#------------------------------------------------------------------------------
#$Date: 2019-05-27 10:42:07 +0300 (Mon, 27 May 2019) $
#$Revision: 215549 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/11/1551160.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1551160
loop_
_publ_author_name
'Mina R. Narouz'
'Kimberly M. Osten'
'Phillip J. Unsworth'
'Renee W. Y. Man'
'Kirsi Salorinne'
'Shinjiro Takano'
'Ryohei Tomihara'
'Sami Kaappa'
'Sami Malola'
'Cao-Thang Dinh'
'J. Daniel Padmos'
'Kennedy Ayoo'
'Patrick J. Garrett'
'Masakazu Nambo'
'J. Hugh Horton'
'Edward H. Sargent'
'Hannu Hakkinen'
'Tatsuya Tsukuda'
'Cathleen M. Crudden'
_publ_section_title
;
 N-heterocyclic carbene-functionalized magic-number gold nanoclusters
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              419
_journal_page_last               425
_journal_paper_doi               10.1038/s41557-019-0246-5
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C142 H129 Au11 Cl9 N2 P7'
_chemical_formula_weight         4565.94
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                107.097(8)
_cell_angle_beta                 95.666(8)
_cell_angle_gamma                92.215(7)
_cell_formula_units_Z            2
_cell_length_a                   16.321(3)
_cell_length_b                   16.896(3)
_cell_length_c                   27.357(3)
_cell_measurement_reflns_used    20653
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      2.1
_cell_volume                     7157(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku AFC11 with Saturn724+'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0669
_diffrn_reflns_av_unetI/netI     0.0662
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            96439
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.364
_diffrn_reflns_theta_min         2.055
_diffrn_source                   'Rotating anode'
_exptl_absorpt_coefficient_mu    11.519
_exptl_absorpt_correction_T_max  0.455
_exptl_absorpt_correction_T_min  0.317
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS(Rigaku, 1999)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    2.119
_exptl_crystal_description       Block
_exptl_crystal_F_000             4244
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         5.597
_refine_diff_density_min         -5.819
_refine_diff_density_rms         0.273
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1329
_refine_ls_number_reflns         25999
_refine_ls_number_restraints     974
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0749
_refine_ls_R_factor_gt           0.0679
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0752P)²+105.7064P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1727
_refine_ls_wR_factor_ref         0.1785
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                22956
_reflns_number_total             25999
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            41557_2019_246_MOESM14_ESM.cif
_cod_data_source_block           shelxs_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.5 from 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6524 2018-11-02 12:15:13Z antanas 
;
_cod_database_code               1551160
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.77624(3) 0.92522(3) 0.24227(2) 0.02942(12) Uani 1 1 d . . . . .
Au2 Au 0.66363(3) 0.99841(4) 0.30355(2) 0.03888(14) Uani 1 1 d . . . . .
Au3 Au 0.61648(3) 0.87775(3) 0.20338(2) 0.03448(13) Uani 1 1 d . . . . .
Au4 Au 0.69148(5) 0.82383(4) 0.28493(2) 0.0535(3) Uani 0.988(3) 1 d . . . A .
Au5 Au 0.82633(3) 0.94464(4) 0.34177(2) 0.03610(13) Uani 1 1 d . . . . .
Au6 Au 0.81632(3) 1.08541(3) 0.29823(2) 0.03922(14) Uani 1 1 d . . . . .
Au7 Au 0.70012(3) 1.03095(3) 0.20112(2) 0.03295(13) Uani 1 1 d . . . . .
Au8 Au 0.75485(3) 0.79226(3) 0.15993(2) 0.03588(13) Uani 1 1 d . . . . .
Au9A Au 0.8525(3) 0.79762(11) 0.25919(10) 0.0315(7) Uani 0.725(19) 1 d . . P A
.
Au9B Au 0.8781(8) 0.8047(4) 0.2483(5) 0.0440(17) Uani 0.275(19) 1 d . . P A 1
Au10 Au 0.93893(3) 0.96280(4) 0.26453(2) 0.03754(14) Uani 1 1 d . . . . .
Au11 Au 0.84853(3) 0.95381(4) 0.16632(2) 0.03486(13) Uani 1 1 d . . . . .
Cl1 Cl 0.4785(2) 0.8339(3) 0.16607(16) 0.0544(10) Uani 1 1 d . . . . .
Cl2 Cl 0.8739(2) 0.9513(3) 0.42698(13) 0.0526(10) Uani 1 1 d . . . . .
P1 P 0.5706(2) 1.0563(3) 0.35858(14) 0.0468(10) Uani 1 1 d . . . . .
P3 P 0.8624(3) 1.2164(3) 0.34962(17) 0.0536(11) Uani 1 1 d . . . . .
P4 P 0.6258(2) 1.1110(2) 0.16129(15) 0.0394(8) Uani 1 1 d . . . . .
P5 P 0.7238(3) 0.6851(2) 0.08558(14) 0.0423(9) Uani 1 1 d . . . . .
P6 P 0.9163(4) 0.6883(3) 0.27468(19) 0.0626(12) Uani 1 1 d . . . . .
P7 P 1.0785(2) 0.9944(3) 0.28323(14) 0.0456(10) Uani 1 1 d . . . . .
P8 P 0.9080(2) 0.9758(3) 0.09898(13) 0.0368(8) Uani 1 1 d . . . . .
C1A C 0.4988(6) 1.1200(7) 0.3360(4) 0.053(4) Uani 1 1 d G . . . .
C1B C 0.5309(5) 1.1757(8) 0.3130(4) 0.055(4) Uani 1 1 d G . . . .
H1B H 0.587928 1.177721 0.308758 0.066 Uiso 1 1 calc R U . . .
C1C C 0.4795(8) 1.2286(7) 0.2963(5) 0.075(6) Uani 1 1 d G . . . .
H1C H 0.501454 1.266680 0.280582 0.090 Uiso 1 1 calc R U . . .
C1D C 0.3961(7) 1.2257(9) 0.3025(6) 0.083(7) Uani 1 1 d G . . . .
H1D H 0.360982 1.261781 0.291103 0.100 Uiso 1 1 calc R U . . .
C1E C 0.3640(5) 1.1699(11) 0.3255(7) 0.123(12) Uani 1 1 d G . . . .
H1E H 0.306982 1.167922 0.329800 0.148 Uiso 1 1 calc R U . . .
C1F C 0.4154(7) 1.1171(9) 0.3423(6) 0.083(7) Uani 1 1 d G . . . .
H1F H 0.393455 1.078962 0.357977 0.100 Uiso 1 1 calc R U . . .
C1G C 0.6192(7) 1.1202(7) 0.4203(3) 0.054(4) Uani 1 1 d G . . . .
C1H C 0.6887(7) 1.0928(7) 0.4422(4) 0.059(5) Uani 1 1 d G . . . .
H1H H 0.709273 1.041496 0.424722 0.071 Uiso 1 1 calc R U . . .
C1I C 0.7282(7) 1.1404(10) 0.4897(4) 0.079(7) Uani 1 1 d G . . . .
H1I H 0.775730 1.121625 0.504732 0.095 Uiso 1 1 calc R U . . .
C1J C 0.6982(9) 1.2154(9) 0.5153(3) 0.084(7) Uani 1 1 d G . . . .
H1J H 0.725178 1.247969 0.547813 0.101 Uiso 1 1 calc R U . . .
C1K C 0.6287(10) 1.2429(7) 0.4934(5) 0.104(9) Uani 1 1 d G . . . .
H1K H 0.608170 1.294187 0.510883 0.125 Uiso 1 1 calc R U . . .
C1L C 0.5892(8) 1.1953(8) 0.4459(5) 0.078(6) Uani 1 1 d G . . . .
H1L H 0.541712 1.214060 0.430872 0.094 Uiso 1 1 calc R U . . .
C1M C 0.5059(7) 0.9803(7) 0.3741(4) 0.054(4) Uani 1 1 d G . . . .
C1N C 0.4798(8) 0.9954(8) 0.4226(4) 0.073(6) Uani 1 1 d G . . . .
H1N H 0.498636 1.045204 0.449001 0.087 Uiso 1 1 calc R U . . .
C1O C 0.4263(8) 0.9375(11) 0.4327(4) 0.098(8) Uani 1 1 d G . . . .
H1O H 0.408498 0.947858 0.465866 0.117 Uiso 1 1 calc R U . . .
C1P C 0.3988(8) 0.8646(9) 0.3941(6) 0.100(9) Uani 1 1 d G . . . .
H1P H 0.362191 0.825081 0.400957 0.120 Uiso 1 1 calc R U . . .
C1Q C 0.4248(8) 0.8495(7) 0.3455(5) 0.094(8) Uani 1 1 d G . . . .
H1Q H 0.406023 0.799649 0.319181 0.113 Uiso 1 1 calc R U . . .
C1R C 0.4784(7) 0.9073(8) 0.3355(4) 0.065(5) Uani 1 1 d G . . . .
H1R H 0.496163 0.896994 0.302315 0.078 Uiso 1 1 calc R U . . .
C2A C 0.6252(9) 0.7458(10) 0.3162(5) 0.088(5) Uani 1 1 d D U . . .
