorpt_correction_T_max  0.535
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_publ_section_exptl_refinement   
;
One of the phenyl rings was disordered over two positions (C38-C43 and
C138-C143) and refined with occupancies 0.66/0.34. The displacement
parameters of the carbon atoms of both components were constrained to
be equal. The ring C138-C143  was constrained with fixed C-C 
bond lengths and C-C-C angles (1.39 Å, 120 deg.). 
The displacement parameters of the atoms C38, C138-C143, O1 and O2 were 
restrained so that their Uij components approximate to isotropic 
behavior.
The unspecified and disorder solvent molecule was omitted from the final 
structure model. The contribution of the missing solvent to the 
calculated structure factors was taken into account by using a SQUEEZE 
routine of PLATON (Spek, 2003) but the missing solvent was not taken 
into account in the unit cell content.
The H₂O hydrogen atoms were located manually and constrained to ride 
on their parent atoms, with Uiso = 1.5 Ueq(parent atom).
All other hydrogen atoms were positioned geometrically and constrained 
to ride on their parent atoms, with C---H = 0.95-0.99 Å, Uiso = 
1.2-1.5 Ueq(parent atom).
The highest peak is located 0.95 Å from atom Au3 and the deepest hole
is located 0.76 Å from atom Au3.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 16 # 8 for binned mode 
_diffrn_reflns_number            41225
_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.674
_diffrn_reflns_theta_max         25.049
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measured_fraction_theta_full 0.950
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_Laue_measured_fraction_full 0.950
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_point_group_measured_fraction_full 0.950
_reflns_number_total             9723
_reflns_number_gt                7388
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Diamond v.3.2g (Brandenburg, 2011)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0608P)²+311.5215P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9723
_refine_ls_number_parameters     564
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.1060
_refine_ls_R_factor_gt           0.0789
_refine_ls_wR_factor_ref         0.1977
_refine_ls_wR_factor_gt          0.1808
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.7179(11) 0.3151(12) 0.1075(8) 0.038(5) Uani 1 1 d . . . . .
C2 C 0.6280(12) 0.3299(17) 0.1268(11) 0.068(8) Uani 1 1 d . . . . .
H2A H 0.6111 0.3781 0.1088 0.103 Uiso 1 1 calc R U . . .
H2B H 0.6236 0.3289 0.1782 0.103 Uiso 1 1 calc R U . . .
H2C H 0.5924 0.2922 0.1055 0.103 Uiso 1 1 calc R U . . .
C3 C 0.7710(13) 0.3765(15) 0.1375(10) 0.061(7) Uani 1 1 d . . . . .
H3A H 0.7517 0.4233 0.1181 0.091 Uiso 1 1 calc R U . . .
H3B H 0.8281 0.3685 0.1247 0.091 Uiso 1 1 calc R U . . .
H3C H 0.7675 0.3772 0.1890 0.091 Uiso 1 1 calc R U . . .
C4 C 0.7440(15) 0.2407(15) 0.1357(11) 0.066(7) Uani 1 1 d . . . . .
H4A H 0.7078 0.2029 0.1153 0.099 Uiso 1 1 calc R U . . .
H4B H 0.7405 0.2402 0.1872 0.099 Uiso 1 1 calc R U . . .
H4C H 0.8007 0.2308 0.1228 0.099 Uiso 1 1 calc R U . . .
C5 C 0.5692(9) 0.2732(10) -0.3272(8) 0.027(4) Uani 1 1 d . . . . .
C6 C 0.6230(11) 0.2173(12) -0.3171(9) 0.043(5) Uani 1 1 d . . . . .
H7 H 0.6550 0.2017 -0.3553 0.051 Uiso 1 1 calc R U . . .
C7 C 0.6326(11) 0.1820(11) -0.2524(9) 0.040(5) Uani 1 1 d . . . . .
H36 H 0.6697 0.1422 -0.2468 0.048 Uiso 1 1 calc R U . . .
C8 C 0.5876(9) 0.2055(10) -0.1965(8) 0.027(4) Uani 1 1 d . . . . .
C9 C 0.5363(11) 0.2632(10) -0.2059(9) 0.036(4) Uani 1 1 d . . . . .
H37 H 0.5063 0.2801 -0.1670 0.043 Uiso 1 1 calc R U . . .
C10 C 0.5261(11) 0.2983(11) -0.2702(9) 0.037(4) Uani 1 1 d . . . . .
H6 H 0.4902 0.3390 -0.2752 0.045 Uiso 1 1 calc R U . . .
C11 C 1.0301(11) 0.2554(12) -0.0469(10) 0.041(5) Uani 1 1 d . . . . .
C12 C 1.0302(17) 0.2443(17) 0.0263(13) 0.077(9) Uani 1 1 d . . . . .
H9 H 0.9870 0.2628 0.0536 0.093 Uiso 1 1 calc R U . . .
C13 C 1.0957(16) 0.2051(19) 0.0582(14) 0.094(11) Uani 1 1 d . . . . .
H10 H 1.0995 0.1997 0.1081 0.113 Uiso 1 1 calc R U . . .
C14 C 1.1565(15) 0.1736(18) 0.0149(14) 0.086(10) Uani 1 1 d . . . . .
H11 H 1.1983 0.1433 0.0352 0.103 Uiso 1 1 calc R U . . .
C15 C 1.1541(12) 0.1874(12) -0.0576(12) 0.052(6) Uani 1 1 d . . . . .
H12 H 1.1956 0.1685 -0.0866 0.063 Uiso 1 1 calc R U . . .
C16 C 1.0908(11) 0.2289(12) -0.0867(11) 0.042(5) Uani 1 1 d . . . . .
H13 H 1.0899 0.2391 -0.1359 0.051 Uiso 1 1 calc R U . . .
C17 C 0.9818(10) 0.4022(10) -0.0924(8) 0.030(4) Uani 1 1 d . . . . .
C18 C 1.0604(11) 0.4238(11) -0.0713(9) 0.036(4) Uani 1 1 d . . . . .
H15 H 1.1003 0.3882 -0.0576 0.043 Uiso 1 1 calc R U . . .
C19 C 1.0803(12) 0.4964(12) -0.0703(9) 0.042(5) Uani 1 1 d . . . . .
H16 H 1.1340 0.5114 -0.0556 0.051 Uiso 1 1 calc R U . . .
C20 C 1.0208(13) 0.5496(10) -0.0911(10) 0.042(5) Uani 1 1 d . . . . .
H17 H 1.0338 0.6002 -0.0889 0.050 Uiso 1 1 calc R U . . .
C21 C 0.9436(11) 0.5267(11) -0.1148(10) 0.038(4) Uani 1 1 d . . . . .
H18 H 0.9045 0.5619 -0.1312 0.045 Uiso 1 1 calc R U . . .
C22 C 0.9231(10) 0.4546(10) -0.1147(9) 0.034(4) Uani 1 1 d . . . . .
H19 H 0.8694 0.4396 -0.1297 0.041 Uiso 1 1 calc R U . . .
C23 C 0.7025(10) 0.4901(10) -0.1898(9) 0.028(4) Uani 1 1 d . . . . .
C24 C 0.7268(10) 0.4243(11) -0.2199(8) 0.035(4) Uani 1 1 d . . . . .
H21 H 0.7115 0.3793 -0.1991 0.041 Uiso 1 1 calc R U . . .
C25 C 0.7281(11) 0.5554(10) -0.2197(10) 0.036(4) Uani 1 1 d . . . . .
H22 H 0.7150 0.6005 -0.1979 0.043 Uiso 1 1 calc R U . . .
C26 C 0.6487(11) 0.5805(12) -0.0726(9) 0.041(5) Uani 1 1 d . . . . .
C27 C 0.7222(13) 0.5982(14) -0.0413(13) 0.061(6) Uani 1 1 d . . . . .
H24 H 0.7681 0.5663 -0.0429 0.073 Uiso 1 1 calc R U . . .
C28 C 0.7270(14) 0.6639(14) -0.0075(16) 0.074(8) Uani 1 1 d . . . . .
H25 H 0.7769 0.6760 0.0171 0.089 Uiso 1 1 calc R U . . .
C29 C 0.6627(11) 0.7144(12) -0.0070(12) 0.048(5) Uani 1 1 d . . . . .
H26 H 0.6681 0.7605 0.0158 0.057 Uiso 1 1 calc R U . . .
C30 C 0.5926(12) 0.6935(11) -0.0407(11) 0.045(5) Uani 1 1 d . . . . .
H27 H 0.5472 0.7261 -0.0410 0.054 Uiso 1 1 calc R U . . .
C31 C 0.5835(11) 0.6276(12) -0.0748(10) 0.044(5) Uani 1 1 d . . . . .
H28 H 0.5335 0.6151 -0.0990 0.053 Uiso 1 1 calc R U . . .
C32 C 0.5357(10) 0.4760(11) -0.1445(9) 0.037(4) Uani 1 1 d . . . . .
C33 C 0.5087(11) 0.5064(12) -0.2056(9) 0.041(5) Uani 1 1 d . . . . .
H30 H 0.5442 0.5353 -0.2329 0.049 Uiso 1 1 calc R U . . .
C34 C 0.4260(13) 0.4942(15) -0.2285(11) 0.061(7) Uani 1 1 d . . . . .
H31 H 0.4058 0.5151 -0.2715 0.073 Uiso 1 1 calc R U . . .
C35 C 0.3767(13) 0.4538(13) -0.1900(12) 0.054(6) Uani 1 1 d . . . . .
H32 H 0.3215 0.4466 -0.2061 0.065 Uiso 1 1 calc R U . . .
C36 C 0.4026(13) 0.4226(14) -0.1289(15) 0.065(7) Uani 1 1 d . . . . .
H33 H 0.3670 0.3931 -0.1022 0.078 Uiso 1 1 calc R U . . .
C37 C 0.4828(12) 0.4350(13) -0.1064(11) 0.049(5) Uani 1 1 d . . . . .
H34 H 0.5019 0.4143 -0.0629 0.059 Uiso 1 1 calc R U . . .
C44 C 0.4996(12) 0.1294(10) -0.0874(9) 0.038(4) Uani 1 1 d . . . . .
C45 C 0.4886(16) 0.1071(14) -0.0171(13) 0.067(7) Uani 1 1 d . . . . .
H45 H 0.5315 0.1119 0.0177 0.081 Uiso 1 1 calc R U . . .
C46 C 0.4143(18) 0.0784(18) -0.0005(18) 0.099(12) Uani 1 1 d . . . . .
H46 H 0.4062 0.0641 0.0469 0.118 Uiso 1 1 calc R U . . .
C47 C 0.3526(17) 0.0696(15) -0.048(2) 0.090(11) Uani 1 1 d . . . . .
H47 H 0.3027 0.0479 -0.0338 0.107 Uiso 1 1 calc R U . . .
C48 C 0.3612(16) 0.0920(16) -0.1173(19) 0.087(10) Uani 1 1 d . . . . .
H48 H 0.3166 0.0875 -0.1505 0.105 Uiso 1 1 calc R U . . .
C49 C 0.4346(13) 0.1206(12) -0.1374(13) 0.055(6) Uani 1 1 d . . . . .
H49 H 0.4415 0.1346 -0.1852 0.066 Uiso 1 1 calc R U . . .
N1 N 0.7217(8) 0.3174(8) 0.0294(7) 0.029(3) Uani 1 1 d . . . . .
F1 F 0.3108(8) 0.1888(7) 0.7241(7) 0.063(4) Uani 1 1 d . . . . .
F2 F 0.2945(8) 0.2522(7) 0.8263(7) 0.063(3) Uani 1 1 d . . . . .
F3 F 0.1884(8) 0.3127(8) 0.7761(7) 0.070(4) Uani 1 1 d . . . . .
F4 F 1.1873(12) 0.1746(10) 0.2196(9) 0.105(6) Uani 1 1 d . . . . .
F5 F 1.2003(18) 0.2353(18) 0.3190(14) 0.189(13) Uani 1 1 d . . . . .
F6 F 1.1887(17) 0.2925(11) 0.2181(19) 0.207(17) Uani 1 1 d . . . . .
P1 P 0.9458(3) 0.3092(3) -0.0836(2) 0.0281(10) Uani 1 1 d . . . . .
P2 P 0.6414(3) 0.4884(3) -0.1108(2) 0.0304(10) Uani 1 1 d . . . . .
P3 P 0.5996(3) 0.1637(3) -0.1088(2) 0.0310(10) Uani 1 1 d . . . . .
P4 P 0.2500 0.2521(4) 0.7500 0.0405(17) Uani 1 2 d S T P . .
P5 P 1.2500 0.2341(6) 0.2500 0.094(4) Uani 1 2 d S T P . .
Au1 Au 0.83156(4) 0.30841(4) -0.02081(3) 0.0323(2) Uani 1 1 d . . . . .
Au2 Au 0.68249(4) 0.40273(4) -0.03373(3) 0.0343(2) Uani 1 1 d . . . . .
Au3 Au 0.65855(4) 0.24213(4) -0.03202(3) 0.0359(2) Uani 1 1 d . . . . .
