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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/. 
# 
# Audit and citation data items have may been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_AH164_2
_database_code_depnum_ccdc_archive 'CCDC 1031067'
_audit_update_record             
;
2014-10-26 deposited with the CCDC.
2014-11-26 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2013

#==============================================================================

# CHEMICAL DATA

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C53 H59 N2 P3, 0.5 (C6 H6)'
_chemical_formula_sum            'C56 H62 N2 P3'
_chemical_formula_weight         855.98

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

#==============================================================================

# CRYSTAL DATA

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   11.3859(3)
_cell_length_b                   32.6880(10)
_cell_length_c                   13.0222(4)
_cell_angle_alpha                90
_cell_angle_beta                 96.019(2)
_cell_angle_gamma                90
_cell_volume                     4819.9(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9901
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      24.19

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.180
_exptl_crystal_F_000             1828
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.520
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    0.162
_shelx_estimated_absorpt_T_min   0.921
_shelx_estimated_absorpt_T_max   0.973
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.6644
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'

#==============================================================================

# EXPERIMENTAL DATA

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            79076
_diffrn_reflns_av_unetI/netI     0.0602
_diffrn_reflns_av_R_equivalents  0.0574
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.691
_diffrn_reflns_theta_max         30.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             14699
_reflns_number_gt                9071
_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       'Bruker Apex V7.51A'
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-2013

#==============================================================================

# REFINEMENT DATA 

_refine_special_details          
;
 All H atoms were positioned geometrically and refined using a 
 riding model, with C---H = 0.98 (methyl groups), 0.99Å (methylene groups), 
 1.00Å (methine groups) or 0.95 Å (aryl CH) and with Uiso(H) = 
 1.5 times Ueq(C) (methyl groups) or with Uiso(H) = 1.2 times 
 Ueq(C) (methylene  groups, aryl CH, methine groups).
 
 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 > 2σ(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     
'w=1/[σ²(Fo²)+(0.0584P)²+1.3157P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14699
_refine_ls_number_parameters     565
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0986
_refine_ls_R_factor_gt           0.0525
_refine_ls_wR_factor_ref         0.1472
_refine_ls_wR_factor_gt          0.1238
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