N2AA N 0.6328(13) 0.7527(12) 0.3687(6) 0.070(5) Uani 0.67(3) 1 d D U P A 1
N2BA N 0.5744(13) 0.6768(12) 0.2847(7) 0.075(5) Uani 0.67(3) 1 d D U P A 1
C2BA C 0.5838(15) 0.6831(13) 0.3702(10) 0.089(6) Uani 0.67(3) 1 d DG U P A 1
C2CA C 0.5712(16) 0.6539(15) 0.4116(8) 0.094(7) Uani 0.67(3) 1 d G U P A 1
H2CA H 0.597248 0.682956 0.445056 0.113 Uiso 0.67(3) 1 calc R U P A 1
C2DA C 0.5205(18) 0.5824(17) 0.4040(8) 0.096(8) Uani 0.67(3) 1 d G U P A 1
H2DA H 0.511833 0.562471 0.432273 0.115 Uiso 0.67(3) 1 calc R U P A 1
C2EA C 0.4824(19) 0.5399(16) 0.3550(9) 0.102(8) Uani 0.67(3) 1 d G U P A 1
H2EA H 0.447686 0.491022 0.349827 0.122 Uiso 0.67(3) 1 calc R U P A 1
C2FA C 0.4950(18) 0.5691(17) 0.3136(7) 0.094(7) Uani 0.67(3) 1 d G U P A 1
H2FA H 0.468952 0.540056 0.280163 0.112 Uiso 0.67(3) 1 calc R U P A 1
C2GA C 0.5457(16) 0.6406(16) 0.3212(9) 0.085(6) Uani 0.67(3) 1 d DG U P A 1
N2AB N 0.629(2) 0.7474(18) 0.3688(7) 0.076(6) Uani 0.33(3) 1 d D U P A 3
N2BB N 0.5562(19) 0.689(2) 0.2912(10) 0.077(7) Uani 0.33(3) 1 d D U P A 3
C2BB C 0.565(2) 0.6921(19) 0.374(2) 0.088(6) Uani 0.33(3) 1 d DG U P A 3
C2CB C 0.545(3) 0.6720(18) 0.4177(17) 0.099(8) Uani 0.33(3) 1 d G U P A 3
H2CB H 0.576721 0.696195 0.450051 0.119 Uiso 0.33(3) 1 calc R U P A 3
C2DB C 0.477(3) 0.617(3) 0.4137(13) 0.103(9) Uani 0.33(3) 1 d G U P A 3
H2DB H 0.463385 0.602889 0.443242 0.123 Uiso 0.33(3) 1 calc R U P A 3
C2EB C 0.430(3) 0.581(3) 0.3664(14) 0.105(9) Uani 0.33(3) 1 d G U P A 3
H2EB H 0.384453 0.543348 0.363599 0.126 Uiso 0.33(3) 1 calc R U P A 3
C2FB C 0.451(4) 0.601(3) 0.3231(14) 0.097(8) Uani 0.33(3) 1 d G U P A 3
H2FB H 0.418855 0.577114 0.290762 0.116 Uiso 0.33(3) 1 calc R U P A 3
C2GB C 0.518(3) 0.657(2) 0.3271(17) 0.088(7) Uani 0.33(3) 1 d DG U P A 3
C2H C 0.6814(10) 0.8138(12) 0.4081(6) 0.065(4) Uani 1 1 d D . . . .
H2H H 0.706056 0.854833 0.392744 0.078 Uiso 1 1 calc R U . A 1
C2I C 0.6355(12) 0.8609(12) 0.4525(7) 0.075(5) Uani 1 1 d D . . . .
H2I1 H 0.673860 0.902065 0.478038 0.112 Uiso 1 1 calc R U . . .
H2I2 H 0.590889 0.889006 0.439311 0.112 Uiso 1 1 calc R U . . .
H2I3 H 0.612111 0.821716 0.468521 0.112 Uiso 1 1 calc R U . . .
C2J C 0.7522(11) 0.7710(13) 0.4295(8) 0.076(5) Uani 1 1 d D . . . .
H2J1 H 0.787262 0.812283 0.457136 0.114 Uiso 1 1 calc R U . . .
H2J2 H 0.728996 0.728469 0.443074 0.114 Uiso 1 1 calc R U . . .
H2J3 H 0.785252 0.744871 0.401837 0.114 Uiso 1 1 calc R U . . .
C2K C 0.5370(10) 0.6688(11) 0.2356(7) 0.068(4) Uani 1 1 d D . . . .
H2K H 0.565266 0.711124 0.222817 0.081 Uiso 1 1 calc R U . A 1
C2L C 0.5624(17) 0.5830(13) 0.2056(9) 0.109(8) Uani 1 1 d D . . . .
H2L1 H 0.539351 0.569651 0.169397 0.164 Uiso 1 1 calc R U . . .
H2L2 H 0.622742 0.583700 0.207856 0.164 Uiso 1 1 calc R U . . .
H2L3 H 0.541301 0.541057 0.220294 0.164 Uiso 1 1 calc R U . . .
C2M C 0.4454(10) 0.6675(17) 0.2201(8) 0.102(8) Uani 1 1 d D . . . .
H2M1 H 0.435373 0.661234 0.183173 0.152 Uiso 1 1 calc R U . . .
H2M2 H 0.416907 0.620835 0.227385 0.152 Uiso 1 1 calc R U . . .
H2M3 H 0.424402 0.719628 0.239600 0.152 Uiso 1 1 calc R U . . .
C3A C 0.9155(7) 1.2804(6) 0.3178(4) 0.051(4) Uani 1 1 d G . . . .
C3B C 0.9506(7) 1.2409(5) 0.2735(4) 0.050(3) Uani 1 1 d G . . . .
H3B H 0.943708 1.182208 0.259468 0.061 Uiso 1 1 calc R U . . .
C3C C 0.9959(6) 1.2873(7) 0.2498(3) 0.058(4) Uani 1 1 d G . . . .
H3C H 1.019978 1.260333 0.219526 0.069 Uiso 1 1 calc R U . . .
C3D C 1.0061(7) 1.3732(7) 0.2703(4) 0.064(4) Uani 1 1 d G . . . .
H3D H 1.037057 1.404901 0.254094 0.076 Uiso 1 1 calc R U . . .
C3E C 0.9709(8) 1.4127(5) 0.3146(5) 0.076(6) Uani 1 1 d G . . . .
H3E H 0.977868 1.471345 0.328604 0.091 Uiso 1 1 calc R U . . .
C3F C 0.9256(8) 1.3662(6) 0.3383(4) 0.078(7) Uani 1 1 d G . . . .
H3F H 0.901596 1.393221 0.368547 0.093 Uiso 1 1 calc R U . . .
C3G C 0.7855(8) 1.2852(7) 0.3780(5) 0.064(4) Uani 1 1 d G . . . .
C3H C 0.7924(9) 1.3273(9) 0.4303(5) 0.088(6) Uani 1 1 d G . . . .
H3H H 0.836188 1.317541 0.452867 0.106 Uiso 1 1 calc R U . . .
C3I C 0.7351(11) 1.3838(9) 0.4496(4) 0.119(9) Uani 1 1 d G . . . .
H3I H 0.739823 1.412596 0.485374 0.142 Uiso 1 1 calc R U . . .
C3J C 0.6710(9) 1.3982(8) 0.4166(6) 0.090(6) Uani 1 1 d G . . . .
H3J H 0.631879 1.436751 0.429771 0.108 Uiso 1 1 calc R U . . .
C3K C 0.6641(8) 1.3560(9) 0.3642(5) 0.090(6) Uani 1 1 d G . . . .
H3K H 0.620300 1.365851 0.341661 0.108 Uiso 1 1 calc R U . . .
C3L C 0.7214(8) 1.2996(8) 0.3449(4) 0.074(5) Uani 1 1 d G . . . .
H3L H 0.716665 1.270795 0.309152 0.089 Uiso 1 1 calc R U . . .
C3M C 0.9343(8) 1.2149(8) 0.4044(4) 0.065(5) Uani 1 1 d G . . . .
C3N C 0.9089(7) 1.1662(8) 0.4339(5) 0.064(5) Uani 1 1 d G . . . .
H3N H 0.858513 1.132640 0.423485 0.077 Uiso 1 1 calc R U . . .
C3O C 0.9574(9) 1.1666(9) 0.4787(5) 0.088(7) Uani 1 1 d G . . . .
H3O H 0.940076 1.133313 0.498940 0.105 Uiso 1 1 calc R U . . .
C3P C 1.0312(9) 1.2157(10) 0.4940(5) 0.107(8) Uani 1 1 d G . . . .
H3P H 1.064292 1.215928 0.524632 0.129 Uiso 1 1 calc R U . . .
C3Q C 1.0565(8) 1.2643(10) 0.4644(6) 0.130(12) Uani 1 1 d G . . . .
H3Q H 1.106946 1.297871 0.474869 0.156 Uiso 1 1 calc R U . . .
C3R C 1.0081(9) 1.2639(9) 0.4196(5) 0.093(7) Uani 1 1 d G . . . .
H3R H 1.025384 1.297199 0.399414 0.111 Uiso 1 1 calc R U . . .
C4A C 0.6334(7) 1.0913(7) 0.0922(3) 0.047(4) Uani 1 1 d G . . . .