C38 C 0.6671(19) 0.0886(18) -0.1184(17) 0.042(3) Uani 0.66(2) 1 d . U P A 1
C39 C 0.645(2) 0.0319(17) -0.1588(16) 0.042(3) Uani 0.66(2) 1 d . . P A 1
H39 H 0.5915 0.0310 -0.1809 0.050 Uiso 0.66(2) 1 calc R U P A 1
C40 C 0.6995(19) -0.0269(17) -0.1689(15) 0.042(3) Uani 0.66(2) 1 d . . P A 1
H40 H 0.6828 -0.0673 -0.1975 0.050 Uiso 0.66(2) 1 calc R U P A 1
C41 C 0.7729(19) -0.0260(18) -0.1391(16) 0.042(3) Uani 0.66(2) 1 d . . P A 1
H41 H 0.8094 -0.0651 -0.1484 0.050 Uiso 0.66(2) 1 calc R U P A 1
C42 C 0.7998(19) 0.0294(17) -0.0946(15) 0.042(3) Uani 0.66(2) 1 d . . P A 1
H42 H 0.8523 0.0284 -0.0714 0.050 Uiso 0.66(2) 1 calc R U P A 1
C43 C 0.7441(19) 0.0879(18) -0.0857(16) 0.042(3) Uani 0.66(2) 1 d . . P A 1
H43 H 0.7602 0.1279 -0.0564 0.050 Uiso 0.66(2) 1 calc R U P A 1
C138 C 0.651(2) 0.0711(19) -0.126(2) 0.042(3) Uani 0.34(2) 1 d G U P A 2
C139 C 0.6122(19) 0.017(2) -0.167(2) 0.042(3) Uani 0.34(2) 1 d G U P A 2
H139 H 0.5573 0.0236 -0.1841 0.050 Uiso 0.34(2) 1 calc R U P A 2
C140 C 0.654(2) -0.047(2) -0.1822(19) 0.042(3) Uani 0.34(2) 1 d G U P A 2
H140 H 0.6278 -0.0841 -0.2100 0.050 Uiso 0.34(2) 1 calc R U P A 2
C141 C 0.734(2) -0.0569(19) -0.157(2) 0.042(3) Uani 0.34(2) 1 d G U P A 2
H141 H 0.7630 -0.1006 -0.1675 0.050 Uiso 0.34(2) 1 calc R U P A 2
C142 C 0.7728(19) -0.003(2) -0.116(2) 0.042(3) Uani 0.34(2) 1 d G U P A 2
H142 H 0.8277 -0.0094 -0.0992 0.050 Uiso 0.34(2) 1 calc R U P A 2
C143 C 0.731(2) 0.061(2) -0.101(2) 0.042(3) Uani 0.34(2) 1 d G U P A 2
H143 H 0.7571 0.0983 -0.0734 0.050 Uiso 0.34(2) 1 calc R U P A 2
O1 O 0.5492(8) 0.0949(7) 0.1787(6) 0.043(3) Uani 1 1 d . U . . .
H1OQ H 0.5472 0.1382 0.1971 0.065 Uiso 1 1 d R U . . .
H1OW H 0.5943 0.0865 0.1561 0.065 Uiso 1 1 d R U . . .
O2 O 0.9835(8) 0.2969(8) 0.2078(6) 0.048(3) Uani 1 1 d . U . . .
H2OQ H 0.9525 0.2591 0.2153 0.072 Uiso 1 1 d R U . . .
H2OW H 1.0336 0.2901 0.2204 0.072 Uiso 1 1 d R U . . .


_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
C1 N1 1.485(19) . ?
C1 C3 1.52(3) . ?
C1 C4 1.52(3) . ?
C1 C2 1.54(3) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.36(3) . ?
C5 C10 1.39(2) . ?
C5 P1 1.822(16) 2_654 ?
C6 C7 1.39(2) . ?
C6 H7 0.9500 . ?
C7 C8 1.38(2) . ?
C7 H36 0.9500 . ?
C8 C9 1.35(2) . ?
C8 P3 1.834(15) . ?
C9 C10 1.38(2) . ?
C9 H37 0.9500 . ?
C10 H6 0.9500 . ?
C11 C16 1.35(3) . ?
C11 C12 1.40(3) . ?
C11 P1 1.811(19) . ?
C12 C13 1.41(3) . ?
C12 H9 0.9500 . ?
C13 C14 1.43(4) . ?
C13 H10 0.9500 . ?
C14 C15 1.40(3) . ?
C14 H11 0.9500 . ?
C15 C16 1.38(3) . ?
C15 H12 0.9500 . ?
C16 H13 0.9500 . ?
C17 C18 1.39(2) . ?
C17 C22 1.41(3) . ?
C17 P1 1.808(19) . ?
C18 C19 1.37(3) . ?
C18 H15 0.9500 . ?
C19 C20 1.42(3) . ?
C19 H16 0.9500 . ?
C20 C21 1.39(3) . ?
C20 H17 0.9500 . ?
C21 C22 1.36(3) . ?
C21 H18 0.9500 . ?
C22 H19 0.9500 . ?
C23 C25 1.39(2) . ?
C23 C24 1.39(3) . ?
C23 P2 1.826(17) . ?
C24 C24 1.39(3) 2_654 ?
C24 H21 0.9500 . ?
C25 C25 1.37(3) 2_654 ?
C25 H22 0.9500 . ?
C26 C27 1.36(3) . ?
C26 C31 1.37(3) . ?
C26 P2 1.84(2) . ?
C27 C28 1.36(3) . ?
C27 H24 0.9500 . ?
C28 C29 1.40(3) . ?
C28 H25 0.9500 . ?
C29 C30 1.35(3) . ?
C29 H26 0.9500 . ?
C30 C31 1.37(3) . ?
C30 H27 0.9500 . ?
C31 H28 0.9500 . ?
C32 C33 1.35(3) . ?
C32 C37 1.37(3) . ?
C32 P2 1.832(17) . ?
C33 C34 1.42(3) . ?
C33 H30 0.9500 . ?
C34 C35 1.33(3) . ?
C34 H31 0.9500 . ?
C35 C36 1.35(3) . ?
C35 H32 0.9500 . ?
C36 C37 1.38(3) . ?
C36 H33 0.9500 . ?
C37 H34 0.9500 . ?
C44 C49 1.41(3) . ?
C44 C45 1.41(3) . ?
C44 P3 1.80(2) . ?
C45 C46 1.36(4) . ?
C45 H45 0.9500 . ?
C46 C47 1.33(4) . ?
C46 H46 0.9500 . ?
C47 C48 1.39(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.37(3) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
N1 Au2 2.055(14) . ?
N1 Au3 2.057(13) . ?
N1 Au1 2.060(14) . ?
F1 P4 1.610(13) . ?
F2 P4 1.596(12) . ?
F3 P4 1.585(13) . ?
F4 P5 1.587(19) . ?
F5 P5 1.56(2) . ?
F6 P5 1.57(2) . ?
P1 C5 1.822(16) 2_654 ?
P1 Au1 2.242(4) . ?
P2 Au2 2.229(5) . ?
P3 C38 1.77(3) . ?
P3 C138 1.92(3) . ?
P3 Au3 2.238(5) . ?
P4 F3 1.585(13) 2_556 ?
P4 F2 1.596(12) 2_556 ?
P4 F1 1.610(13) 2_556 ?
P5 F5 1.56(2) 2_755 ?
P5 F6 1.57(2) 2_755 ?
P5 F4 1.587(19) 2_755 ?
Au1 Au2 2.9830(10) . ?
Au1 Au3 3.0698(10) . ?
Au2 Au3 2.9631(12) . ?
C38 C39 1.33(4) . ?
C38 C43 1.38(4) . ?
C39 C40 1.42(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.31(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.38(4) . ?
C41 H41 0.9500 . ?
C42 C43 1.42(4) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C138 C139 1.3900 . ?
C138 C143 1.3900 . ?
C139 C140 1.3900 . ?
C139 H139 0.9500 . ?
C140 C141 1.3900 . ?
C140 H140 0.9500 . ?
C141 C142 1.3900 . ?
C141 H141 0.9500 . ?
C142 C143 1.3900 . ?
C142 H142 0.9500 . ?
C143 H143 0.9500 . ?
O1 H1OQ 0.8668 . ?
O1 H1OW 0.8765 . ?
O2 H2OQ 0.8700 . ?
O2 H2OW 0.8518 . ?

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
N1 C1 C3 108.1(14) . . ?
N1 C1 C4 110.9(16) . . ?
C3 C1 C4 112.4(17) . . ?
N1 C1 C2 107.6(14) . . ?
C3 C1 C2 108.4(18) . . ?
C4 C1 C2 109.4(18) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C10 118.7(15) . . ?
C6 C5 P1 118.1(12) . 2_654 ?
C10 C5 P1 123.2(14) . 2_654 ?
C5 C6 C7 121.9(16) . . ?
C5 C6 H7 119.0 . . ?
C7 C6 H7 119.0 . . ?
C8 C7 C6 119.2(17) . . ?
C8 C7 H36 120.4 . . ?
C6 C7 H36 120.4 . . ?
C9 C8 C7 118.8(15) . . ?
C9 C8 P3 119.5(12) . . ?
C7 C8 P3 121.6(14) . . ?
C8 C9 C10 122.3(16) . . ?
C8 C9 H37 118.8 . . ?
C10 C9 H37 118.8 . . ?
C9 C10 C5 119.0(17) . . ?
C9 C10 H6 120.5 . . ?
C5 C10 H6 120.5 . . ?
C16 C11 C12 122(2) . . ?
C16 C11 P1 122.6(15) . . ?
C12 C11 P1 115.8(16) . . ?
C11 C12 C13 118(2) . . ?
C11 C12 H9 120.8 . . ?
C13 C12 H9 120.8 . . ?
C12 C13 C14 119(2) . . ?
C12 C13 H10 120.4 . . ?
C14 C13 H10 120.4 . . ?
C15 C14 C13 120(2) . . ?
C15 C14 H11 120.2 . . ?
C13 C14 H11 120.2 . . ?
C16 C15 C14 119(2) . . ?
C16 C15 H12 120.4 . . ?
C14 C15 H12 120.4 . . ?
C11 C16 C15 121.6(19) . . ?
C11 C16 H13 119.2 . . ?
C15 C16 H13 119.2 . . ?
C18 C17 C22 120.3(17) . . ?
C18 C17 P1 122.7(15) . . ?
C22 C17 P1 116.6(13) . . ?
C19 C18 C17 119.8(18) . . ?
C19 C18 H15 120.1 . . ?
C17 C18 H15 120.1 . . ?
C18 C19 C20 120.1(17) . . ?
C18 C19 H16 119.9 . . ?
C20 C19 H16 119.9 . . ?
C21 C20 C19 119.2(17) . . ?
C21 C20 H17 120.4 . . ?
C19 C20 H17 120.4 . . ?
C22 C21 C20 120.8(18) . . ?
C22 C21 H18 119.6 . . ?
C20 C21 H18 119.6 . . ?
C21 C22 C17 119.7(16) . . ?
C21 C22 H19 120.2 . . ?
C17 C22 H19 120.2 . . ?
C25 C23 C24 118.8(15) . . ?
C25 C23 P2 121.8(13) . . ?
C24 C23 P2 119.3(13) . . ?
C24 C24 C23 120.3(10) 2_654 . ?
C24 C24 H21 119.8 2_654 . ?
C23 C24 H21 119.8 . . ?
C25 C25 C23 120.7(10) 2_654 . ?
C25 C25 H22 119.6 2_654 . ?
C23 C25 H22 119.6 . . ?
C27 C26 C31 122(2) . . ?
C27 C26 P2 115.8(16) . . ?
C31 C26 P2 121.7(14) . . ?
C26 C27 C28 117(2) . . ?
C26 C27 H24 121.6 . . ?
C28 C27 H24 121.6 . . ?
C27 C28 C29 124(2) . . ?
C27 C28 H25 118.2 . . ?
C29 C28 H25 118.2 . . ?
C30 C29 C28 116(2) . . ?
C30 C29 H26 122.1 . . ?
C28 C29 H26 122.1 . . ?
C29 C30 C31 123.3(19) . . ?
C29 C30 H27 118.3 . . ?
C31 C30 H27 118.3 . . ?
C26 C31 C30 117.8(18) . . ?
C26 C31 H28 121.1 . . ?
C30 C31 H28 121.1 . . ?
C33 C32 C37 119.1(17) . . ?
C33 C32 P2 121.8(14) . . ?
C37 C32 P2 119.1(15) . . ?
C32 C33 C34 119(2) . . ?
C32 C33 H30 120.7 . . ?
C34 C33 H30 120.7 . . ?
C35 C34 C33 120(2) . . ?
C35 C34 H31 119.8 . . ?
C33 C34 H31 119.8 . . ?
C34 C35 C36 122(2) . . ?
C34 C35 H32 119.0 . . ?
C36 C35 H32 119.0 . . ?
C35 C36 C37 118(2) . . ?
C35 C36 H33 121.2 . . ?
C37 C36 H33 121.2 . . ?
C32 C37 C36 122(2) . . ?
C32 C37 H34 118.8 . . ?
C36 C37 H34 118.8 . . ?
C49 C44 C45 119(2) . . ?
C49 C44 P3 123.6(15) . . ?
C45 C44 P3 117.1(17) . . ?
C46 C45 C44 118(3) . . ?