C4B C 0.6034(7) 1.0134(6) 0.0600(4) 0.060(5) Uani 1 1 d G . . . .
H4B H 0.583660 0.972308 0.074178 0.071 Uiso 1 1 calc R U . . .
C4C C 0.6022(8) 0.9955(7) 0.0069(4) 0.073(6) Uani 1 1 d G . . . .
H4C H 0.581693 0.942284 -0.015079 0.088 Uiso 1 1 calc R U . . .
C4D C 0.6310(8) 1.0556(10) -0.0139(3) 0.076(7) Uani 1 1 d G . . . .
H4D H 0.630240 1.043425 -0.050121 0.091 Uiso 1 1 calc R U . . .
C4E C 0.6610(7) 1.1335(9) 0.0183(5) 0.085(8) Uani 1 1 d G . . . .
H4E H 0.680755 1.174591 0.004094 0.103 Uiso 1 1 calc R U . . .
C4F C 0.6622(7) 1.1514(7) 0.0713(5) 0.062(5) Uani 1 1 d G . . . .
H4F H 0.682723 1.204617 0.093352 0.075 Uiso 1 1 calc R U . . .
C4G C 0.5148(5) 1.0964(7) 0.1644(4) 0.044(4) Uani 1 1 d G . . . .
C4H C 0.4872(6) 1.0510(7) 0.1953(4) 0.054(4) Uani 1 1 d G . . . .
H4H H 0.525707 1.027264 0.214200 0.064 Uiso 1 1 calc R U . . .
C4I C 0.4032(6) 1.0403(8) 0.1984(5) 0.078(6) Uani 1 1 d G . . . .
H4I H 0.384310 1.009268 0.219447 0.094 Uiso 1 1 calc R U . . .
C4J C 0.3468(4) 1.0750(9) 0.1706(5) 0.078(7) Uani 1 1 d G . . . .
H4J H 0.289361 1.067707 0.172774 0.093 Uiso 1 1 calc R U . . .
C4K C 0.3744(6) 1.1204(9) 0.1398(5) 0.094(9) Uani 1 1 d G . . . .
H4K H 0.335808 1.144144 0.120853 0.113 Uiso 1 1 calc R U . . .
C4L C 0.4583(7) 1.1311(8) 0.1367(4) 0.080(7) Uani 1 1 d G . . . .
H4L H 0.477205 1.162140 0.115604 0.096 Uiso 1 1 calc R U . . .
C4M C 0.6574(8) 1.2204(6) 0.1898(5) 0.054(4) Uani 1 1 d G . . . .
C4N C 0.6020(7) 1.2822(8) 0.1985(6) 0.077(5) Uani 1 1 d G . . . .
H4N H 0.544383 1.267791 0.190067 0.092 Uiso 1 1 calc R U . . .
C4O C 0.6309(11) 1.3650(7) 0.2194(7) 0.126(10) Uani 1 1 d G . . . .
H4O H 0.592992 1.407176 0.225393 0.151 Uiso 1 1 calc R U . . .
C4P C 0.7151(12) 1.3860(6) 0.2317(7) 0.130(10) Uani 1 1 d G . . . .
H4P H 0.734870 1.442617 0.246069 0.156 Uiso 1 1 calc R U . . .
C4Q C 0.7705(8) 1.3243(9) 0.2230(7) 0.116(9) Uani 1 1 d G . . . .
H4Q H 0.828142 1.338675 0.231419 0.140 Uiso 1 1 calc R U . . .
C4R C 0.7417(7) 1.2415(8) 0.2020(6) 0.102(8) Uani 1 1 d G . . . .
H4R H 0.779535 1.199288 0.196093 0.122 Uiso 1 1 calc R U . . .
C5A C 0.6509(6) 0.7092(6) 0.0377(3) 0.044(4) Uani 1 1 d G . . . .
C5B C 0.6475(6) 0.6689(6) -0.0147(4) 0.054(4) Uani 1 1 d G . . . .
H5B H 0.686513 0.629746 -0.027160 0.064 Uiso 1 1 calc R U . . .
C5C C 0.5870(7) 0.6860(7) -0.0490(3) 0.065(5) Uani 1 1 d G . . . .
H5C H 0.584711 0.658412 -0.084800 0.078 Uiso 1 1 calc R U . . .
C5D C 0.5300(6) 0.7433(8) -0.0308(4) 0.062(5) Uani 1 1 d G . . . .
H5D H 0.488623 0.754940 -0.054155 0.074 Uiso 1 1 calc R U . . .
C5E C 0.5333(6) 0.7836(7) 0.0217(4) 0.060(5) Uani 1 1 d G . . . .
H5E H 0.494337 0.822804 0.034130 0.072 Uiso 1 1 calc R U . . .
C5F C 0.5938(6) 0.7666(6) 0.0559(3) 0.047(4) Uani 1 1 d G . . . .
H5F H 0.596138 0.794139 0.091772 0.056 Uiso 1 1 calc R U . . .
C5G C 0.8129(7) 0.6492(7) 0.0514(4) 0.058(4) Uani 1 1 d G . . . .
C5H C 0.8787(8) 0.7075(6) 0.0578(5) 0.075(5) Uani 1 1 d G . . . .
H5H H 0.876768 0.762331 0.079939 0.090 Uiso 1 1 calc R U . . .
C5I C 0.9474(8) 0.6854(9) 0.0319(6) 0.100(7) Uani 1 1 d G . . . .
H5I H 0.992356 0.725231 0.036263 0.119 Uiso 1 1 calc R U . . .
C5J C 0.9502(9) 0.6052(11) -0.0005(5) 0.107(7) Uani 1 1 d G . . . .
H5J H 0.997148 0.590108 -0.018212 0.128 Uiso 1 1 calc R U . . .
C5K C 0.8844(10) 0.5469(8) -0.0069(5) 0.101(7) Uani 1 1 d G . . . .
H5K H 0.886353 0.492083 -0.029011 0.122 Uiso 1 1 calc R U . . .
C5L C 0.8157(8) 0.5690(7) 0.0190(5) 0.080(5) Uani 1 1 d G . . . .
H5L H 0.770764 0.529182 0.014664 0.096 Uiso 1 1 calc R U . . .
C5M C 0.6788(8) 0.5893(7) 0.0921(5) 0.065(5) Uani 1 1 d G . . . .
C5N C 0.6033(8) 0.5526(8) 0.0655(5) 0.071(5) Uani 1 1 d G . . . .
H5N H 0.571689 0.579718 0.044925 0.085 Uiso 1 1 calc R U . . .
C5O C 0.5739(8) 0.4763(9) 0.0689(6) 0.102(9) Uani 1 1 d G . . . .
H5O H 0.522305 0.451274 0.050694 0.123 Uiso 1 1 calc R U . . .
C5P C 0.6201(11) 0.4367(9) 0.0989(8) 0.172(18) Uani 1 1 d G . . . .
H5P H 0.600070 0.384572 0.101266 0.207 Uiso 1 1 calc R U . . .
C5Q C 0.6956(11) 0.4734(10) 0.1255(8) 0.177(19) Uani 1 1 d G . . . .
H5Q H 0.727218 0.446314 0.146069 0.212 Uiso 1 1 calc R U . . .
C5R C 0.7250(8) 0.5497(10) 0.1221(6) 0.111(10) Uani 1 1 d G . . . .
H5R H 0.776604 0.574758 0.140301 0.134 Uiso 1 1 calc R U . . .
C6A C 0.9233(9) 0.6061(7) 0.2153(4) 0.082(7) Uani 1 1 d G . . . .
C6B C 0.9464(8) 0.6275(6) 0.1730(4) 0.050(4) Uani 1 1 d G . . . .
H6B H 0.955939 0.684224 0.175038 0.060 Uiso 1 1 calc R U . . .
C6C C 0.9554(9) 0.5658(8) 0.1277(4) 0.083(7) Uani 1 1 d G . . . .
H6C H 0.971221 0.580368 0.098803 0.100 Uiso 1 1 calc R U . . .
C6D C 0.9414(12) 0.4827(7) 0.1247(4) 0.101(9) Uani 1 1 d G . . . .
H6D H 0.947654 0.440553 0.093773 0.121 Uiso 1 1 calc R U . . .
C6E C 0.9184(12) 0.4614(6) 0.1670(5) 0.110(10) Uani 1 1 d G . . . .
H6E H 0.908803 0.404593 0.164978 0.131 Uiso 1 1 calc R U . . .
C6F C 0.9093(11) 0.5230(8) 0.2123(4) 0.089(7) Uani 1 1 d G . . . .
H6F H 0.893520 0.508449 0.241213 0.106 Uiso 1 1 calc R U . . .
C6G C 0.8634(9) 0.6408(7) 0.3165(5) 0.069(4) Uani 1 1 d G U . . .
C6H C 0.7807(9) 0.6131(8) 0.3029(4) 0.078(5) Uani 1 1 d G U . . .
H6H H 0.751138 0.622135 0.273506 0.094 Uiso 1 1 calc R U . . .
C6I C 0.7411(7) 0.5720(8) 0.3321(6) 0.089(5) Uani 1 1 d G U . . .
H6I H 0.684596 0.553058 0.322788 0.106 Uiso 1 1 calc R U . . .
C6J C 0.7844(10) 0.5588(9) 0.3751(5) 0.090(6) Uani 1 1 d G U . . .
H6J H 0.757353 0.530735 0.395104 0.108 Uiso 1 1 calc R U . . .
C6K C 0.8671(10) 0.5866(10) 0.3888(5) 0.099(6) Uani 1 1 d G U . . .
H6K H 0.896653 0.577488 0.418138 0.119 Uiso 1 1 calc R U . . .
C6L C 0.9066(7) 0.6276(9) 0.3595(5) 0.082(5) Uani 1 1 d G U . . .
H6L H 0.963197 0.646564 0.368857 0.099 Uiso 1 1 calc R U . . .
C6M C 1.0184(8) 0.7101(8) 0.3048(5) 0.067(4) Uani 1 1 d G U . . .
C6N C 1.0770(10) 0.6531(8) 0.2896(5) 0.093(6) Uani 1 1 d G U . . .
H6N H 1.061509 0.601810 0.263723 0.111 Uiso 1 1 calc R U . . .
C6O C 1.1583(9) 0.6710(12) 0.3123(7) 0.140(10) Uani 1 1 d G U . . .
H6O H 1.198356 0.631936 0.301854 0.168 Uiso 1 1 calc R U . . .
C6P C 1.1810(8) 0.7459(13) 0.3501(7) 0.139(9) Uani 1 1 d G U . . .
H6P H 1.236568 0.758168 0.365619 0.167 Uiso 1 1 calc R U . . .
C6Q C 1.1224(12) 0.8030(9) 0.3654(6) 0.122(8) Uani 1 1 d G U . . .
H6Q H 1.137933 0.854275 0.391253 0.147 Uiso 1 1 calc R U . . .
C6R C 1.0411(10) 0.7851(8) 0.3427(5) 0.102(7) Uani 1 1 d G U . . .
H6R H 1.001085 0.824151 0.353122 0.123 Uiso 1 1 calc R U . . .
C7A C 1.1177(6) 1.0891(6) 0.2718(4) 0.052(4) Uani 1 1 d G . . . .
C7B C 1.1298(6) 1.0893(6) 0.2223(3) 0.046(4) Uani 1 1 d G . . . .
H7B H 1.116283 1.040445 0.194097 0.056 Uiso 1 1 calc R U . . .
C7C C 1.1617(6) 1.1611(7) 0.2139(4) 0.062(5) Uani 1 1 d G . . . .
H7C H 1.169967 1.161309 0.180042 0.074 Uiso 1 1 calc R U . . .
C7D C 1.1815(6) 1.2327(6) 0.2551(6) 0.074(6) Uani 1 1 d G . . . .
H7D H 1.203298 1.281726 0.249388 0.089 Uiso 1 1 calc R U . . .
C7E C 1.1694(7) 1.2324(6) 0.3046(5) 0.078(7) Uani 1 1 d G . . . .
H7E H 1.182945 1.281282 0.332790 0.094 Uiso 1 1 calc R U . . .
C7F C 1.1375(7) 1.1606(8) 0.3130(3) 0.065(5) Uani 1 1 d G . . . .
H7F H 1.129261 1.160420 0.346846 0.078 Uiso 1 1 calc R U . . .
C7G C 1.1415(5) 0.9125(6) 0.2480(4) 0.050(4) Uani 1 1 d G . . . .
C7H C 1.1071(5) 0.8313(7) 0.2341(4) 0.060(5) Uani 1 1 d G . . . .
H7H H 1.051556 0.820704 0.239247 0.072 Uiso 1 1 calc R U . . .
C7I C 1.1541(7) 0.7657(6) 0.2127(5) 0.073(6) Uani 1 1 d G . . . .
H7I H 1.130591 0.710217 0.203219 0.087 Uiso 1 1 calc R U . . .
C7J C 1.2354(7) 0.7812(7) 0.2052(4) 0.073(6) Uani 1 1 d G . . . .
H7J H 1.267512 0.736370 0.190557 0.088 Uiso 1 1 calc R U . . .
C7K C 1.2698(5) 0.8624(8) 0.2191(4) 0.055(5) Uani 1 1 d G . . . .
H7K H 1.325399 0.873010 0.213924 0.066 Uiso 1 1 calc R U . . .
C7L C 1.2229(6) 0.9280(6) 0.2405(4) 0.047(4) Uani 1 1 d G . . . .
H7L H 1.246365 0.983498 0.249951 0.057 Uiso 1 1 calc R U . . .
C7M C 1.1181(5) 1.0078(9) 0.3498(3) 0.054(4) Uani 1 1 d G . . . .
C7N C 1.2025(5) 1.0183(10) 0.3655(3) 0.072(6) Uani 1 1 d G . . . .
H7N H 1.240273 1.018005 0.341119 0.086 Uiso 1 1 calc R U . . .
C7O C 1.2316(4) 1.0292(10) 0.4167(4) 0.062(5) Uani 1 1 d G . . . .
H7O H 1.289338 1.036412 0.427320 0.074 Uiso 1 1 calc R U . . .
C7P C 1.1764(6) 1.0296(9) 0.4523(3) 0.069(6) Uani 1 1 d G . . . .
H7P H 1.196303 1.037111 0.487253 0.082 Uiso 1 1 calc R U . . .
C7Q C 1.0920(5) 1.0191(10) 0.4367(3) 0.067(6) Uani 1 1 d G . . . .
H7Q H 1.054203 1.019402 0.460986 0.081 Uiso 1 1 calc R U . . .
C7R C 1.0628(4) 1.0082(9) 0.3854(4) 0.067(6) Uani 1 1 d G . . . .
H7R H 1.005136 1.000996 0.374785 0.081 Uiso 1 1 calc R U . . .
C8A C 1.0188(4) 0.9600(6) 0.1016(4) 0.041(3) Uani 1 1 d G . . . .
C8B C 1.0447(5) 0.8919(6) 0.1160(4) 0.043(3) Uani 1 1 d G . . . .
H8B H 1.006148 0.857544 0.125814 0.051 Uiso 1 1 calc R U . . .
C8C C 1.1271(6) 0.8739(6) 0.1160(4) 0.045(4) Uani 1 1 d G . . . .
H8C H 1.144867 0.827343 0.125804 0.054 Uiso 1 1 calc R U . . .
C8D C 1.1836(4) 0.9241(7) 0.1015(4) 0.051(4) Uani 1 1 d G . . . .
H8D H 1.239904 0.911868 0.101539 0.062 Uiso 1 1 calc R U . . .
C8E C 1.1576(5) 0.9923(6) 0.0871(4) 0.050(4) Uani 1 1 d G . . . .
H8E H 1.196223 1.026593 0.077284 0.060 Uiso 1 1 calc R U . . .
C8F C 1.0752(5) 1.0102(5) 0.0871(4) 0.050(4) Uani 1 1 d G . . . .
H8F H 1.057504 1.056795 0.077294 0.060 Uiso 1 1 calc R U . . .
C8G C 0.8651(5) 0.9044(6) 0.0370(3) 0.035(3) Uani 1 1 d G . . . .
C8H C 0.9146(4) 0.8647(6) 0.0000(3) 0.047(4) Uani 1 1 d G . . . .
H8H H 0.972954 0.873456 0.006943 0.056 Uiso 1 1 calc R U . . .
C8I C 0.8787(5) 0.8123(6) -0.0472(3) 0.049(4) Uani 1 1 d G . . . .
H8I H 0.912489 0.785231 -0.072483 0.059 Uiso 1 1 calc R U . . .
C8J C 0.7932(5) 0.7996(6) -0.0573(3) 0.049(4) Uani 1 1 d G . . . .
H8J H 0.768697 0.763761 -0.089570 0.059 Uiso 1 1 calc R U . . .
C8K C 0.7437(4) 0.8392(6) -0.0203(4) 0.045(4) Uani 1 1 d G . . . .
H8K H 0.685370 0.830518 -0.027232 0.054 Uiso 1 1 calc R U . . .
C8L C 0.7797(5) 0.8916(6) 0.0269(3) 0.046(4) Uani 1 1 d G . . . .
H8L H 0.745834 0.918743 0.052194 0.055 Uiso 1 1 calc R U . . .
C8M C 0.8992(8) 1.0787(5) 0.0903(4) 0.042(3) Uani 1 1 d G U . . .
C8N C 0.8777(7) 1.0890(5) 0.0422(3) 0.045(3) Uani 1 1 d G U . . .
H8N H 0.864652 1.041760 0.012860 0.054 Uiso 1 1 calc R U . . .
C8O C 0.8755(7) 1.1683(6) 0.0370(3) 0.049(3) Uani 1 1 d G U . . .
H8O H 0.860831 1.175316 0.004175 0.059 Uiso 1 1 calc R U . . .
C8P C 0.8946(10) 1.2373(5) 0.0800(4) 0.077(6) Uani 1 1 d G U . . .
H8P H 0.893068 1.291554 0.076461 0.093 Uiso 1 1 calc R U . . .
C8Q C 0.9160(12) 1.2270(6) 0.1281(4) 0.128(9) Uani 1 1 d G U . . .
H8Q H 0.929128 1.274237 0.157432 0.153 Uiso 1 1 calc R U . . .