C46 C45 H45 121.0 . . ?
C44 C45 H45 121.0 . . ?
C47 C46 C45 123(3) . . ?
C47 C46 H46 118.4 . . ?
C45 C46 H46 118.4 . . ?
C46 C47 C48 120(2) . . ?
C46 C47 H47 120.0 . . ?
C48 C47 H47 120.0 . . ?
C49 C48 C47 120(3) . . ?
C49 C48 H48 120.2 . . ?
C47 C48 H48 120.2 . . ?
C48 C49 C44 120(2) . . ?
C48 C49 H49 120.0 . . ?
C44 C49 H49 120.0 . . ?
C1 N1 Au2 125.4(12) . . ?
C1 N1 Au3 120.5(11) . . ?
Au2 N1 Au3 92.2(5) . . ?
C1 N1 Au1 121.6(10) . . ?
Au2 N1 Au1 92.9(5) . . ?
Au3 N1 Au1 96.4(6) . . ?
C17 P1 C11 107.6(9) . . ?
C17 P1 C5 106.8(8) . 2_654 ?
C11 P1 C5 103.8(8) . 2_654 ?
C17 P1 Au1 109.4(6) . . ?
C11 P1 Au1 115.1(6) . . ?
C5 P1 Au1 113.6(5) 2_654 . ?
C23 P2 C32 104.4(8) . . ?
C23 P2 C26 106.1(8) . . ?
C32 P2 C26 107.4(8) . . ?
C23 P2 Au2 112.9(6) . . ?
C32 P2 Au2 113.6(7) . . ?
C26 P2 Au2 111.9(6) . . ?
C38 P3 C44 108.8(12) . . ?
C38 P3 C8 106.1(12) . . ?
C44 P3 C8 106.1(8) . . ?
C44 P3 C138 97.6(15) . . ?
C8 P3 C138 104.2(15) . . ?
C38 P3 Au3 108.0(11) . . ?
C44 P3 Au3 116.7(6) . . ?
C8 P3 Au3 110.7(6) . . ?
C138 P3 Au3 119.9(12) . . ?
F3 P4 F3 91.2(12) 2_556 . ?
F3 P4 F2 90.5(7) 2_556 . ?
F3 P4 F2 89.5(7) . . ?
F3 P4 F2 89.5(7) 2_556 2_556 ?
F3 P4 F2 90.5(7) . 2_556 ?
F2 P4 F2 179.9(11) . 2_556 ?
F3 P4 F1 178.4(8) 2_556 2_556 ?
F3 P4 F1 90.4(7) . 2_556 ?
F2 P4 F1 89.5(7) . 2_556 ?
F2 P4 F1 90.6(7) 2_556 2_556 ?
F3 P4 F1 90.4(7) 2_556 . ?
F3 P4 F1 178.4(8) . . ?
F2 P4 F1 90.6(7) . . ?
F2 P4 F1 89.5(7) 2_556 . ?
F1 P4 F1 88.0(10) 2_556 . ?
F5 P5 F5 178(3) . 2_755 ?
F5 P5 F6 90.5(18) . 2_755 ?
F5 P5 F6 88(2) 2_755 2_755 ?
F5 P5 F6 88(2) . . ?
F5 P5 F6 90.5(18) 2_755 . ?
F6 P5 F6 94.3(16) 2_755 . ?
F5 P5 F4 92.9(15) . 2_755 ?
F5 P5 F4 88.2(13) 2_755 2_755 ?
F6 P5 F4 86.1(10) 2_755 2_755 ?
F6 P5 F4 178.6(16) . 2_755 ?
F5 P5 F4 88.2(13) . . ?
F5 P5 F4 92.9(15) 2_755 . ?
F6 P5 F4 178.6(16) 2_755 . ?
F6 P5 F4 86.1(10) . . ?
F4 P5 F4 93.5(15) 2_755 . ?
N1 Au1 P1 173.3(4) . . ?
N1 Au1 Au2 43.5(4) . . ?
P1 Au1 Au2 129.83(12) . . ?
N1 Au1 Au3 41.8(4) . . ?
P1 Au1 Au3 137.93(11) . . ?
Au2 Au1 Au3 58.60(2) . . ?
N1 Au2 P2 174.6(4) . . ?
N1 Au2 Au3 43.9(4) . . ?
P2 Au2 Au3 131.81(13) . . ?
N1 Au2 Au1 43.6(4) . . ?
P2 Au2 Au1 133.35(11) . . ?
Au3 Au2 Au1 62.16(3) . . ?
N1 Au3 P3 173.4(4) . . ?
N1 Au3 Au2 43.9(4) . . ?
P3 Au3 Au2 133.02(12) . . ?
N1 Au3 Au1 41.8(4) . . ?
P3 Au3 Au1 132.23(11) . . ?
Au2 Au3 Au1 59.23(2) . . ?
C39 C38 C43 119(3) . . ?
C39 C38 P3 120(2) . . ?
C43 C38 P3 121(2) . . ?
C38 C39 C40 120(3) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C41 C40 C39 120(3) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C40 C41 C42 123(3) . . ?
C40 C41 H41 118.6 . . ?
C42 C41 H41 118.6 . . ?
C41 C42 C43 116(3) . . ?
C41 C42 H42 122.1 . . ?
C43 C42 H42 122.1 . . ?
C38 C43 C42 122(3) . . ?
C38 C43 H43 119.0 . . ?
C42 C43 H43 119.0 . . ?
C139 C138 C143 120.0 . . ?
C139 C138 P3 122(2) . . ?
C143 C138 P3 118(2) . . ?
C138 C139 C140 120.0 . . ?
C138 C139 H139 120.0 . . ?
C140 C139 H139 120.0 . . ?
C141 C140 C139 120.0 . . ?
C141 C140 H140 120.0 . . ?
C139 C140 H140 120.0 . . ?
C142 C141 C140 120.0 . . ?
C142 C141 H141 120.0 . . ?
C140 C141 H141 120.0 . . ?
C143 C142 C141 120.0 . . ?
C143 C142 H142 120.0 . . ?
C141 C142 H142 120.0 . . ?
C142 C143 C138 120.0 . . ?
C142 C143 H143 120.0 . . ?
C138 C143 H143 120.0 . . ?
H1OQ O1 H1OW 113.6 . . ?
H2OQ O2 H2OW 113.2 . . ?

_refine_diff_density_max         6.502
_refine_diff_density_min         -3.138
_refine_diff_density_rms         0.311

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.003 0.000 0.003 754 173 ' '
2 0.024 0.229 0.333 7 2 ' '
3 0.476 0.229 0.167 7 2 ' '
4 0.524 0.771 0.833 7 2 ' '
5 0.976 0.771 0.667 7 2 ' '
_platon_squeeze_details          ?
_database_code_depnum_ccdc_archive 'CCDC 977750'

data_pppau3tbu_0m

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C260.47 H224.70 Au12 Cl8.95 F24 N4 P16'
_chemical_formula_weight         7043.03

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'
P P 0.1023 0.0942 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   30.2941(17)
_cell_length_b                   34.3378(19)
_cell_length_c                   26.6065(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.7320(10)
_cell_angle_gamma                90.00
_cell_volume                     27279(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    210(2)
_cell_measurement_reflns_used    9933
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      23.35

_exptl_crystal_description       prism
_exptl_crystal_colour            white
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             13486
_exptl_absorpt_coefficient_mu    6.673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2271
_exptl_absorpt_correction_T_max  0.3127
_exptl_absorpt_process_details   'SADABS; Bruker, 2007'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      210(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            108842
_diffrn_reflns_av_R_equivalents  0.0860
_diffrn_reflns_av_sigmaI/netI    0.1076
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         0.90
_diffrn_reflns_theta_max         25.00
_reflns_number_total             24020
_reflns_number_gt                13167
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1298P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         24020
_refine_ls_number_parameters     1051
_refine_ls_number_restraints     35
_refine_ls_R_factor_all          0.1276
_refine_ls_R_factor_gt           0.0677
_refine_ls_wR_factor_ref         0.2263
_refine_ls_wR_factor_gt          0.1993
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_restrained_S_all      0.987
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.045 0.095 0.621 7 1 ' '
2 0.045 0.905 0.121 7 1 ' '
3 0.239 0.485 0.791 91 16 ' '
4 0.239 0.515 0.291 91 16 ' '
5 0.261 0.015 0.209 91 16 ' '
6 0.261 0.985 0.709 91 16 ' '
7 0.455 0.405 0.379 7 1 ' '
8 0.455 0.595 0.879 7 1 ' '
9 0.545 0.405 0.121 7 1 ' '
10 0.545 0.595 0.621 7 1 ' '
11 0.739 0.015 0.291 91 16 ' '
12 0.739 0.985 0.791 91 16 ' '
13 0.761 0.485 0.709 91 16 ' '
14 0.761 0.515 0.209 91 16 ' '
15 0.955 0.095 0.879 7 1 ' '
16 0.955 0.905 0.379 7 1 ' '
_platon_squeeze_details          
;
The unit cell contains disordered hexafluorophosphate ions
and dichloromethane molecules which have been treated
as a diffuse contribution to the overall scattering
without specific atom positions by SQUEEZE/PLATON.
;

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
Au1 Au 0.36101(3) 0.62590(2) 0.43233(3) 0.0488(2) Uani 1 1 d . . .
Au2 Au 0.36974(2) 0.69613(2) 0.49664(3) 0.04335(19) Uani 1 1 d . . .
Au3 Au 0.29040(2) 0.693568(19) 0.40902(2) 0.04119(18) Uani 1 1 d . . .
Au4 Au 0.70366(2) 0.92715(2) 0.49662(3) 0.04334(19) Uani 1 1 d . . .
Au5 Au 0.68838(2) 0.99693(2) 0.42647(3) 0.0461(2) Uani 1 1 d . . .
Au6 Au 0.75424(2) 0.92972(2) 0.40781(3) 0.0522(2) Uani 1 1 d . . .
P1 P 0.58799(18) 0.59852(14) 0.10988(18) 0.0532(13) Uani 1 1 d . . .
P2 P 0.42929(16) 0.73428(14) 0.52102(17) 0.0455(11) Uani 1 1 d . . .
P3 P 0.26674(14) 0.73482(13) 0.34525(16) 0.0387(10) Uani 1 1 d . . .
P4 P 0.65622(15) 0.88542(13) 0.52386(16) 0.0389(10) Uani 1 1 d . . .
P5 P 0.62954(17) 1.02567(13) 0.37867(16) 0.0458(12) Uani 1 1 d . . .
P6 P 0.76479(17) 0.88546(15) 0.34975(18) 0.0523(12) Uani 1 1 d . . .
N1 N 0.3186(5) 0.6591(4) 0.4688(5) 0.044(3) Uani 1 1 d . . .
N2 N 0.7424(4) 0.9670(4) 0.4653(5) 0.045(4) Uani 1 1 d . . .
C1 C 0.4802(9) 0.6190(7) -0.0010(7) 0.181(5) Uani 1 1 d G . .
H1 H 0.4754 0.6284 -0.0342 0.218 Uiso 1 1 calc R . .
C2 C 0.4443(7) 0.6060(8) 0.0207(9) 0.181(5) Uani 1 1 d G . .
H2 H 0.4154 0.6067 0.0020 0.218 Uiso 1 1 calc R . .
C3 C 0.4514(7) 0.5919(8) 0.0704(9) 0.181(5) Uani 1 1 d G . .
H3 H 0.4273 0.5832 0.0850 0.218 Uiso 1 1 calc R . .
C4 C 0.4945(9) 0.5908(8) 0.0984(7) 0.181(5) Uani 1 1 d G . .
H4 H 0.4993 0.5814 0.1316 0.218 Uiso 1 1 calc R . .
C5 C 0.5305(7) 0.6038(8) 0.0767(9) 0.181(5) Uani 1 1 d G . .
C6 C 0.5233(7) 0.6179(8) 0.0270(10) 0.181(5) Uani 1 1 d G . .
H6 H 0.5474 0.6266 0.0124 0.218 Uiso 1 1 calc R . .
C7 C 0.5989(9) 0.5471(6) 0.1218(10) 0.181(5) Uani 1 1 d G . .
C8 C 0.6226(8) 0.5351(7) 0.1686(9) 0.181(5) Uani 1 1 d G . .
H8 H 0.6351 0.5535 0.1925 0.218 Uiso 1 1 calc R . .
C9 C 0.6278(8) 0.4957(8) 0.1796(7) 0.181(5) Uani 1 1 d G . .
H9 H 0.6436 0.4877 0.2109 0.218 Uiso 1 1 calc R . .
C10 C 0.6091(8) 0.4682(6) 0.1439(10) 0.181(5) Uani 1 1 d G . .
H10 H 0.6126 0.4417 0.1513 0.218 Uiso 1 1 calc R . .
C11 C 0.5854(8) 0.4801(7) 0.0971(9) 0.181(5) Uani 1 1 d G . .
H11 H 0.5730 0.4617 0.0732 0.218 Uiso 1 1 calc R . .
C12 C 0.5803(8) 0.5196(8) 0.0861(8) 0.181(5) Uani 1 1 d G . .
H12 H 0.5644 0.5276 0.0548 0.218 Uiso 1 1 calc R . .