C8R C 0.9183(10) 1.1477(7) 0.1332(3) 0.109(8) Uani 1 1 d G U . . .
H8R H 0.932950 1.140682 0.166118 0.131 Uiso 1 1 calc R U . . .
C42 C 0.350(3) 1.354(3) 0.426(2) 0.112(17) Uiso 0.5 1 d D U P . .
H42A H 0.371615 1.324129 0.393221 0.135 Uiso 0.5 1 calc R U P . .
H42B H 0.307222 1.388414 0.416990 0.135 Uiso 0.5 1 calc R U P . .
Cl41 Cl 0.4243(13) 1.4163(13) 0.4602(8) 0.149(7) Uiso 0.5 1 d D U P . .
Cl40 Cl 0.3032(11) 1.2836(12) 0.4443(7) 0.131(5) Uiso 0.5 1 d D U P . .
C32 C 0.831(5) 1.468(2) 0.599(3) 0.17(3) Uiso 0.5 1 d D U P . .
H32A H 0.848568 1.485745 0.636275 0.204 Uiso 0.5 1 calc R U P . .
H32B H 0.771171 1.451074 0.592241 0.204 Uiso 0.5 1 calc R U P . .
Cl31 Cl 0.8561(18) 1.5488(19) 0.5701(11) 0.217(11) Uiso 0.5 1 d D U P . .
Cl30 Cl 0.8916(11) 1.3882(11) 0.5640(7) 0.123(5) Uiso 0.5 1 d D U P . .
Cl10 Cl 0.3666(6) 0.5800(5) 0.0739(3) 0.143(3) Uani 1 1 d D U . . .
Cl11 Cl 0.2611(6) 0.6998(7) 0.0488(4) 0.144(3) Uani 1 1 d D U . . .
C12 C 0.3629(14) 0.6740(15) 0.0588(12) 0.117(9) Uani 1 1 d D U . . .
H12A H 0.393693 0.718818 0.087311 0.140 Uiso 1 1 calc R U . . .
H12B H 0.390120 0.669105 0.027370 0.140 Uiso 1 1 calc R U . . .
Cl21 Cl 0.7928(10) 0.4676(11) -0.1506(6) 0.233(6) Uiso 1 1 d D U . . .
Cl20 Cl 0.8789(7) 0.6240(7) -0.1536(4) 0.166(4) Uiso 1 1 d D U . . .
C22 C 0.788(4) 0.585(2) -0.126(2) 0.30(3) Uiso 1 1 d D U . . .
H22A H 0.795038 0.604947 -0.088292 0.361 Uiso 1 1 calc R U . . .
H22B H 0.735500 0.602134 -0.139571 0.361 Uiso 1 1 calc R U . . .
Cl50 Cl 0.354(3) 1.332(3) 0.1889(17) 0.35(2) Uiso 0.6 1 d . . P B 4
Cl51 Cl 0.591(4) 0.617(4) -0.204(3) 0.34(3) Uiso 0.4 1 d . . P C 5
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Au11 Au1 Au8 69.72(2) . .
Au11 Au1 Au7 66.47(2) . .
Au8 Au1 Au7 98.16(3) . .
Au11 Au1 Au9A 103.49(13) . .
Au8 Au1 Au9A 68.29(4) . .
Au7 Au1 Au9A 165.81(6) . .
Au11 Au1 Au10 66.01(2) . .
Au8 Au1 Au10 106.80(3) . .
Au7 Au1 Au10 112.68(3) . .
Au9A Au1 Au10 69.34(12) . .
Au11 Au1 Au5 133.73(3) . .
Au8 Au1 Au5 132.22(3) . .
Au7 Au1 Au5 128.36(3) . .
Au9A Au1 Au5 65.78(5) . .
Au10 Au1 Au5 68.29(2) . .
Au11 Au1 Au2 136.06(3) . .
Au8 Au1 Au2 128.70(3) . .
Au7 Au1 Au2 71.14(2) . .
Au9A Au1 Au2 120.23(12) . .
Au10 Au1 Au2 123.85(3) . .
Au5 Au1 Au2 68.46(2) . .
Au11 Au1 Au6 88.76(2) . .
Au8 Au1 Au6 157.95(3) . .
Au7 Au1 Au6 67.67(2) . .
Au9A Au1 Au6 123.74(6) . .
Au10 Au1 Au6 66.52(2) . .
Au5 Au1 Au6 66.61(2) . .
Au2 Au1 Au6 64.45(2) . .
Au11 Au1 Au9B 92.0(4) . .
Au8 Au1 Au9B 66.47(14) . .
Au7 Au1 Au9B 157.4(4) . .
Au9A Au1 Au9B 12.0(3) . .
Au10 Au1 Au9B 60.4(3) . .
Au5 Au1 Au9B 71.2(3) . .
Au2 Au1 Au9B 131.3(4) . .
Au6 Au1 Au9B 120.92(12) . .
Au11 Au1 Au3 105.53(2) . .
Au8 Au1 Au3 65.21(2) . .
Au7 Au1 Au3 65.29(2) . .
Au9A Au1 Au3 110.26(11) . .
Au10 Au1 Au3 170.58(2) . .
Au5 Au1 Au3 120.55(2) . .
Au2 Au1 Au3 64.91(2) . .
Au6 Au1 Au3 118.83(3) . .
Au9B Au1 Au3 117.7(2) . .
Au11 Au1 Au4 152.31(3) . .
Au8 Au1 Au4 82.68(3) . .
Au7 Au1 Au4 121.68(3) . .
Au9A Au1 Au4 62.51(14) . .
Au10 Au1 Au4 122.82(3) . .
Au5 Au1 Au4 65.16(2) . .
Au2 Au1 Au4 64.50(3) . .
Au6 Au1 Au4 118.93(3) . .
Au9B Au1 Au4 74.4(4) . .
Au3 Au1 Au4 62.65(2) . .
P1 Au2 Au1 176.77(12) . .
P1 Au2 Au6 122.84(12) . .
Au1 Au2 Au6 57.91(2) . .
P1 Au2 Au4 119.06(12) . .
Au1 Au2 Au4 58.48(2) . .
Au6 Au2 Au4 108.42(3) . .
P1 Au2 Au3 123.32(11) . .
Au1 Au2 Au3 57.79(2) . .
Au6 Au2 Au3 107.48(2) . .
Au4 Au2 Au3 58.47(2) . .
P1 Au2 Au5 121.69(11) . .
Au1 Au2 Au5 55.53(2) . .
Au6 Au2 Au5 60.05(2) . .
Au4 Au2 Au5 58.99(2) . .
Au3 Au2 Au5 104.36(2) . .
P1 Au2 Au7 129.36(12) . .
Au1 Au2 Au7 53.864(18) . .
Au6 Au2 Au7 59.602(19) . .
Au4 Au2 Au7 103.13(2) . .
Au3 Au2 Au7 57.425(19) . .
Au5 Au2 Au7 103.03(2) . .
Cl1 Au3 Au1 177.71(10) . .
Cl1 Au3 Au4 122.04(12) . .
Au1 Au3 Au4 59.18(2) . .
Cl1 Au3 Au8 121.55(10) . .
Au1 Au3 Au8 56.43(2) . .
Au4 Au3 Au8 76.97(3) . .
Cl1 Au3 Au7 123.27(12) . .
Au1 Au3 Au7 56.482(18) . .
Au4 Au3 Au7 110.70(2) . .
Au8 Au3 Au7 87.81(2) . .
Cl1 Au3 Au2 124.90(10) . .
Au1 Au3 Au2 57.300(19) . .
Au4 Au3 Au2 60.75(2) . .
Au8 Au3 Au2 112.71(2) . .
Au7 Au3 Au2 64.99(2) . .
C2A Au4 Au1 178.9(3) . .
C2A Au4 Au9A 123.1(5) . .
Au1 Au4 Au9A 57.36(6) . .
C2A Au4 Au3 120.8(4) . .
Au1 Au4 Au3 58.17(2) . .
Au9A Au4 Au3 102.86(6) . .
C2A Au4 Au2 123.1(4) . .
Au1 Au4 Au2 57.02(2) . .
Au9A Au4 Au2 109.01(6) . .
Au3 Au4 Au2 60.77(2) . .
C2A Au4 Au5 124.6(3) . .
Au1 Au4 Au5 56.44(2) . .
Au9A Au4 Au5 60.87(4) . .
Au3 Au4 Au5 108.93(3) . .
Au2 Au4 Au5 62.62(2) . .
C2A Au4 Au9B 128.1(5) . .
Au1 Au4 Au9B 52.3(2) . .
Au9A Au4 Au9B 5.22(17) . .
Au3 Au4 Au9B 98.0(2) . .
Au2 Au4 Au9B 105.02(16) . .
Au5 Au4 Au9B 60.30(8) . .
Cl2 Au5 Au1 175.58(12) . .
Cl2 Au5 Au9A 118.81(12) . .
Au1 Au5 Au9A 56.77(3) . .
Cl2 Au5 Au4 119.81(10) . .
Au1 Au5 Au4 58.40(2) . .
Au9A Au5 Au4 57.58(12) . .
Cl2 Au5 Au6 126.78(11) . .
Au1 Au5 Au6 57.072(19) . .
Au9A Au5 Au6 107.74(7) . .
Au4 Au5 Au6 105.87(2) . .
Cl2 Au5 Au10 123.31(10) . .
Au1 Au5 Au10 55.700(19) . .
Au9A Au5 Au10 61.78(12) . .
Au4 Au5 Au10 106.66(2) . .
Au6 Au5 Au10 59.28(2) . .
Cl2 Au5 Au2 127.23(11) . .
Au1 Au5 Au2 56.009(18) . .
Au9A Au5 Au2 103.20(7) . .
Au4 Au5 Au2 58.39(2) . .
Au6 Au5 Au2 57.539(19) . .
Au10 Au5 Au2 103.54(2) . .
Cl2 Au5 Au9B 120.92(18) . .
Au1 Au5 Au9B 54.78(13) . .
Au9A Au5 Au9B 9.7(2) . .
Au4 Au5 Au9B 65.8(3) . .
Au6 Au5 Au9B 101.1(3) . .
Au10 Au5 Au9B 52.2(3) . .
Au2 Au5 Au9B 105.99(8) . .
P3 Au6 Au1 173.91(13) . .
P3 Au6 Au2 125.24(12) . .
Au1 Au6 Au2 57.64(2) . .
P3 Au6 Au10 118.57(13) . .
Au1 Au6 Au10 56.20(2) . .
Au2 Au6 Au10 108.70(3) . .
P3 Au6 Au5 119.19(13) . .
Au1 Au6 Au5 56.31(2) . .
Au2 Au6 Au5 62.41(2) . .
Au10 Au6 Au5 61.15(2) . .
P3 Au6 Au7 130.29(13) . .
Au1 Au6 Au7 55.433(19) . .
Au2 Au6 Au7 64.12(2) . .
Au10 Au6 Au7 96.74(2) . .
Au5 Au6 Au7 107.93(2) . .
P4 Au7 Au1 174.36(10) . .
P4 Au7 Au3 116.51(10) . .
Au1 Au7 Au3 58.23(2) . .
P4 Au7 Au11 124.32(10) . .
Au1 Au7 Au11 56.432(19) . .
Au3 Au7 Au11 94.51(2) . .
P4 Au7 Au6 128.44(10) . .
Au1 Au7 Au6 56.90(2) . .
Au3 Au7 Au6 104.82(2) . .
Au11 Au7 Au6 78.75(2) . .
P4 Au7 Au2 125.03(10) . .
Au1 Au7 Au2 54.997(19) . .
Au3 Au7 Au2 57.587(19) . .
Au11 Au7 Au2 110.54(2) . .
Au6 Au7 Au2 56.280(19) . .
P5 Au8 Au1 173.31(11) . .
P5 Au8 Au3 116.16(11) . .
Au1 Au8 Au3 58.36(2) . .
P5 Au8 Au9B 129.01(16) . .
Au1 Au8 Au9B 57.66(12) . .
Au3 Au8 Au9B 105.4(3) . .
P5 Au8 Au9A 130.38(11) . .
Au1 Au8 Au9A 55.98(3) . .
Au3 Au8 Au9A 97.24(10) . .
Au9B Au8 Au9A 10.9(3) . .
P5 Au8 Au11 124.00(10) . .
Au1 Au8 Au11 54.908(19) . .
Au3 Au8 Au11 92.08(2) . .
Au9B Au8 Au11 80.3(3) . .
Au9A Au8 Au11 87.69(9) . .
Au9B Au9A P6 92.2(7) . .
Au9B Au9A Au1 88.7(6) . .
P6 Au9A Au1 179.0(3) . .
Au9B Au9A Au4 147.9(6) . .
P6 Au9A Au4 119.0(3) . .
Au1 Au9A Au4 60.13(9) . .
Au9B Au9A Au5 109.9(6) . .
P6 Au9A Au5 121.95(15) . .
Au1 Au9A Au5 57.44(4) . .
Au4 Au9A Au5 61.54(9) . .
Au9B Au9A Au8 80.1(6) . .
P6 Au9A Au8 124.66(14) . .
Au1 Au9A Au8 55.73(3) . .
Au4 Au9A Au8 75.95(9) . .
Au5 Au9A Au8 111.97(7) . .
Au9B Au9A Au10 49.9(6) . .
P6 Au9A Au10 125.1(3) . .
Au1 Au9A Au10 55.49(6) . .
Au4 Au9A Au10 108.95(6) . .
Au5 Au9A Au10 60.78(4) . .
Au8 Au9A Au10 90.56(9) . .
Au9A Au9B P6 74.0(9) . .
Au9A Au9B Au10 120.9(7) . .
P6 Au9B Au10 137.3(3) . .
Au9A Au9B Au1 79.3(6) . .
P6 Au9B Au1 153.2(9) . .
Au10 Au9B Au1 59.15(14) . .
Au9A Au9B Au8 89.0(5) . .
P6 Au9B Au8 123.0(3) . .
Au10 Au9B Au8 98.4(3) . .
Au1 Au9B Au8 55.88(8) . .
Au9A Au9B Au5 60.4(7) . .
P6 Au9B Au5 110.2(6) . .
Au10 Au9B Au5 61.35(11) . .
Au1 Au9B Au5 53.99(17) . .
Au8 Au9B Au5 106.7(2) . .
Au9A Au9B Au4 26.9(5) . .
P6 Au9B Au4 100.2(7) . .
Au10 Au9B Au4 104.3(3) . .
Au1 Au9B Au4 53.2(3) . .
Au8 Au9B Au4 69.5(2) . .
Au5 Au9B Au4 53.9(3) . .
P7 Au10 Au1 179.67(13) . .
P7 Au10 Au9B 119.3(2) . .
Au1 Au10 Au9B 60.5(2) . .
P7 Au10 Au11 123.39(10) . .
Au1 Au10 Au11 56.450(19) . .
Au9B Au10 Au11 86.75(19) . .
P7 Au10 Au6 123.03(12) . .
Au1 Au10 Au6 57.28(2) . .
Au9B Au10 Au6 112.7(3) . .
Au11 Au10 Au6 79.55(2) . .
P7 Au10 Au5 124.19(10) . .
Au1 Au10 Au5 56.010(19) . .
Au9B Au10 Au5 66.5(4) . .
Au11 Au10 Au5 112.10(2) . .
Au6 Au10 Au5 59.57(2) . .
P7 Au10 Au9A 124.65(14) . .
Au1 Au10 Au9A 55.17(7) . .
Au9B Au10 Au9A 9.2(3) . .
Au11 Au10 Au9A 89.19(3) . .
Au6 Au10 Au9A 104.56(10) . .
Au5 Au10 Au9A 57.43(9) . .
P8 Au11 Au1 178.27(10) . .
P8 Au11 Au10 123.95(9) . .
Au1 Au11 Au10 57.54(2) . .
P8 Au11 Au7 122.56(10) . .
Au1 Au11 Au7 57.102(19) . .
Au10 Au11 Au7 99.91(2) . .
P8 Au11 Au8 123.12(10) . .
Au1 Au11 Au8 55.373(19) . .
Au10 Au11 Au8 92.49(2) . .
Au7 Au11 Au8 85.22(2) . .
C1G P1 C1M 103.9(6) . .
C1G P1 C1A 105.8(6) . .
C1M P1 C1A 104.3(6) . .
C1G P1 Au2 112.8(4) . .
C1M P1 Au2 113.1(4) . .
C1A P1 Au2 115.7(4) . .
C3M P3 C3G 104.2(7) . .
C3M P3 C3A 105.4(6) . .
C3G P3 C3A 100.7(6) . .
C3M P3 Au6 112.4(5) . .
C3G P3 Au6 117.5(5) . .
C3A P3 Au6 115.2(4) . .
C4M P4 C4G 108.3(6) . .
C4M P4 C4A 104.5(6) . .
C4G P4 C4A 103.6(5) . .
C4M P4 Au7 111.5(4) . .
C4G P4 Au7 111.8(4) . .
C4A P4 Au7 116.4(4) . .
C5M P5 C5A 104.0(5) . .
C5M P5 C5G 102.0(7) . .
C5A P5 C5G 104.6(5) . .
C5M P5 Au8 116.4(5) . .
C5A P5 Au8 113.9(4) . .
C5G P5 Au8 114.5(4) . .
C6M P6 C6A 104.5(7) . .
C6M P6 C6G 103.8(7) . .
C6A P6 C6G 106.6(6) . .
C6M P6 Au9A 116.0(5) . .
C6A P6 Au9A 111.4(5) . .
C6G P6 Au9A 113.6(5) . .
C6M P6 Au9B 107.5(6) . .
C6A P6 Au9B 105.1(5) . .
C6G P6 Au9B 127.3(7) . .
Au9A P6 Au9B 13.8(3) . .
C7M P7 C7A 103.5(6) . .
C7M P7 C7G 102.0(5) . .
C7A P7 C7G 104.8(5) . .
C7M P7 Au10 114.5(3) . .
C7A P7 Au10 116.2(4) . .
C7G P7 Au10 114.2(4) . .
C8G P8 C8M 104.1(5) . .
C8G P8 C8A 103.7(5) . .
C8M P8 C8A 105.1(5) . .
C8G P8 Au11 112.9(3) . .