C13 C 0.4192(8) 0.7843(6) 0.5233(8) 0.070(2) Uani 1 1 d . . .
C14 C 0.4506(8) 0.8143(6) 0.5215(8) 0.070(2) Uani 1 1 d . . .
H14 H 0.4801 0.8072 0.5205 0.084 Uiso 1 1 calc R . .
C15 C 0.4405(8) 0.8533(6) 0.5211(7) 0.070(2) Uani 1 1 d . . .
H15 H 0.4618 0.8718 0.5162 0.084 Uiso 1 1 calc R . .
C16 C 0.3974(8) 0.8649(6) 0.5281(7) 0.070(2) Uani 1 1 d . . .
H16 H 0.3908 0.8910 0.5326 0.084 Uiso 1 1 calc R . .
C17 C 0.3654(8) 0.8370(6) 0.5283(7) 0.070(2) Uani 1 1 d . . .
H17 H 0.3361 0.8444 0.5294 0.084 Uiso 1 1 calc R . .
C18 C 0.3759(8) 0.7968(6) 0.5266(7) 0.070(2) Uani 1 1 d . . .
H18 H 0.3535 0.7784 0.5278 0.084 Uiso 1 1 calc R . .
C19 C 0.4584(5) 0.7207(5) 0.5836(4) 0.092(4) Uani 1 1 d G . .
C20 C 0.4716(5) 0.7476(4) 0.6222(6) 0.092(4) Uani 1 1 d G . .
H20 H 0.4663 0.7740 0.6161 0.110 Uiso 1 1 calc R . .
C21 C 0.4929(5) 0.7351(5) 0.6699(5) 0.092(4) Uani 1 1 d G . .
H21 H 0.5017 0.7532 0.6957 0.110 Uiso 1 1 calc R . .
C22 C 0.5009(4) 0.6957(5) 0.6790(4) 0.092(4) Uani 1 1 d G . .
H22 H 0.5151 0.6874 0.7109 0.110 Uiso 1 1 calc R . .
C23 C 0.4877(5) 0.6687(4) 0.6404(6) 0.092(4) Uani 1 1 d G . .
H23 H 0.4931 0.6424 0.6465 0.110 Uiso 1 1 calc R . .
C24 C 0.4665(5) 0.6812(5) 0.5927(5) 0.092(4) Uani 1 1 d G . .
H24 H 0.4576 0.6632 0.5669 0.110 Uiso 1 1 calc R . .
C25 C 0.2546(5) 0.7141(4) 0.2823(4) 0.081(3) Uani 1 1 d G . .
C26 C 0.2801(4) 0.6824(4) 0.2720(5) 0.081(3) Uani 1 1 d G . .
H26 H 0.3017 0.6721 0.2976 0.097 Uiso 1 1 calc R . .
C27 C 0.2734(5) 0.6661(4) 0.2235(5) 0.081(3) Uani 1 1 d G . .
H27 H 0.2905 0.6448 0.2167 0.097 Uiso 1 1 calc R . .
C28 C 0.2411(5) 0.6814(4) 0.1853(4) 0.081(3) Uani 1 1 d G . .
H28 H 0.2366 0.6705 0.1529 0.097 Uiso 1 1 calc R . .
C29 C 0.2155(4) 0.7131(4) 0.1956(5) 0.081(3) Uani 1 1 d G . .
H29 H 0.1939 0.7234 0.1701 0.097 Uiso 1 1 calc R . .
C30 C 0.2223(5) 0.7295(4) 0.2441(5) 0.081(3) Uani 1 1 d G . .
H30 H 0.2052 0.7507 0.2510 0.097 Uiso 1 1 calc R . .
C31 C 0.2176(6) 0.7626(6) 0.3495(7) 0.052(5) Uani 1 1 d . . .
C32 C 0.2109(6) 0.8003(6) 0.3301(7) 0.058(5) Uani 1 1 d . . .
H32 H 0.2332 0.8130 0.3162 0.069 Uiso 1 1 calc R . .
C33 C 0.1707(9) 0.8184(6) 0.3319(8) 0.079(7) Uani 1 1 d . . .
H33 H 0.1668 0.8440 0.3207 0.095 Uiso 1 1 calc R . .
C34 C 0.1354(7) 0.7997(7) 0.3501(8) 0.073(7) Uani 1 1 d . . .
H34 H 0.1074 0.8112 0.3484 0.088 Uiso 1 1 calc R . .
C35 C 0.1443(7) 0.7652(7) 0.3696(8) 0.072(6) Uani 1 1 d . . .
H35 H 0.1221 0.7530 0.3842 0.087 Uiso 1 1 calc R . .
C36 C 0.1830(6) 0.7460(6) 0.3702(8) 0.061(5) Uani 1 1 d . . .
H36 H 0.1867 0.7213 0.3846 0.073 Uiso 1 1 calc R . .
C37 C 0.3088(5) 0.7705(5) 0.3424(6) 0.041(4) Uani 1 1 d . . .
C38 C 0.3308(6) 0.7887(5) 0.3889(6) 0.046(4) Uani 1 1 d . . .
H38 H 0.3234 0.7808 0.4198 0.055 Uiso 1 1 calc R . .
C39 C 0.3631(6) 0.8180(5) 0.3888(6) 0.043(4) Uani 1 1 d . . .
H39 H 0.3763 0.8298 0.4191 0.052 Uiso 1 1 calc R . .
C40 C 0.3751(6) 0.8290(5) 0.3426(7) 0.047(4) Uani 1 1 d . . .
C41 C 0.3538(5) 0.8124(5) 0.2977(6) 0.041(4) Uani 1 1 d . . .
H41 H 0.3612 0.8208 0.2669 0.049 Uiso 1 1 calc R . .
C42 C 0.3217(6) 0.7835(5) 0.2974(6) 0.045(4) Uani 1 1 d . . .
H42 H 0.3084 0.7726 0.2665 0.054 Uiso 1 1 calc R . .
C43 C 0.6722(5) 0.8340(5) 0.5241(6) 0.039(4) Uani 1 1 d . . .
C44 C 0.6936(8) 0.8202(5) 0.4868(8) 0.066(6) Uani 1 1 d . . .
H44 H 0.7042 0.8374 0.4646 0.079 Uiso 1 1 calc R . .
C45 C 0.6988(8) 0.7855(9) 0.4826(8) 0.089(8) Uani 1 1 d . . .
H45 H 0.7122 0.7771 0.4555 0.107 Uiso 1 1 calc R . .
C46 C 0.6858(8) 0.7551(7) 0.5168(8) 0.075(7) Uani 1 1 d . . .
H46 H 0.6903 0.7287 0.5121 0.090 Uiso 1 1 calc R . .
C47 C 0.6668(7) 0.7692(6) 0.5554(8) 0.066(6) Uani 1 1 d . . .
H47 H 0.6591 0.7528 0.5803 0.079 Uiso 1 1 calc R . .
C48 C 0.6591(6) 0.8099(5) 0.5567(7) 0.050(5) Uani 1 1 d . . .
H48 H 0.6441 0.8198 0.5817 0.060 Uiso 1 1 calc R . .
C49 C 0.6443(6) 0.8954(5) 0.5861(6) 0.042(4) Uani 1 1 d . . .
C50 C 0.6814(7) 0.9071(6) 0.6229(8) 0.070(6) Uani 1 1 d . . .
H50 H 0.7091 0.9102 0.6129 0.084 Uiso 1 1 calc R . .
C51 C 0.6776(10) 0.9144(7) 0.6759(9) 0.092(8) Uani 1 1 d . . .
H51 H 0.7013 0.9231 0.7002 0.111 Uiso 1 1 calc R . .
C52 C 0.6321(9) 0.9065(7) 0.6876(8) 0.083(8) Uani 1 1 d . . .
H52 H 0.6271 0.9086 0.7211 0.099 Uiso 1 1 calc R . .
C53 C 0.5966(8) 0.8959(6) 0.6489(8) 0.073(7) Uani 1 1 d . . .
H53 H 0.5681 0.8925 0.6571 0.088 Uiso 1 1 calc R . .
C54 C 0.6025(7) 0.8904(5) 0.5997(7) 0.059(5) Uani 1 1 d . . .
H54 H 0.5783 0.8832 0.5751 0.071 Uiso 1 1 calc R . .
C55 C 0.6027(5) 0.8867(4) 0.4815(6) 0.034(4) Uani 1 1 d . . .
C56 C 0.5842(5) 0.9224(5) 0.4630(6) 0.039(4) Uani 1 1 d . . .
H56 H 0.5997 0.9453 0.4729 0.047 Uiso 1 1 calc R . .
C57 C 0.5442(5) 0.9246(5) 0.4308(6) 0.043(4) Uani 1 1 d . . .
H57 H 0.5319 0.9487 0.4202 0.051 Uiso 1 1 calc R . .
C58 C 0.5219(5) 0.8902(5) 0.4138(6) 0.039(4) Uani 1 1 d . . .
C59 C 0.5389(5) 0.8556(5) 0.4309(6) 0.043(4) Uani 1 1 d . . .
H59 H 0.5237 0.8328 0.4198 0.051 Uiso 1 1 calc R . .
C60 C 0.5795(6) 0.8533(5) 0.4655(6) 0.049(5) Uani 1 1 d . . .
H60 H 0.5906 0.8292 0.4775 0.058 Uiso 1 1 calc R . .
C61 C 0.4780(5) 0.8930(5) 0.3772(6) 0.041(4) Uani 1 1 d . . .
C62 C 0.4701(5) 0.7310(5) 0.4780(6) 0.041(4) Uani 1 1 d . . .
C63 C 0.5139(8) 0.7312(7) 0.4948(7) 0.080(7) Uani 1 1 d . . .
H63 H 0.5248 0.7312 0.5296 0.096 Uiso 1 1 calc R . .
C64 C 0.5449(7) 0.7314(7) 0.4589(8) 0.077(7) Uani 1 1 d . . .
H64 H 0.5755 0.7336 0.4705 0.092 Uiso 1 1 calc R . .
C65 C 0.5291(7) 0.7282(6) 0.4081(7) 0.060(5) Uani 1 1 d . . .
C66 C 0.4836(6) 0.7278(7) 0.3924(7) 0.079(8) Uani 1 1 d . . .
H66 H 0.4715 0.7276 0.3578 0.095 Uiso 1 1 calc R . .
C67 C 0.4565(7) 0.7276(7) 0.4287(8) 0.080(7) Uani 1 1 d . . .
H67 H 0.4259 0.7247 0.4175 0.096 Uiso 1 1 calc R . .
C68 C 0.4461(5) 0.8630(5) 0.3784(6) 0.048(5) Uani 1 1 d . . .
H68 H 0.4511 0.8445 0.4043 0.058 Uiso 1 1 calc R . .
C69 C 0.5593(6) 0.7276(6) 0.3708(7) 0.057(5) Uani 1 1 d . . .
C70 C 0.5926(6) 0.7549(6) 0.3755(7) 0.057(5) Uani 1 1 d . . .
H70 H 0.5947 0.7724 0.4024 0.069 Uiso 1 1 calc R . .
C71 C 0.6238(6) 0.7582(5) 0.3426(7) 0.050(5) Uani 1 1 d . . .
C72 C 0.6202(7) 0.7300(6) 0.3041(7) 0.061(6) Uani 1 1 d . . .
H72 H 0.6422 0.7292 0.2836 0.074 Uiso 1 1 calc R . .
C73 C 0.5844(8) 0.7024(5) 0.2947(7) 0.060(5) Uani 1 1 d . A .
C74 C 0.5550(6) 0.7022(5) 0.3293(7) 0.050(5) Uani 1 1 d . . .
H74 H 0.5314 0.6846 0.3246 0.060 Uiso 1 1 calc R . .
C75 C 0.5800(7) 1.0328(6) 0.4072(8) 0.066(2) Uani 1 1 d . . .
C76 C 0.5369(7) 1.0380(6) 0.3788(8) 0.066(2) Uani 1 1 d . . .
H76 H 0.5332 1.0380 0.3434 0.080 Uiso 1 1 calc R . .
C77 C 0.5005(8) 1.0432(6) 0.4019(8) 0.066(2) Uani 1 1 d . . .
H77 H 0.4726 1.0472 0.3820 0.080 Uiso 1 1 calc R . .
C78 C 0.5041(7) 1.0425(6) 0.4520(7) 0.066(2) Uani 1 1 d . . .
H78 H 0.4790 1.0454 0.4676 0.080 Uiso 1 1 calc R . .
C79 C 0.5469(7) 1.0372(6) 0.4811(8) 0.066(2) Uani 1 1 d . . .
H79 H 0.5500 1.0378 0.5165 0.080 Uiso 1 1 calc R . .
C80 C 0.5837(8) 1.0313(6) 0.4599(8) 0.066(2) Uani 1 1 d . . .
H80 H 0.6113 1.0264 0.4802 0.080 Uiso 1 1 calc R . .
C81 C 0.6447(6) 1.0720(3) 0.3557(5) 0.098(4) Uani 1 1 d G . .
C86 C 0.6870(5) 1.0748(4) 0.3422(6) 0.098(4) Uani 1 1 d G . .
H86 H 0.7060 1.0534 0.3459 0.118 Uiso 1 1 calc R . .