C8M P8 Au11 116.2(4) . .
C8A P8 Au11 113.7(3) . .
C1B C1A C1F 120.0 . .
C1B C1A P1 117.0(7) . .
C1F C1A P1 123.0(7) . .
C1A C1B C1C 120.0 . .
C1D C1C C1B 120.0 . .
C1C C1D C1E 120.0 . .
C1D C1E C1F 120.0 . .
C1E C1F C1A 120.0 . .
C1H C1G C1L 120.0 . .
C1H C1G P1 118.2(7) . .
C1L C1G P1 121.8(7) . .
C1G C1H C1I 120.0 . .
C1J C1I C1H 120.0 . .
C1K C1J C1I 120.0 . .
C1J C1K C1L 120.0 . .
C1K C1L C1G 120.0 . .
C1N C1M C1R 120.0 . .
C1N C1M P1 121.3(7) . .
C1R C1M P1 118.7(7) . .
C1O C1N C1M 120.0 . .
C1P C1O C1N 120.0 . .
C1O C1P C1Q 120.0 . .
C1R C1Q C1P 120.0 . .
C1Q C1R C1M 120.0 . .
N2AA C2A N2BA 114.5(16) . .
N2AB C2A N2BB 104(2) . .
N2AA C2A Au4 123.7(11) . .
N2BA C2A Au4 121.6(11) . .
N2AB C2A Au4 127.9(13) . .
N2BB C2A Au4 127.1(13) . .
C2A N2AA C2H 126.1(16) . .
C2A N2AA C2BA 103.0(15) . .
C2H N2AA C2BA 130.9(17) . .
C2K N2BA C2A 125.5(16) . .
C2K N2BA C2GA 127.3(16) . .
C2A N2BA C2GA 102.4(15) . .
C2CA C2BA C2GA 120.0 . .
C2CA C2BA N2AA 129.8(16) . .
C2GA C2BA N2AA 110.2(16) . .
C2DA C2CA C2BA 120.0 . .
C2CA C2DA C2EA 120.0 . .
C2FA C2EA C2DA 120.0 . .
C2GA C2FA C2EA 120.0 . .
C2FA C2GA C2BA 120.0 . .
C2FA C2GA N2BA 129.9(16) . .
C2BA C2GA N2BA 109.7(16) . .
C2A N2AB C2BB 109(3) . .
C2A N2AB C2H 118.9(19) . .
C2BB N2AB C2H 130(3) . .
C2A N2BB C2GB 111(2) . .
C2A N2BB C2K 119(2) . .
C2GB N2BB C2K 130(3) . .
C2CB C2BB C2GB 120.0 . .
C2CB C2BB N2AB 131(3) . .
C2GB C2BB N2AB 109(3) . .
C2BB C2CB C2DB 120.0 . .
C2EB C2DB C2CB 120.0 . .
C2DB C2EB C2FB 120.0 . .
C2GB C2FB C2EB 120.0 . .
C2FB C2GB C2BB 120.0 . .
C2FB C2GB N2BB 134(3) . .
C2BB C2GB N2BB 106(3) . .
N2AA C2H C2I 114.9(16) . .
N2AB C2H C2I 113.3(18) . .
N2AA C2H C2J 107.7(17) . .
N2AB C2H C2J 106.3(19) . .
C2I C2H C2J 108.9(14) . .
N2BA C2K C2M 125.9(18) . .
N2BB C2K C2M 112(2) . .
N2BA C2K C2L 101.3(18) . .
N2BB C2K C2L 114(2) . .
C2M C2K C2L 105.3(16) . .
C3B C3A C3F 120.0 . .
C3B C3A P3 118.3(6) . .
C3F C3A P3 121.6(6) . .
C3C C3B C3A 120.0 . .
C3D C3C C3B 120.0 . .
C3C C3D C3E 120.0 . .
C3F C3E C3D 120.0 . .
C3E C3F C3A 120.0 . .
C3H C3G C3L 120.0 . .
C3H C3G P3 122.1(8) . .
C3L C3G P3 117.7(8) . .
C3G C3H C3I 120.0 . .
C3J C3I C3H 120.0 . .
C3I C3J C3K 120.0 . .
C3J C3K C3L 120.0 . .
C3K C3L C3G 120.0 . .
C3N C3M C3R 120.0 . .
C3N C3M P3 116.3(7) . .
C3R C3M P3 123.4(7) . .
C3O C3N C3M 120.0 . .
C3N C3O C3P 120.0 . .
C3Q C3P C3O 120.0 . .
C3P C3Q C3R 120.0 . .
C3Q C3R C3M 120.0 . .
C4B C4A C4F 120.0 . .
C4B C4A P4 116.6(7) . .
C4F C4A P4 123.3(7) . .
C4A C4B C4C 120.0 . .
C4D C4C C4B 120.0 . .
C4E C4D C4C 120.0 . .
C4D C4E C4F 120.0 . .
C4E C4F C4A 120.0 . .
C4H C4G C4L 120.0 . .
C4H C4G P4 119.5(6) . .
C4L C4G P4 120.5(6) . .
C4I C4H C4G 120.0 . .
C4H C4I C4J 120.0 . .
C4I C4J C4K 120.0 . .
C4L C4K C4J 120.0 . .
C4K C4L C4G 120.0 . .
C4N C4M C4R 120.0 . .
C4N C4M P4 123.2(7) . .
C4R C4M P4 116.8(7) . .
C4O C4N C4M 120.0 . .
C4N C4O C4P 120.0 . .
C4Q C4P C4O 120.0 . .
C4P C4Q C4R 120.0 . .
C4Q C4R C4M 120.0 . .
C5B C5A C5F 120.0 . .
C5B C5A P5 122.6(6) . .
C5F C5A P5 117.2(6) . .
C5A C5B C5C 120.0 . .
C5B C5C C5D 120.0 . .
C5C C5D C5E 120.0 . .
C5F C5E C5D 120.0 . .
C5E C5F C5A 120.0 . .
C5H C5G C5L 120.0 . .
C5H C5G P5 116.8(7) . .
C5L C5G P5 123.2(7) . .
C5I C5H C5G 120.0 . .
C5H C5I C5J 120.0 . .
C5K C5J C5I 120.0 . .
C5L C5K C5J 120.0 . .
C5K C5L C5G 120.0 . .
C5N C5M C5R 120.0 . .
C5N C5M P5 122.1(7) . .
C5R C5M P5 117.8(7) . .
C5M C5N C5O 120.0 . .
C5P C5O C5N 120.0 . .
C5O C5P C5Q 120.0 . .
C5R C5Q C5P 120.0 . .
C5Q C5R C5M 120.0 . .
C6B C6A C6F 120.0 . .
C6B C6A P6 118.7(7) . .
C6F C6A P6 121.2(7) . .
C6A C6B C6C 120.0 . .
C6D C6C C6B 120.0 . .
C6C C6D C6E 120.0 . .
C6F C6E C6D 120.0 . .
C6E C6F C6A 120.0 . .
C6H C6G C6L 120.0 . .
C6H C6G P6 119.2(8) . .
C6L C6G P6 120.7(8) . .
C6I C6H C6G 120.0 . .
C6H C6I C6J 120.0 . .
C6I C6J C6K 120.0 . .
C6L C6K C6J 120.0 . .
C6K C6L C6G 120.0 . .
C6N C6M C6R 120.0 . .
C6N C6M P6 119.7(9) . .
C6R C6M P6 120.2(9) . .
C6O C6N C6M 120.0 . .
C6N C6O C6P 120.0 . .
C6Q C6P C6O 120.0 . .
C6P C6Q C6R 120.0 . .
C6Q C6R C6M 120.0 . .
C7B C7A C7F 120.0 . .
C7B C7A P7 120.2(6) . .
C7F C7A P7 119.8(6) . .
C7A C7B C7C 120.0 . .
C7D C7C C7B 120.0 . .
C7E C7D C7C 120.0 . .
C7D C7E C7F 120.0 . .
C7E C7F C7A 120.0 . .
C7H C7G C7L 120.0 . .
C7H C7G P7 116.6(6) . .
C7L C7G P7 123.0(6) . .
C7I C7H C7G 120.0 . .
C7J C7I C7H 120.0 . .
C7I C7J C7K 120.0 . .
C7J C7K C7L 120.0 . .
C7K C7L C7G 120.0 . .
C7N C7M C7R 120.0 . .
C7N C7M P7 120.8(5) . .
C7R C7M P7 119.2(5) . .
C7O C7N C7M 120.0 . .
C7N C7O C7P 120.0 . .
C7Q C7P C7O 120.0 . .
C7P C7Q C7R 120.0 . .
C7Q C7R C7M 120.0 . .
C8B C8A C8F 120.0 . .
C8B C8A P8 117.2(5) . .
C8F C8A P8 122.7(5) . .
C8C C8B C8A 120.0 . .
C8B C8C C8D 120.0 . .
C8E C8D C8C 120.0 . .
C8D C8E C8F 120.0 . .
C8E C8F C8A 120.0 . .
C8H C8G C8L 120.0 . .
C8H C8G P8 122.2(5) . .
C8L C8G P8 117.8(5) . .
C8I C8H C8G 120.0 . .
C8H C8I C8J 120.0 . .
C8K C8J C8I 120.0 . .
C8L C8K C8J 120.0 . .
C8K C8L C8G 120.0 . .
C8N C8M C8R 120.0 . .
C8N C8M P8 121.9(6) . .
C8R C8M P8 118.0(6) . .
C8O C8N C8M 120.0 . .
C8N C8O C8P 120.0 . .
C8O C8P C8Q 120.0 . .
C8R C8Q C8P 120.0 . .
C8Q C8R C8M 120.0 . .
Cl41 C42 Cl40 124(4) . .
Cl30 C32 Cl31 99(4) . .
Cl11 C12 Cl10 111.4(15) . .
Cl21 C22 Cl20 103(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 Au11 2.6405(7) .
Au1 Au8 2.6555(8) .
Au1 Au7 2.6608(8) .
Au1 Au9A 2.6631(17) .
Au1 Au10 2.6735(8) .
Au1 Au5 2.6833(7) .
Au1 Au2 2.6987(8) .
Au1 Au6 2.7067(8) .
Au1 Au9B 2.710(5) .
Au1 Au3 2.7134(8) .
Au1 Au4 2.7425(8) .
Au2 P1 2.286(4) .
Au2 Au6 2.8823(9) .
Au2 Au4 2.9038(10) .
Au2 Au3 2.9044(8) .
Au2 Au5 3.0276(9) .
Au2 Au7 3.1177(8) .
Au3 Cl1 2.374(4) .
Au3 Au4 2.8368(9) .
Au3 Au8 2.8935(8) .
Au3 Au7 2.8992(8) .
Au4 C2A 2.092(16) .
Au4 Au9A 2.806(6) .
Au4 Au5 2.9221(9) .
Au4 Au9B 3.298(18) .
Au5 Cl2 2.352(3) .
Au5 Au9A 2.903(2) .
Au5 Au6 2.9599(9) .
Au5 Au10 3.0067(8) .
Au5 Au9B 3.141(12) .
Au6 P3 2.297(4) .
Au6 Au10 2.9509(9) .
Au6 Au7 2.9890(8) .
Au7 P4 2.284(4) .
Au7 Au11 2.9054(8) .
Au8 P5 2.288(4) .
Au8 Au9B 2.941(5) .
Au8 Au9A 2.9853(15) .
Au8 Au11 3.0271(9) .
Au9A Au9B 0.565(15) .
Au9A P6 2.279(5) .
Au9A Au10 3.036(4) .
Au9B P6 2.370(10) .
Au9B Au10 2.707(11) .
Au10 P7 2.292(4) .
Au10 Au11 2.8946(8) .
Au11 P8 2.281(3) .
P1 C1G 1.801(9) .
P1 C1M 1.803(10) .
P1 C1A 1.805(10) .
P3 C3M 1.816(11) .
P3 C3G 1.817(11) .
P3 C3A 1.819(9) .
P4 C4M 1.814(10) .
P4 C4G 1.834(8) .
P4 C4A 1.839(9) .
P5 C5M 1.814(9) .
P5 C5A 1.828(8) .
P5 C5G 1.832(10) .
P6 C6M 1.760(12) .
P6 C6A 1.818(10) .
P6 C6G 1.839(10) .
P7 C7M 1.817(8) .
P7 C7A 1.823(10) .
P7 C7G 1.850(9) .
P8 C8G 1.821(7) .
P8 C8M 1.831(8) .
P8 C8A 1.835(7) .
C1A C1B 1.3900 .
C1A C1F 1.3900 .
C1B C1C 1.3900 .
C1C C1D 1.3900 .
C1D C1E 1.3900 .
C1E C1F 1.3900 .
C1G C1H 1.3900 .
C1G C1L 1.3900 .
C1H C1I 1.3900 .
C1I C1J 1.3900 .
C1J C1K 1.3900 .
C1K C1L 1.3900 .
C1M C1N 1.3900 .
C1M C1R 1.3900 .
C1N C1O 1.3900 .
C1O C1P 1.3900 .
C1P C1Q 1.3900 .
C1Q C1R 1.3900 .
C2A N2AA 1.398(16) .
C2A N2BA 1.408(16) .
C2A N2AB 1.424(19) .
C2A N2BB 1.429(19) .
N2AA C2H 1.40(2) .
N2AA C2BA 1.409(16) .
N2BA C2K 1.39(2) .
N2BA C2GA 1.420(16) .
C2BA C2CA 1.3900 .
C2BA C2GA 1.3900 .
C2CA C2DA 1.3900 .
C2DA C2EA 1.3900 .
C2EA C2FA 1.3900 .
C2FA C2GA 1.3900 .
N2AB C2BB 1.425(19) .
N2AB C2H 1.48(3) .
N2BB C2GB 1.433(19) .
N2BB C2K 1.46(3) .
C2BB C2CB 1.3900 .
C2BB C2GB 1.3900 .
C2CB C2DB 1.3900 .
C2DB C2EB 1.3900 .
C2EB C2FB 1.3900 .
C2FB C2GB 1.3900 .
C2H C2I 1.525(16) .
C2H C2J 1.543(16) .
C2K C2M 1.512(16) .
C2K C2L 1.537(17) .
C3A C3B 1.3900 .
C3A C3F 1.3900 .
C3B C3C 1.3900 .
C3C C3D 1.3900 .
C3D C3E 1.3900 .
C3E C3F 1.3900 .
C3G C3H 1.3900 .
C3G C3L 1.3900 .
C3H C3I 1.3900 .
C3I C3J 1.3900 .
C3J C3K 1.3900 .
C3K C3L 1.3900 .
C3M C3N 1.3900 .
C3M C3R 1.3900 .
C3N C3O 1.3900 .
C3O C3P 1.3900 .
C3P C3Q 1.3900 .
C3Q C3R 1.3900 .
C4A C4B 1.3900 .
C4A C4F 1.3900 .
C4B C4C 1.3900 .
C4C C4D 1.3900 .
C4D C4E 1.3900 .
C4E C4F 1.3900 .
C4G C4H 1.3900 .
C4G C4L 1.3900 .
C4H C4I 1.3900 .
C4I C4J 1.3900 .
C4J C4K 1.3900 .
C4K C4L 1.3900 .
C4M C4N 1.3900 .
C4M C4R 1.3900 .
C4N C4O 1.3900 .
C4O C4P 1.3900 .
C4P C4Q 1.3900 .
C4Q C4R 1.3900 .
C5A C5B 1.3900 .
C5A C5F 1.3900 .
C5B C5C 1.3900 .
C5C C5D 1.3900 .
C5D C5E 1.3900 .
C5E C5F 1.3900 .
C5G C5H 1.3900 .
C5G C5L 1.3900 .
C5H C5I 1.3900 .
C5I C5J 1.3900 .
C5J C5K 1.3900 .
C5K C5L 1.3900 .
C5M C5N 1.3900 .
C5M C5R 1.3900 .
C5N C5O 1.3900 .
C5O C5P 1.3900 .
C5P C5Q 1.3900 .
C5Q C5R 1.3900 .
C6A C6B 1.3900 .
C6A C6F 1.3900 .
C6B C6C 1.3900 .
C6C C6D 1.3900 .
C6D C6E 1.3900 .
C6E C6F 1.3900 .
C6G C6H 1.3900 .
C6G C6L 1.3900 .
C6H C6I 1.3900 .
C6I C6J 1.3900 .
C6J C6K 1.3900 .
C6K C6L 1.3900 .
C6M C6N 1.3900 .
C6M C6R 1.3900 .
C6N C6O 1.3900 .
C6O C6P 1.3900 .
C6P C6Q 1.3900 .
C6Q C6R 1.3900 .
C7A C7B 1.3900 .
C7A C7F 1.3900 .
C7B C7C 1.3900 .
C7C C7D 1.3900 .
C7D C7E 1.3900 .
C7E C7F 1.3900 .
C7G C7H 1.3900 .
C7G C7L 1.3900 .
C7H C7I 1.3900 .
C7I C7J 1.3900 .
C7J C7K 1.3900 .
C7K C7L 1.3900 .
C7M C7N 1.3900 .
C7M C7R 1.3900 .
C7N C7O 1.3900 .
C7O C7P 1.3900 .
C7P C7Q 1.3900 .
C7Q C7R 1.3900 .
C8A C8B 1.3900 .
C8A C8F 1.3900 .
C8B C8C 1.3900 .
C8C C8D 1.3900 .
C8D C8E 1.3900 .
C8E C8F 1.3900 .
C8G C8H 1.3900 .
C8G C8L 1.3900 .
C8H C8I 1.3900 .
C8I C8J 1.3900 .
C8J C8K 1.3900 .
C8K C8L 1.3900 .
C8M C8N 1.3900 .
C8M C8R 1.3900 .
C8N C8O 1.3900 .
C8O C8P 1.3900 .
C8P C8Q 1.3900 .
C8Q C8R 1.3900 .
C42 Cl41 1.60(3) .
C42 Cl40 1.61(3) .
C32 Cl30 1.80(5) .
C32 Cl31 1.81(5) .
Cl10 C12 1.756(19) .
Cl11 C12 1.750(19) .
Cl21 C22 1.90(4) .
Cl20 C22 1.90(4) .