C85 C 0.7008(5) 1.1097(5) 0.3233(5) 0.098(4) Uani 1 1 d G . .
H85 H 0.7291 1.1116 0.3143 0.118 Uiso 1 1 calc R . .
C84 C 0.6723(6) 1.1417(3) 0.3178(5) 0.098(4) Uani 1 1 d G . .
H84 H 0.6815 1.1650 0.3051 0.118 Uiso 1 1 calc R . .
C83 C 0.6300(5) 1.1389(4) 0.3312(5) 0.098(4) Uani 1 1 d G . .
H83 H 0.6110 1.1603 0.3275 0.118 Uiso 1 1 calc R . .
C82 C 0.6162(5) 1.1040(5) 0.3502(5) 0.098(4) Uani 1 1 d G . .
H82 H 0.5879 1.1021 0.3591 0.118 Uiso 1 1 calc R . .
C87 C 0.6102(6) 0.9964(4) 0.3236(6) 0.035(4) Uani 1 1 d . . .
C88 C 0.5914(7) 1.0103(5) 0.2758(7) 0.056(5) Uani 1 1 d . . .
H88 H 0.5894 1.0371 0.2712 0.067 Uiso 1 1 calc R . .
C89 C 0.5762(7) 0.9875(5) 0.2363(7) 0.062(6) Uani 1 1 d . . .
H89 H 0.5645 0.9984 0.2048 0.075 Uiso 1 1 calc R . .
C90 C 0.5781(6) 0.9463(5) 0.2424(6) 0.044(4) Uani 1 1 d . . .
C91 C 0.5937(6) 0.9319(5) 0.2913(6) 0.049(5) Uani 1 1 d . . .
H91 H 0.5938 0.9053 0.2976 0.058 Uiso 1 1 calc R . .
C92 C 0.6088(6) 0.9577(5) 0.3299(6) 0.048(4) Uani 1 1 d . . .
H92 H 0.6186 0.9477 0.3624 0.057 Uiso 1 1 calc R . .
C93 C 0.7611(7) 0.8991(6) 0.2835(5) 0.124(5) Uani 1 1 d G . .
C94 C 0.7324(6) 0.8810(5) 0.2442(6) 0.124(5) Uani 1 1 d G . .
H94 H 0.7139 0.8608 0.2514 0.149 Uiso 1 1 calc R . .
C95 C 0.7313(6) 0.8930(6) 0.1941(5) 0.124(5) Uani 1 1 d G . .
H95 H 0.7121 0.8808 0.1677 0.149 Uiso 1 1 calc R . .
C96 C 0.7589(7) 0.9231(6) 0.1833(5) 0.124(5) Uani 1 1 d G . .
H96 H 0.7581 0.9311 0.1498 0.149 Uiso 1 1 calc R . .
C97 C 0.7876(6) 0.9412(5) 0.2226(6) 0.124(5) Uani 1 1 d G . .
H97 H 0.8060 0.9614 0.2154 0.149 Uiso 1 1 calc R . .
C98 C 0.7887(6) 0.9293(6) 0.2727(5) 0.124(5) Uani 1 1 d G . .
H98 H 0.8079 0.9414 0.2991 0.149 Uiso 1 1 calc R . .
C99 C 0.8197(8) 0.8621(8) 0.3636(9) 0.089(3) Uani 1 1 d . . .
C100 C 0.8415(8) 0.8500(7) 0.3267(9) 0.089(3) Uani 1 1 d . . .
H100 H 0.8294 0.8536 0.2925 0.107 Uiso 1 1 calc R . .
C101 C 0.8824(8) 0.8319(7) 0.3410(9) 0.089(3) Uani 1 1 d . . .
H101 H 0.9007 0.8269 0.3170 0.107 Uiso 1 1 calc R . .
C102 C 0.8959(8) 0.8213(8) 0.3913(9) 0.089(3) Uani 1 1 d . . .
H102 H 0.9207 0.8050 0.3993 0.107 Uiso 1 1 calc R . .
C103 C 0.8759(8) 0.8329(8) 0.4279(10) 0.089(3) Uani 1 1 d . . .
H103 H 0.8874 0.8272 0.4618 0.107 Uiso 1 1 calc R . .
C104 C 0.8365(8) 0.8543(8) 0.4148(9) 0.089(3) Uani 1 1 d . . .
H104 H 0.8213 0.8633 0.4401 0.107 Uiso 1 1 calc R . .
C105 C 0.7236(6) 0.8463(5) 0.3492(6) 0.048(5) Uani 1 1 d . . .
C106 C 0.7338(7) 0.8073(5) 0.3427(6) 0.055(5) Uani 1 1 d . . .
H106 H 0.7629 0.8006 0.3392 0.066 Uiso 1 1 calc R . .
C107 C 0.7029(7) 0.7788(6) 0.3412(7) 0.062(5) Uani 1 1 d . . .
H107 H 0.7107 0.7529 0.3374 0.075 Uiso 1 1 calc R . .
C108 C 0.6587(6) 0.7888(5) 0.3455(7) 0.048(4) Uani 1 1 d . . .
C109 C 0.6485(6) 0.8274(6) 0.3529(7) 0.060(5) Uani 1 1 d . . .
H109 H 0.6194 0.8337 0.3568 0.072 Uiso 1 1 calc R . .
C110 C 0.6801(6) 0.8573(5) 0.3548(6) 0.049(5) Uani 1 1 d . . .
H110 H 0.6727 0.8832 0.3595 0.059 Uiso 1 1 calc R . .
C112 C 0.5980(6) 0.6903(3) 0.2074(6) 0.087(3) Uani 1 1 d G A 1
H112 H 0.6068 0.7162 0.2064 0.105 Uiso 1 1 calc R A 1
C113 C 0.5991(6) 0.6663(4) 0.1656(5) 0.087(3) Uani 1 1 d G A 1
H113 H 0.6086 0.6761 0.1366 0.105 Uiso 1 1 calc R A 1
C114 C 0.5859(6) 0.6276(4) 0.1670(5) 0.087(3) Uani 1 1 d G . .
C115 C 0.5717(6) 0.6129(3) 0.2103(5) 0.087(3) Uani 1 1 d G A 1
H115 H 0.5629 0.5870 0.2113 0.105 Uiso 1 1 calc R A 1
C116 C 0.5706(6) 0.6370(4) 0.2521(4) 0.087(3) Uani 1 1 d G A 1
H116 H 0.5611 0.6272 0.2811 0.105 Uiso 1 1 calc R A 1
C111 C 0.5838(6) 0.6757(4) 0.2507(5) 0.087(3) Uani 1 1 d G . .
C117 C 0.7805(7) 0.9850(5) 0.4952(8) 0.060(5) Uani 1 1 d . . .
C118 C 0.8133(7) 0.9579(6) 0.5204(9) 0.088(8) Uani 1 1 d . . .
H11A H 0.8268 0.9443 0.4953 0.132 Uiso 1 1 calc R . .
H11B H 0.7989 0.9394 0.5395 0.132 Uiso 1 1 calc R . .
H11C H 0.8359 0.9717 0.5430 0.132 Uiso 1 1 calc R . .
C119 C 0.7627(7) 1.0092(6) 0.5376(8) 0.073(6) Uani 1 1 d . . .
H11D H 0.7468 0.9924 0.5571 0.109 Uiso 1 1 calc R . .
H11E H 0.7430 1.0293 0.5220 0.109 Uiso 1 1 calc R . .
H11F H 0.7876 1.0209 0.5598 0.109 Uiso 1 1 calc R . .
C120 C 0.8028(7) 1.0115(6) 0.4630(9) 0.077(7) Uani 1 1 d . . .
H12A H 0.7815 1.0198 0.4341 0.116 Uiso 1 1 calc R . .
H12B H 0.8269 0.9979 0.4514 0.116 Uiso 1 1 calc R . .
H12C H 0.8144 1.0338 0.4827 0.116 Uiso 1 1 calc R . .
C121 C 0.2891(6) 0.6420(5) 0.5036(7) 0.052(5) Uani 1 1 d . . .
C122 C 0.2668(6) 0.6741(6) 0.5271(7) 0.056(5) Uani 1 1 d . . .
H12D H 0.2586 0.6944 0.5025 0.084 Uiso 1 1 calc R . .
H12E H 0.2870 0.6843 0.5558 0.084 Uiso 1 1 calc R . .
H12F H 0.2404 0.6643 0.5384 0.084 Uiso 1 1 calc R . .
C123 C 0.2544(7) 0.6163(5) 0.4683(8) 0.067(6) Uani 1 1 d . . .
H12G H 0.2429 0.5967 0.4883 0.100 Uiso 1 1 calc R . .
H12H H 0.2687 0.6041 0.4429 0.100 Uiso 1 1 calc R . .
H12I H 0.2302 0.6324 0.4520 0.100 Uiso 1 1 calc R . .
C124 C 0.3193(8) 0.6164(7) 0.5452(8) 0.083(7) Uani 1 1 d . . .
H12J H 0.3462 0.6304 0.5584 0.125 Uiso 1 1 calc R . .
H12K H 0.3270 0.5925 0.5300 0.125 Uiso 1 1 calc R . .
H12L H 0.3032 0.6107 0.5724 0.125 Uiso 1 1 calc R . .
C125 C 0.5295(5) 0.9207(5) 0.1617(6) 0.041(4) Uani 1 1 d . . .
H125 H 0.5087 0.9404 0.1630 0.050 Uiso 1 1 calc R . .
C126 C 0.5989(6) 0.8880(5) 0.1964(7) 0.053(5) Uani 1 1 d . . .
H126 H 0.6243 0.8861 0.2214 0.063 Uiso 1 1 calc R . .
C127 C 0.5686(6) 0.9188(5) 0.1989(6) 0.043(4) Uani 1 1 d . . .
C128 C 0.4081(6) 0.8605(5) 0.3423(6) 0.045(4) Uani 1 1 d . . .
P7 P 0.5000 0.8787(5) 0.7500 0.132(3) Uani 1 2 d SD . .
F1 F 0.5000 0.8339(6) 0.7500 0.132(3) Uani 1 2 d SD . .
F2 F 0.5000 0.9249(6) 0.7500 0.132(3) Uani 1 2 d SD . .
F3 F 0.4918(6) 0.8784(5) 0.6888(5) 0.132(3) Uani 1 1 d D . .
F4 F 0.4491(4) 0.8848(5) 0.7490(6) 0.132(3) Uani 1 1 d D . .
P8 P 0.3170(5) 0.3416(4) 0.5766(6) 0.183(3) Uani 0.95 1 d PD . .
F5 F 0.2870(8) 0.3065(5) 0.5826(9) 0.183(3) Uani 0.95 1 d PD . .
F6 F 0.3425(8) 0.3435(7) 0.6332(7) 0.183(3) Uani 0.95 1 d PD . .
F7 F 0.2807(6) 0.3698(5) 0.5895(9) 0.183(3) Uani 0.95 1 d PD . .
F8 F 0.2940(8) 0.3395(7) 0.5207(7) 0.183(3) Uani 0.95 1 d PD . .
F9 F 0.3599(7) 0.3181(5) 0.5621(9) 0.183(3) Uani 0.95 1 d PD . .
F10 F 0.3495(7) 0.3776(5) 0.5694(9) 0.183(3) Uani 0.95 1 d PD . .
P9 P 0.5683(6) 0.4057(5) 0.2767(6) 0.165(5) Uani 0.55 1 d PD . .
F11 F 0.5979(9) 0.4027(10) 0.3312(8) 0.165(5) Uani 0.55 1 d PD . .
F12 F 0.6090(8) 0.3993(8) 0.2512(9) 0.165(5) Uani 0.55 1 d PD . .
F13 F 0.5807(12) 0.4489(6) 0.2879(12) 0.165(5) Uani 0.55 1 d PD . .
F14 F 0.5397(9) 0.4157(10) 0.2231(8) 0.165(5) Uani 0.55 1 d PD . .
F15 F 0.5615(12) 0.3620(6) 0.2683(12) 0.165(5) Uani 0.55 1 d PD . .
F16 F 0.5259(8) 0.4096(9) 0.3010(10) 0.165(5) Uani 0.55 1 d PD . .
C129 C 0.1600(10) 0.5324(8) 0.6169(11) 0.125(2) Uani 0.80 1 d PD . .
H12M H 0.1882 0.5185 0.6199 0.150 Uiso 0.80 1 calc PR . .
H12N H 0.1577 0.5427 0.6503 0.150 Uiso 0.80 1 calc PR . .
Cl1 Cl 0.1179(4) 0.5001(3) 0.5999(4) 0.125(2) Uani 0.80 1 d PD . .
Cl2 Cl 0.1613(4) 0.5708(3) 0.5758(3) 0.125(2) Uani 0.80 1 d PD . .
C130 C 0.430(4) 0.459(3) 0.097(4) 0.148(8) Uani 0.30 1 d P . .
H13C H 0.4487 0.4560 0.1302 0.178 Uiso 0.30 1 calc PR . .
H13D H 0.3992 0.4554 0.0993 0.178 Uiso 0.30 1 calc PR . .
Cl3 Cl 0.4411(13) 0.5064(8) 0.0653(12) 0.148(8) Uani 0.30 1 d P . .
Cl4 Cl 0.4462(13) 0.4283(8) 0.0552(12) 0.148(8) Uani 0.30 1 d P . .
C131 C 0.4055(13) 0.1980(9) 0.2974(12) 0.090(11) Uani 0.712(12) 1 d P . .
H13E H 0.3784 0.1824 0.2930 0.108 Uiso 0.712(12) 1 calc PR . .
H13F H 0.4300 0.1811 0.2922 0.108 Uiso 0.712(12) 1 calc PR . .
Cl5 Cl 0.4157(4) 0.2150(3) 0.3580(4) 0.109(4) Uani 0.712(12) 1 d P . .
Cl6 Cl 0.3993(3) 0.2343(3) 0.2509(3) 0.089(3) Uani 0.712(12) 1 d P . .
C132 C 0.5000 0.526(3) 0.2500 0.107(6) Uani 0.30 2 d SP . .
H13G H 0.4793 0.5084 0.2629 0.129 Uiso 0.15 1 calc PR . .
H13H H 0.5207 0.5084 0.2371 0.129 Uiso 0.15 1 calc PR . .
Cl7 Cl 0.5281(10) 0.5363(6) 0.2989(8) 0.107(6) Uani 0.30 1 d P . .
Cl8 Cl 0.4641(18) 0.8087(19) 0.283(3) 0.08(2) Uani 0.06 1 d PD . .
Cl9 Cl 0.5505(9) 0.8094(19) 0.262(3) 0.08(2) Uani 0.06 1 d PD . .
C133 C 0.5000 0.832(2) 0.2500 0.08(2) Uani 0.06 2 d SPD . 2
C134 C 0.5000 0.787(2) 0.2500 0.08(2) Uani 0.06 2 d SPD . 1
Cl10 Cl 0.7977(11) 1.0505(9) 0.1883(13) 0.107(6) Uani 0.20 1 d PD . .
C135 C 0.8343(15) 1.046(4) 0.1482(14) 0.107(6) Uani 0.20 1 d PD . .
H13A H 0.8350 1.0701 0.1291 0.129 Uiso 0.20 1 calc PR . .
H13B H 0.8249 1.0253 0.1242 0.129 Uiso 0.20 1 calc PR . .
Cl11 Cl 0.8858(11) 1.0365(9) 0.1799(13) 0.107(6) Uani 0.20 1 d PD . .


_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
Au1 N1 2.075(14) . ?
Au1 P1 2.263(5) 2_655 ?
Au1 Au2 2.9426(10) . ?
Au1 Au3 3.1480(10) . ?
Au2 N1 2.044(13) . ?
Au2 P2 2.235(5) . ?
Au2 Au3 3.0538(10) . ?
Au3 N1 2.050(13) . ?
Au3 P3 2.233(4) . ?
Au4 N2 2.067(13) . ?
Au4 P4 2.235(4) . ?
Au4 Au5 3.0243(10) . ?
Au4 Au6 3.0272(10) . ?
Au5 N2 2.056(14) . ?
Au5 P5 2.237(5) . ?
Au5 Au6 3.1445(11) . ?
Au6 N2 2.070(14) . ?
Au6 P6 2.228(5) . ?
P1 C7 1.815(19) . ?
P1 C5 1.825(17) . ?
P1 C114 1.829(10) . ?
P1 Au1 2.263(5) 2_655 ?
P2 C13 1.75(2) . ?
P2 C19 1.809(11) . ?
P2 C62 1.826(16) . ?
P3 C37 1.779(16) . ?
P3 C31 1.788(18) . ?
P3 C25 1.799(10) . ?
P4 C49 1.787(17) . ?
P4 C55 1.812(16) . ?
P4 C43 1.830(17) . ?
P5 C87 1.792(15) . ?
P5 C81 1.792(10) . ?
P5 C75 1.81(2) . ?
P6 C93 1.809(12) . ?
P6 C99 1.83(2) . ?
P6 C105 1.833(17) . ?
N1 C121 1.51(2) . ?
N2 C117 1.43(2) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C1 H1 0.9300 . ?
C2 C3 1.3900 . ?
C2 H2 0.9300 . ?
C3 C4 1.3900 . ?
C3 H3 0.9300 . ?
C4 C5 1.3900 . ?
C4 H4 0.9300 . ?
C5 C6 1.3900 . ?
C6 H6 0.9300 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 C9 1.3900 . ?
C8 H8 0.9300 . ?
C9 C10 1.3900 . ?
C9 H9 0.9300 . ?
C10 C11 1.3900 . ?
C10 H10 0.9300 . ?
C11 C12 1.3900 . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.40(3) . ?
C13 C14 1.41(3) . ?
C14 C15 1.37(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.41(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.36(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.42(3) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.3900 . ?
C19 C24 1.3900 . ?
C20 C21 1.3900 . ?
C20 H20 0.9300 . ?
C21 C22 1.3900 . ?
C21 H21 0.9300 . ?
C22 C23 1.3900 . ?
C22 H22 0.9300 . ?
C23 C24 1.3900 . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 C27 1.3900 . ?
C26 H26 0.9300 . ?
C27 C28 1.3900 . ?
C27 H27 0.9300 . ?
C28 C29 1.3900 . ?
C28 H28 0.9300 . ?
C29 C30 1.3900 . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.38(2) . ?
C31 C32 1.40(3) . ?
C32 C33 1.37(3) . ?
C32 H32 0.9300 . ?
C33 C34 1.40(3) . ?
C33 H33 0.9300 . ?
C34 C35 1.30(3) . ?
C34 H34 0.9300 . ?
C35 C36 1.35(3) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C42 1.39(2) . ?
C37 C38 1.44(2) . ?
C38 C39 1.40(2) . ?
C38 H38 0.9300 . ?
C39 C40 1.39(2) . ?
C39 H39 0.9300 . ?
C40 C41 1.38(2) . ?
C40 C128 1.47(2) . ?
C41 C42 1.39(2) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C48 1.31(2) . ?
C43 C44 1.36(2) . ?
C44 C45 1.21(3) . ?
C44 H44 0.9300 . ?
C45 C46 1.48(3) . ?
C45 H45 0.9300 . ?
C46 C47 1.35(3) . ?
C46 H46 0.9300 . ?
C47 C48 1.42(2) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 C54 1.39(2) . ?
C49 C50 1.42(3) . ?
C50 C51 1.46(3) . ?
C50 H50 0.9300 . ?
C51 C52 1.49(3) . ?
C51 H51 0.9300 . ?
C52 C53 1.41(3) . ?
C52 H52 0.9300 . ?
C53 C54 1.36(3) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 C60 1.37(2) . ?
C55 C56 1.40(2) . ?
C56 C57 1.36(2) . ?
C56 H56 0.9300 . ?
C57 C58 1.40(2) . ?
C57 H57 0.9300 . ?
C58 C59 1.35(2) . ?
C58 C61 1.51(2) . ?
C59 C60 1.41(2) . ?
C59 H59 0.9300 . ?
C60 H60 0.9300 . ?
C61 C125 1.39(2) 2_655 ?
C61 C68 1.42(2) . ?
C62 C67 1.31(2) . ?
C62 C63 1.33(3) . ?
C63 C64 1.45(3) . ?
C63 H63 0.9300 . ?
C64 C65 1.36(3) . ?
C64 H64 0.9300 . ?
C65 C66 1.37(3) . ?
C65 C69 1.46(2) . ?
C66 C67 1.37(3) . ?
C66 H66 0.9300 . ?
C67 H67 0.9300 . ?
C68 C128 1.37(2) . ?
C68 H68 0.9300 . ?
C69 C70 1.37(2) . ?
C69 C74 1.39(2) . ?
C70 C71 1.40(2) . ?
C70 H70 0.9300 . ?
C71 C72 1.40(2) . ?
C71 C108 1.48(2) . ?
C72 C73 1.43(3) . ?
C72 H72 0.9300 . ?
C73 C74 1.38(2) . ?
C73 C111 1.48(2) . ?
C74 H74 0.9300 . ?
C75 C80 1.39(3) . ?
C75 C76 1.40(3) . ?
C76 C77 1.36(3) . ?
C76 H76 0.9300 . ?
C77 C78 1.32(2) . ?
C77 H77 0.9300 . ?
C78 C79 1.41(3) . ?
C78 H78 0.9300 . ?
C79 C80 1.35(3) . ?
C79 H79 0.9300 . ?
C80 H80 0.9300 . ?
C81 C86 1.3900 . ?
C81 C82 1.3900 . ?
C86 C85 1.3900 . ?
C86 H86 0.9300 . ?
C85 C84 1.3900 . ?
C85 H85 0.9300 . ?
C84 C83 1.3900 . ?
C84 H84 0.9300 . ?
C83 C82 1.3900 . ?
C83 H83 0.9300 . ?
C82 H82 0.9300 . ?
C87 C92 1.34(2) . ?
C87 C88 1.39(2) . ?
C88 C89 1.33(2) . ?
C88 H88 0.9300 . ?
C89 C90 1.42(2) . ?
C89 H89 0.9300 . ?
C90 C91 1.40(2) . ?
C90 C127 1.48(2) . ?
C91 C92 1.37(2) . ?
C91 H91 0.9300 . ?
C92 H92 0.9300 . ?
C93 C94 1.3900 . ?
C93 C98 1.3900 . ?
C94 C95 1.3900 . ?
C94 H94 0.9300 . ?
C95 C96 1.3900 . ?
C95 H95 0.9300 . ?
C96 C97 1.3900 . ?
C96 H96 0.9300 . ?
C97 C98 1.3900 . ?
C97 H97 0.9300 . ?
C98 H98 0.9300 . ?
C99 C100 1.34(3) . ?
C99 C104 1.40(3) . ?
C100 C101 1.38(3) . ?
C100 H100 0.9300 . ?
C101 C102 1.38(3) . ?
C101 H101 0.9300 . ?
C102 C103 1.29(3) . ?
C102 H102 0.9300 . ?
C103 C104 1.40(3) . ?
C103 H103 0.9300 . ?
C104 H104 0.9300 . ?
C105 C106 1.39(2) . ?
C105 C110 1.40(2) . ?
C106 C107 1.35(3) . ?
C106 H106 0.9300 . ?
C107 C108 1.41(3) . ?
C107 H107 0.9300 . ?
C108 C109 1.38(2) . ?
C109 C110 1.40(2) . ?
C109 H109 0.9300 . ?
C110 H110 0.9300 . ?
C112 C113 1.3900 . ?
C112 C111 1.3900 . ?
C112 H112 0.9300 . ?
C113 C114 1.3900 . ?
C113 H113 0.9300 . ?
C114 C115 1.3900 . ?
C115 C116 1.3900 . ?
C115 H115 0.9300 . ?
C116 C111 1.3900 . ?
C116 H116 0.9300 . ?
C117 C118 1.44(3) . ?
C117 C120 1.49(3) . ?
C117 C119 1.57(3) . ?
C118 H11A 0.9600 . ?
C118 H11B 0.9600 . ?
C118 H11C 0.9600 . ?
C119 H11D 0.9600 . ?
C119 H11E 0.9600 . ?
C119 H11F 0.9600 . ?
C120 H12A 0.9600 . ?
C120 H12B 0.9600 . ?
C120 H12C 0.9600 . ?
C121 C122 1.49(2) . ?
C121 C123 1.56(3) . ?
C121 C124 1.58(3) . ?
C122 H12D 0.9600 . ?
C122 H12E 0.9600 . ?
C122 H12F 0.9600 . ?
C123 H12G 0.9600 . ?
C123 H12H 0.9600 . ?
C123 H12I 0.9600 . ?
C124 H12J 0.9600 . ?
C124 H12K 0.9600 . ?
C124 H12L 0.9600 . ?
C125 C61 1.39(2) 2_655 ?
C125 C127 1.41(2) . ?
C125 H125 0.9300 . ?
C126 C128 1.39(2) 2_655 ?
C126 C127 1.41(2) . ?
C126 H126 0.9300 . ?
C128 C126 1.39(2) 2_655 ?
P7 F1 1.537(16) . ?
P7 F4 1.552(13) 2_656 ?
P7 F4 1.552(13) . ?
P7 F2 1.586(16) . ?
P7 F3 1.605(13) 2_656 ?
P7 F3 1.605(13) . ?
P8 F5 1.533(16) . ?
P8 F8 1.533(16) . ?
P8 F7 1.545(15) . ?
P8 F6 1.572(16) . ?
P8 F10 1.611(15) . ?
P8 F9 1.629(15) . ?
P9 F12 1.520(16) . ?
P9 F15 1.525(18) . ?
P9 F16 1.540(16) . ?
P9 F13 1.547(18) . ?
P9 F11 1.574(17) . ?
P9 F14 1.577(17) . ?
C129 Cl1 1.692(17) . ?
C129 Cl2 1.720(17) . ?
C129 H12M 0.9700 . ?
C129 H12N 0.9700 . ?
C130 Cl4 1.65(11) . ?
C130 Cl3 1.89(10) . ?
C130 H13C 0.9700 . ?
C130 H13D 0.9700 . ?
C131 Cl5 1.69(3) . ?
C131 Cl6 1.74(3) . ?
C131 H13E 0.9700 . ?
C131 H13F 0.9700 . ?
C132 Cl7 1.47(3) . ?
C132 Cl7 1.47(3) 2_655 ?
C132 H13G 0.9700 . ?
C132 H13H 0.9700 . ?
Cl8 Cl9 1.20(11) 2_655 ?
Cl8 C134 1.69(2) . ?
Cl8 C133 1.71(2) . ?
Cl9 Cl8 1.20(11) 2_655 ?
Cl9 C133 1.69(2) . ?
Cl9 C134 1.70(2) . ?
C133 Cl9 1.69(2) 2_655 ?
C133 Cl8 1.71(2) 2_655 ?
C134 Cl8 1.69(2) 2_655 ?
C134 Cl9 1.70(2) 2_655 ?
Cl10 C135 1.67(2) . ?
C135 Cl11 1.68(2) . ?
C135 H13A 0.9700 . ?
C135 H13B 0.9700 . ?

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
N1 Au1 P1 171.2(4) . 2_655 ?
N1 Au1 Au2 44.0(4) . . ?
P1 Au1 Au2 128.85(13) 2_655 . ?
N1 Au1 Au3 40.0(4) . . ?
P1 Au1 Au3 135.01(13) 2_655 . ?
Au2 Au1 Au3 60.07(2) . . ?
N1 Au2 P2 174.2(4) . . ?
N1 Au2 Au1 44.8(4) . . ?
P2 Au2 Au1 129.63(12) . . ?
N1 Au2 Au3 41.8(4) . . ?
P2 Au2 Au3 136.96(12) . . ?
Au1 Au2 Au3 63.30(2) . . ?
N1 Au3 P3 173.7(4) . . ?
N1 Au3 Au2 41.7(4) . . ?
P3 Au3 Au2 132.20(11) . . ?
N1 Au3 Au1 40.6(4) . . ?
P3 Au3 Au1 137.55(11) . . ?
Au2 Au3 Au1 56.63(2) . . ?
N2 Au4 P4 174.1(4) . . ?
N2 Au4 Au5 42.7(4) . . ?
P4 Au4 Au5 131.93(11) . . ?
N2 Au4 Au6 43.0(4) . . ?
P4 Au4 Au6 135.22(11) . . ?
Au5 Au4 Au6 62.61(2) . . ?
N2 Au5 P5 174.9(4) . . ?
N2 Au5 Au4 43.0(4) . . ?
P5 Au5 Au4 136.43(12) . . ?
N2 Au5 Au6 40.5(4) . . ?
P5 Au5 Au6 134.42(12) . . ?
Au4 Au5 Au6 58.74(2) . . ?
N2 Au6 P6 175.0(4) . . ?
N2 Au6 Au4 42.9(4) . . ?
P6 Au6 Au4 132.22(14) . . ?
N2 Au6 Au5 40.2(4) . . ?
P6 Au6 Au5 141.19(13) . . ?
Au4 Au6 Au5 58.65(2) . . ?
C7 P1 C5 108.2(12) . . ?
C7 P1 C114 114.6(10) . . ?
C5 P1 C114 100.6(11) . . ?
C7 P1 Au1 111.8(9) . 2_655 ?
C5 P1 Au1 113.3(9) . 2_655 ?
C114 P1 Au1 108.0(5) . 2_655 ?
C13 P2 C19 106.4(9) . . ?
C13 P2 C62 102.9(9) . . ?
C19 P2 C62 106.5(7) . . ?
C13 P2 Au2 116.7(8) . . ?
C19 P2 Au2 111.1(6) . . ?
C62 P2 Au2 112.4(6) . . ?
C37 P3 C31 104.3(8) . . ?
C37 P3 C25 105.5(7) . . ?
C31 P3 C25 103.1(8) . . ?
C37 P3 Au3 109.2(6) . . ?
C31 P3 Au3 117.0(6) . . ?
C25 P3 Au3 116.5(5) . . ?
C49 P4 C55 105.8(8) . . ?
C49 P4 C43 106.1(7) . . ?
C55 P4 C43 103.6(7) . . ?
C49 P4 Au4 114.8(6) . . ?
C55 P4 Au4 109.8(5) . . ?
C43 P4 Au4 115.8(6) . . ?
C87 P5 C81 106.6(7) . . ?
C87 P5 C75 103.8(9) . . ?
C81 P5 C75 107.6(9) . . ?
C87 P5 Au5 109.6(6) . . ?
C81 P5 Au5 111.1(6) . . ?
C75 P5 Au5 117.3(7) . . ?
C93 P6 C99 102.4(11) . . ?
C93 P6 C105 104.6(8) . . ?
C99 P6 C105 106.0(11) . . ?
C93 P6 Au6 120.4(7) . . ?
C99 P6 Au6 113.1(8) . . ?
C105 P6 Au6 109.2(6) . . ?
C121 N1 Au2 120.7(10) . . ?
C121 N1 Au3 119.1(11) . . ?
Au2 N1 Au3 96.5(5) . . ?
C121 N1 Au1 123.4(10) . . ?
Au2 N1 Au1 91.2(5) . . ?
Au3 N1 Au1 99.5(6) . . ?
C117 N2 Au5 124.2(12) . . ?
C117 N2 Au4 121.4(12) . . ?
Au5 N2 Au4 94.4(5) . . ?
C117 N2 Au6 117.1(11) . . ?
Au5 N2 Au6 99.3(6) . . ?
Au4 N2 Au6 94.0(5) . . ?
C2 C1 C6 120.0 . . ?
C2 C1 H1 120.0 . . ?
C6 C1 H1 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C2 C3 C4 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 P1 121.2(16) . . ?
C6 C5 P1 118.5(16) . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C8 C7 C12 120.0 . . ?
C8 C7 P1 119.7(16) . . ?
C12 C7 P1 120.1(16) . . ?
C7 C8 C9 120.0 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C7 120.0 . . ?
C11 C12 H12 120.0 . . ?
C7 C12 H12 120.0 . . ?
C18 C13 C14 115(2) . . ?
C18 C13 P2 118.4(17) . . ?
C14 C13 P2 126.5(19) . . ?
C15 C14 C13 124(2) . . ?
C15 C14 H14 117.9 . . ?
C13 C14 H14 117.9 . . ?
C14 C15 C16 119(2) . . ?
C14 C15 H15 120.5 . . ?
C16 C15 H15 120.5 . . ?
C17 C16 C15 118(2) . . ?
C17 C16 H16 120.8 . . ?
C15 C16 H16 120.8 . . ?
C16 C17 C18 121(2) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C13 C18 C17 121(2) . . ?
C13 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C20 C19 C24 120.0 . . ?
C20 C19 P2 122.8(10) . . ?
C24 C19 P2 117.2(10) . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C19 120.0 . . ?
C23 C24 H24 120.0 . . ?
C19 C24 H24 120.0 . . ?
C26 C25 C30 120.0 . . ?
C26 C25 P3 117.4(9) . . ?
C30 C25 P3 122.6(9) . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C29 C28 C27 120.0 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.0 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C25 120.0 . . ?
C29 C30 H30 120.0 . . ?
C25 C30 H30 120.0 . . ?
C36 C31 C32 117.1(17) . . ?
C36 C31 P3 120.0(16) . . ?
C32 C31 P3 122.7(13) . . ?
C33 C32 C31 118.6(18) . . ?
C33 C32 H32 120.7 . . ?
C31 C32 H32 120.7 . . ?
C32 C33 C34 123(2) . . ?
C32 C33 H33 118.7 . . ?
C34 C33 H33 118.7 . . ?
C35 C34 C33 115.8(19) . . ?
C35 C34 H34 122.1 . . ?
C33 C34 H34 122.1 . . ?
C34 C35 C36 125(2) . . ?
C34 C35 H35 117.6 . . ?
C36 C35 H35 117.6 . . ?
C35 C36 C31 121(2) . . ?
C35 C36 H36 119.6 . . ?
C31 C36 H36 119.6 . . ?
C42 C37 C38 116.2(15) . . ?
C42 C37 P3 124.3(13) . . ?
C38 C37 P3 119.5(12) . . ?
C39 C38 C37 122.0(15) . . ?
C39 C38 H38 119.0 . . ?
C37 C38 H38 119.0 . . ?
C40 C39 C38 118.9(15) . . ?
C40 C39 H39 120.6 . . ?
C38 C39 H39 120.6 . . ?
C41 C40 C39 119.8(15) . . ?
C41 C40 C128 121.1(15) . . ?
C39 C40 C128 118.9(15) . . ?
C40 C41 C42 121.6(15) . . ?
C40 C41 H41 119.2 . . ?
C42 C41 H41 119.2 . . ?
C41 C42 C37 121.5(15) . . ?
C41 C42 H42 119.3 . . ?
C37 C42 H42 119.3 . . ?
C48 C43 C44 119.9(17) . . ?
C48 C43 P4 120.3(14) . . ?
C44 C43 P4 119.4(13) . . ?
C45 C44 C43 120(2) . . ?
C45 C44 H44 120.1 . . ?
C43 C44 H44 120.1 . . ?
C44 C45 C46 126(2) . . ?
C44 C45 H45 117.2 . . ?
C46 C45 H45 117.2 . . ?
C47 C46 C45 114(2) . . ?
C47 C46 H46 123.0 . . ?
C45 C46 H46 123.0 . . ?
C46 C47 C48 118(2) . . ?
C46 C47 H47 121.1 . . ?
C48 C47 H47 121.1 . . ?
C43 C48 C47 122.5(18) . . ?
C43 C48 H48 118.8 . . ?
C47 C48 H48 118.8 . . ?
C54 C49 C50 120.4(17) . . ?
C54 C49 P4 123.7(14) . . ?
C50 C49 P4 115.8(13) . . ?
C49 C50 C51 122(2) . . ?
C49 C50 H50 118.8 . . ?
C51 C50 H50 118.8 . . ?
C50 C51 C52 114(2) . . ?
C50 C51 H51 123.2 . . ?
C52 C51 H51 123.2 . . ?
C53 C52 C51 121(2) . . ?
C53 C52 H52 119.5 . . ?
C51 C52 H52 119.5 . . ?
C54 C53 C52 122(2) . . ?
C54 C53 H53 119.0 . . ?
C52 C53 H53 119.0 . . ?
C53 C54 C49 121(2) . . ?
C53 C54 H54 119.7 . . ?
C49 C54 H54 119.7 . . ?
C60 C55 C56 117.9(14) . . ?
C60 C55 P4 122.0(12) . . ?
C56 C55 P4 120.1(12) . . ?
C57 C56 C55 121.9(15) . . ?
C57 C56 H56 119.0 . . ?
C55 C56 H56 119.0 . . ?
C56 C57 C58 119.1(16) . . ?
C56 C57 H57 120.5 . . ?
C58 C57 H57 120.5 . . ?
C59 C58 C57 120.2(15) . . ?
C59 C58 C61 121.3(15) . . ?
C57 C58 C61 118.5(14) . . ?
C58 C59 C60 120.7(16) . . ?
C58 C59 H59 119.6 . . ?
C60 C59 H59 119.6 . . ?
C55 C60 C59 120.1(15) . . ?
C55 C60 H60 119.9 . . ?
C59 C60 H60 119.9 . . ?
C125 C61 C68 119.1(15) 2_655 . ?
C125 C61 C58 122.4(14) 2_655 . ?
C68 C61 C58 117.9(14) . . ?
C67 C62 C63 117.7(17) . . ?
C67 C62 P2 120.0(14) . . ?
C63 C62 P2 122.2(13) . . ?
C62 C63 C64 120.0(18) . . ?
C62 C63 H63 120.0 . . ?
C64 C63 H63 120.0 . . ?
C65 C64 C63 120(2) . . ?
C65 C64 H64 120.1 . . ?
C63 C64 H64 120.1 . . ?
C64 C65 C66 118.1(17) . . ?
C64 C65 C69 121(2) . . ?
C66 C65 C69 120.3(17) . . ?
C67 C66 C65 118.4(18) . . ?
C67 C66 H66 120.8 . . ?
C65 C66 H66 120.8 . . ?
C62 C67 C66 125.4(19) . . ?
C62 C67 H67 117.3 . . ?
C66 C67 H67 117.3 . . ?
C128 C68 C61 121.7(15) . . ?
C128 C68 H68 119.2 . . ?
C61 C68 H68 119.2 . . ?
C70 C69 C74 118.0(17) . . ?
C70 C69 C65 117.7(18) . . ?
C74 C69 C65 124.2(17) . . ?
C69 C70 C71 124.4(18) . . ?
C69 C70 H70 117.8 . . ?
C71 C70 H70 117.8 . . ?
C70 C71 C72 115.1(17) . . ?
C70 C71 C108 125.3(16) . . ?
C72 C71 C108 119.6(16) . . ?
C71 C72 C73 123.3(17) . . ?
C71 C72 H72 118.3 . . ?
C73 C72 H72 118.3 . . ?
C74 C73 C72 116.0(17) . . ?
C74 C73 C111 126.8(18) . . ?
C72 C73 C111 117.1(17) . . ?
C73 C74 C69 122.6(17) . . ?
C73 C74 H74 118.7 . . ?
C69 C74 H74 118.7 . . ?
C80 C75 C76 117(2) . . ?
C80 C75 P5 119.1(17) . . ?
C76 C75 P5 123.5(16) . . ?
C77 C76 C75 121(2) . . ?
C77 C76 H76 119.2 . . ?
C75 C76 H76 119.3 . . ?
C78 C77 C76 121(2) . . ?
C78 C77 H77 119.3 . . ?
C76 C77 H77 119.3 . . ?
C77 C78 C79 118(2) . . ?
C77 C78 H78 121.0 . . ?
C79 C78 H78 121.0 . . ?
C80 C79 C78 123(2) . . ?
C80 C79 H79 118.7 . . ?
C78 C79 H79 118.7 . . ?
C79 C80 C75 119(2) . . ?
C79 C80 H80 120.5 . . ?
C75 C80 H80 120.5 . . ?
C86 C81 C82 120.0 . . ?
C86 C81 P5 116.8(10) . . ?
C82 C81 P5 123.2(10) . . ?
C85 C86 C81 120.0 . . ?
C85 C86 H86 120.0 . . ?
C81 C86 H86 120.0 . . ?
C86 C85 C84 120.0 . . ?
C86 C85 H85 120.0 . . ?
C84 C85 H85 120.0 . . ?
C85 C84 C83 120.0 . . ?
C85 C84 H84 120.0 . . ?
C83 C84 H84 120.0 . . ?
C82 C83 C84 120.0 . . ?
C82 C83 H83 120.0 . . ?
C84 C83 H83 120.0 . . ?
C83 C82 C81 120.0 . . ?
C83 C82 H82 120.0 . . ?
C81 C82 H82 120.0 . . ?
C92 C87 C88 116.1(15) . . ?
C92 C87 P5 117.8(12) . . ?
C88 C87 P5 125.6(12) . . ?
C89 C88 C87 123.8(17) . . ?
C89 C88 H88 118.1 . . ?
C87 C88 H88 118.1 . . ?
C88 C89 C90 119.5(17) . . ?
C88 C89 H89 120.3 . . ?
C90 C89 H89 120.3 . . ?
C91 C90 C89 117.3(15) . . ?
C91 C90 C127 119.3(16) . . ?
C89 C90 C127 123.0(15) . . ?
C92 C91 C90 119.0(16) . . ?
C92 C91 H91 120.5 . . ?
C90 C91 H91 120.5 . . ?
C87 C92 C91 123.9(16) . . ?
C87 C92 H92 118.1 . . ?
C91 C92 H92 118.1 . . ?
C94 C93 C98 120.0 . . ?
C94 C93 P6 123.0(10) . . ?
C98 C93 P6 117.0(10) . . ?
C93 C94 C95 120.0 . . ?
C93 C94 H94 120.0 . . ?
C95 C94 H94 120.0 . . ?
C96 C95 C94 120.0 . . ?
C96 C95 H95 120.0 . . ?
C94 C95 H95 120.0 . . ?
C95 C96 C97 120.0 . . ?
C95 C96 H96 120.0 . . ?
C97 C96 H96 120.0 . . ?
C98 C97 C96 120.0 . . ?
C98 C97 H97 120.0 . . ?
C96 C97 H97 120.0 . . ?
C97 C98 C93 120.0 . . ?
C97 C98 H98 120.0 . . ?
C93 C98 H98 120.0 . . ?
C100 C99 C104 121(2) . . ?
C100 C99 P6 122(2) . . ?
C104 C99 P6 116.7(18) . . ?
C99 C100 C101 118(2) . . ?
C99 C100 H100 121.0 . . ?
C101 C100 H100 121.0 . . ?
C102 C101 C100 119(2) . . ?
C102 C101 H101 120.3 . . ?
C100 C101 H101 120.3 . . ?
C103 C102 C101 123(2) . . ?
C103 C102 H102 118.4 . . ?
C101 C102 H102 118.4 . . ?
C102 C103 C104 118(2) . . ?
C102 C103 H103 121.2 . . ?
C104 C103 H103 121.2 . . ?
C103 C104 C99 120(2) . . ?
C103 C104 H104 120.0 . . ?
C99 C104 H104 120.0 . . ?
C106 C105 C110 120.4(17) . . ?
C106 C105 P6 122.7(15) . . ?
C110 C105 P6 116.9(14) . . ?
C107 C106 C105 122.2(19) . . ?
C107 C106 H106 118.9 . . ?
C105 C106 H106 118.9 . . ?
C106 C107 C108 119.1(19) . . ?
C106 C107 H107 120.5 . . ?
C108 C107 H107 120.5 . . ?
C109 C108 C107 119.0(18) . . ?
C109 C108 C71 120.7(16) . . ?
C107 C108 C71 120.3(17) . . ?
C108 C109 C110 122.7(17) . . ?
C108 C109 H109 118.6 . . ?
C110 C109 H109 118.6 . . ?
C109 C110 C105 116.6(16) . . ?
C109 C110 H110 121.7 . . ?
C105 C110 H110 121.7 . . ?
C113 C112 C111 120.0 . . ?
C113 C112 H112 120.0 . . ?
C111 C112 H112 120.0 . . ?
C112 C113 C114 120.0 . . ?
C112 C113 H113 120.0 . . ?
C114 C113 H113 120.0 . . ?
C115 C114 C113 120.0 . . ?
C115 C114 P1 123.4(8) . . ?
C113 C114 P1 116.6(8) . . ?
C116 C115 C114 120.0 . . ?
C116 C115 H115 120.0 . . ?
C114 C115 H115 120.0 . . ?
C115 C116 C111 120.0 . . ?
C115 C116 H116 120.0 . . ?
C111 C116 H116 120.0 . . ?
C116 C111 C112 120.0 . . ?
C116 C111 C73 122.2(11) . . ?
C112 C111 C73 117.7(11) . . ?
N2 C117 C118 114.0(16) . . ?
N2 C117 C120 110.2(17) . . ?
C118 C117 C120 108.5(19) . . ?
N2 C117 C119 106.8(15) . . ?
C118 C117 C119 107.6(19) . . ?
C120 C117 C119 109.6(16) . . ?
C117 C118 H11A 109.5 . . ?
C117 C118 H11B 109.5 . . ?
H11A C118 H11B 109.5 . . ?
C117 C118 H11C 109.5 . . ?
H11A C118 H11C 109.5 . . ?
H11B C118 H11C 109.5 . . ?
C117 C119 H11D 109.5 . . ?
C117 C119 H11E 109.5 . . ?
H11D C119 H11E 109.5 . . ?
C117 C119 H11F 109.5 . . ?
H11D C119 H11F 109.5 . . ?
H11E C119 H11F 109.5 . . ?
C117 C120 H12A 109.5 . . ?
C117 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C117 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C122 C121 N1 109.2(14) . . ?
C122 C121 C123 111.5(17) . . ?
N1 C121 C123 105.1(13) . . ?
C122 C121 C124 111.6(15) . . ?
N1 C121 C124 108.2(15) . . ?
C123 C121 C124 111.1(16) . . ?
C121 C122 H12D 109.5 . . ?
C121 C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
C121 C122 H12F 109.5 . . ?
H12D C122 H12F 109.5 . . ?
H12E C122 H12F 109.5 . . ?
C121 C123 H12G 109.5 . . ?
C121 C123 H12H 109.5 . . ?
H12G C123 H12H 109.5 . . ?
C121 C123 H12I 109.5 . . ?
H12G C123 H12I 109.5 . . ?
H12H C123 H12I 109.5 . . ?
C121 C124 H12J 109.5 . . ?
C121 C124 H12K 109.5 . . ?
H12J C124 H12K 109.5 . . ?
C121 C124 H12L 109.5 . . ?
H12J C124 H12L 109.5 . . ?
H12K C124 H12L 109.5 . . ?
C61 C125 C127 120.0(15) 2_655 . ?
C61 C125 H125 120.0 2_655 . ?
C127 C125 H125 120.0 . . ?
C128 C126 C127 122.0(16) 2_655 . ?
C128 C126 H126 119.0 2_655 . ?
C127 C126 H126 119.0 . . ?
C126 C127 C125 118.5(14) . . ?
C126 C127 C90 118.3(15) . . ?
C125 C127 C90 123.2(14) . . ?
C68 C128 C126 118.7(15) . 2_655 ?
C68 C128 C40 122.2(14) . . ?
C126 C128 C40 119.2(15) 2_655 . ?
F1 P7 F4 97.8(9) . 2_656 ?
F1 P7 F4 97.8(9) . . ?
F4 P7 F4 164.3(18) 2_656 . ?
F1 P7 F2 180.000(7) . . ?
F4 P7 F2 82.2(9) 2_656 . ?
F4 P7 F2 82.2(9) . . ?
F1 P7 F3 89.6(9) . 2_656 ?
F4 P7 F3 90.0(8) 2_656 2_656 ?
F4 P7 F3 90.1(8) . 2_656 ?
F2 P7 F3 90.4(9) . 2_656 ?
F1 P7 F3 89.6(9) . . ?
F4 P7 F3 90.1(8) 2_656 . ?
F4 P7 F3 90.0(8) . . ?
F2 P7 F3 90.4(9) . . ?
F3 P7 F3 179.2(17) 2_656 . ?
F5 P8 F8 83.3(15) . . ?
F5 P8 F7 90.7(10) . . ?
F8 P8 F7 91.2(14) . . ?
F5 P8 F6 97.9(16) . . ?
F8 P8 F6 177.7(16) . . ?
F7 P8 F6 90.8(14) . . ?
F5 P8 F10 178.2(13) . . ?
F8 P8 F10 96.1(15) . . ?
F7 P8 F10 91.0(9) . . ?
F6 P8 F10 82.6(14) . . ?
F5 P8 F9 98.4(13) . . ?
F8 P8 F9 89.9(14) . . ?
F7 P8 F9 170.9(13) . . ?
F6 P8 F9 88.0(14) . . ?
F10 P8 F9 79.9(9) . . ?
F12 P9 F15 83.8(19) . . ?
F12 P9 F16 176(2) . . ?
F15 P9 F16 92.5(13) . . ?
F12 P9 F13 92.2(13) . . ?
F15 P9 F13 174(2) . . ?
F16 P9 F13 91.7(19) . . ?
F12 P9 F11 91.3(11) . . ?
F15 P9 F11 96(2) . . ?
F16 P9 F11 90.3(10) . . ?
F13 P9 F11 79(2) . . ?
F12 P9 F14 89.6(10) . . ?
F15 P9 F14 92(2) . . ?
F16 P9 F14 89.4(10) . . ?
F13 P9 F14 93(2) . . ?
F11 P9 F14 171(2) . . ?
Cl1 C129 Cl2 115.5(14) . . ?
Cl1 C129 H12M 108.4 . . ?
Cl2 C129 H12M 108.4 . . ?
Cl1 C129 H12N 108.4 . . ?
Cl2 C129 H12N 108.4 . . ?
H12M C129 H12N 107.5 . . ?
Cl4 C130 Cl3 99(6) . . ?
Cl4 C130 H13C 111.9 . . ?
Cl3 C130 H13C 111.9 . . ?
Cl4 C130 H13D 111.9 . . ?
Cl3 C130 H13D 111.9 . . ?
H13C C130 H13D 109.6 . . ?
Cl5 C131 Cl6 114.2(18) . . ?
Cl5 C131 H13E 108.7 . . ?
Cl6 C131 H13E 108.7 . . ?
Cl5 C131 H13F 108.7 . . ?
Cl6 C131 H13F 108.7 . . ?
H13E C131 H13F 107.6 . . ?
Cl7 C132 Cl7 152(9) . 2_655 ?
Cl7 C132 H13G 98.7 . . ?
Cl7 C132 H13G 98.7 2_655 . ?
Cl7 C132 H13H 98.7 . . ?
Cl7 C132 H13H 98.7 2_655 . ?
H13G C132 H13H 103.9 . . ?
Cl9 Cl8 C134 70(2) 2_655 . ?
Cl9 Cl8 C133 69(2) 2_655 . ?
C134 Cl8 C133 54(4) . . ?
Cl8 Cl9 C133 70(2) 2_655 . ?
Cl8 Cl9 C134 69(2) 2_655 . ?
C133 Cl9 C134 54(4) . . ?
Cl9 C133 Cl9 126(4) 2_655 . ?
Cl9 C133 Cl8 109.3(18) 2_655 2_655 ?
Cl9 C133 Cl8 41(4) . 2_655 ?
Cl9 C133 Cl8 41(4) 2_655 . ?
Cl9 C133 Cl8 109.3(18) . . ?
Cl8 C133 Cl8 125(4) 2_655 . ?
Cl8 C134 Cl8 127(4) . 2_655 ?
Cl8 C134 Cl9 109.5(18) . . ?
Cl8 C134 Cl9 41(4) 2_655 . ?
Cl8 C134 Cl9 41(4) . 2_655 ?
Cl8 C134 Cl9 109.5(18) 2_655 2_655 ?
Cl9 C134 Cl9 125(4) . 2_655 ?
Cl10 C135 Cl11 111.1(18) . . ?
Cl10 C135 H13A 109.4 . . ?
Cl11 C135 H13A 109.4 . . ?
Cl10 C135 H13B 109.4 . . ?
Cl11 C135 H13B 109.4 . . ?
H13A C135 H13B 108.0 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         3.261
_refine_diff_density_min         -2.077
_refine_diff_density_rms         0.240
_database_code_depnum_ccdc_archive 'CCDC 952114'