#==============================================================================

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

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
P1 P 0.15554(4) 0.64731(2) 0.51708(4) 0.03226(12) Uani 1 1 d . . . . .
P2 P 0.37586(4) 0.62155(2) 0.64857(3) 0.02998(11) Uani 1 1 d . . . . .
P3 P 0.35245(4) 0.58664(2) 0.50192(4) 0.03254(12) Uani 1 1 d . . . . .
N1 N 0.24488(12) 0.64882(4) 0.63184(11) 0.0291(3) Uani 1 1 d . . . . .
N2 N 0.43091(12) 0.63191(4) 0.53487(10) 0.0271(3) Uani 1 1 d . . . . .
C1 C 0.17998(15) 0.65784(5) 0.71970(14) 0.0313(4) Uani 1 1 d . . . . .
C2 C 0.15105(16) 0.69842(5) 0.74046(14) 0.0334(4) Uani 1 1 d . . . . .
C3 C 0.07648(18) 0.70613(6) 0.81720(16) 0.0457(5) Uani 1 1 d . . . . .
H3 H 0.0544 0.7335 0.8305 0.055 Uiso 1 1 calc R U . . .
C4 C 0.0347(2) 0.67485(7) 0.87361(18) 0.0548(6) Uani 1 1 d . . . . .
H4 H -0.0173 0.6805 0.9243 0.066 Uiso 1 1 calc R U . . .
C5 C 0.0686(2) 0.63513(7) 0.85634(17) 0.0512(6) Uani 1 1 d . . . . .
H5 H 0.0418 0.6137 0.8972 0.061 Uiso 1 1 calc R U . . .
C6 C 0.14144(17) 0.62604(6) 0.77994(15) 0.0371(4) Uani 1 1 d . . . . .
C7 C 0.17972(16) 0.58267(6) 0.76879(14) 0.0352(4) Uani 1 1 d . . . . .
C8 C 0.27801(17) 0.56863(6) 0.83205(15) 0.0402(4) Uani 1 1 d . . . . .
C9 C 0.31454(18) 0.52861(6) 0.82116(16) 0.0436(5) Uani 1 1 d . . . . .
H9 H 0.3814 0.5190 0.8642 0.052 Uiso 1 1 calc R U . . .
C10 C 0.25732(18) 0.50220(6) 0.75007(16) 0.0435(5) Uani 1 1 d . . . . .
C11 C 0.15773(17) 0.51653(6) 0.69003(16) 0.0400(4) Uani 1 1 d . . . . .
H11 H 0.1170 0.4987 0.6409 0.048 Uiso 1 1 calc R U . . .
C12 C 0.11603(16) 0.55596(6) 0.69960(15) 0.0359(4) Uani 1 1 d . . . . .
C13 C 0.3439(2) 0.59566(8) 0.91263(17) 0.0575(6) Uani 1 1 d . . . . .
H13A H 0.4099 0.5804 0.9486 0.086 Uiso 1 1 calc R U . . .
H13B H 0.2902 0.6045 0.9625 0.086 Uiso 1 1 calc R U . . .
H13C H 0.3743 0.6197 0.8791 0.086 Uiso 1 1 calc R U . . .
C14 C 0.2999(2) 0.45895(7) 0.7412(2) 0.0642(7) Uani 1 1 d . . . . .
H14A H 0.3052 0.4458 0.8092 0.096 Uiso 1 1 calc R U . . .
H14B H 0.3779 0.4591 0.7159 0.096 Uiso 1 1 calc R U . . .
H14C H 0.2442 0.4438 0.6929 0.096 Uiso 1 1 calc R U . . .
C15 C -0.00027(17) 0.56873(6) 0.64295(17) 0.0440(5) Uani 1 1 d . . . . .
H15A H 0.0110 0.5935 0.6027 0.066 Uiso 1 1 calc R U . . .
H15B H -0.0570 0.5743 0.6929 0.066 Uiso 1 1 calc R U . . .
H15C H -0.0305 0.5467 0.5964 0.066 Uiso 1 1 calc R U . . .
C16 C 0.19834(15) 0.73529(5) 0.69123(13) 0.0312(4) Uani 1 1 d . . . . .
C17 C 0.12551(17) 0.75870(6) 0.62027(14) 0.0367(4) Uani 1 1 d . . . . .
C18 C 0.16644(19) 0.79609(6) 0.58840(15) 0.0411(5) Uani 1 1 d . . . . .
H18 H 0.1172 0.8118 0.5400 0.049 Uiso 1 1 calc R U . . .
C19 C 0.27672(19) 0.81129(6) 0.62463(15) 0.0417(5) Uani 1 1 d . . . . .
C20 C 0.34771(17) 0.78750(6) 0.69404(15) 0.0393(4) Uani 1 1 d . . . . .
H20 H 0.4239 0.7973 0.7193 0.047 Uiso 1 1 calc R U . . .
C21 C 0.31069(16) 0.74982(6) 0.72768(14) 0.0347(4) Uani 1 1 d . . . . .
C22 C 0.00394(18) 0.74403(7) 0.58008(18) 0.0509(5) Uani 1 1 d . . . . .
H22A H -0.0413 0.7381 0.6383 0.076 Uiso 1 1 calc R U . . .
H22B H 0.0106 0.7192 0.5391 0.076 Uiso 1 1 calc R U . . .
H22C H -0.0365 0.7653 0.5367 0.076 Uiso 1 1 calc R U . . .
C23 C 0.3177(2) 0.85254(6) 0.59077(19) 0.0594(6) Uani 1 1 d . . . . .
H23A H 0.4024 0.8556 0.6120 0.089 Uiso 1 1 calc R U . . .
H23B H 0.2743 0.8741 0.6229 0.089 Uiso 1 1 calc R U . . .
H23C H 0.3031 0.8548 0.5155 0.089 Uiso 1 1 calc R U . . .
C24 C 0.38928(19) 0.72574(7) 0.80530(17) 0.0510(5) Uani 1 1 d . . . . .
H24A H 0.3481 0.7207 0.8665 0.076 Uiso 1 1 calc R U . . .
H24B H 0.4618 0.7412 0.8251 0.076 Uiso 1 1 calc R U . . .
H24C H 0.4092 0.6995 0.7749 0.076 Uiso 1 1 calc R U . . .
C25 C 0.54573(14) 0.64323(5) 0.51031(13) 0.0266(3) Uani 1 1 d . . . . .
C26 C 0.55440(14) 0.66685(5) 0.42193(13) 0.0274(3) Uani 1 1 d . . . . .
C27 C 0.66560(15) 0.67920(6) 0.39826(15) 0.0351(4) Uani 1 1 d . . . . .
H27 H 0.6721 0.6949 0.3377 0.042 Uiso 1 1 calc R U . . .
C28 C 0.76644(16) 0.66908(6) 0.46131(16) 0.0418(5) Uani 1 1 d . . . . .
H28 H 0.8413 0.6788 0.4460 0.050 Uiso 1 1 calc R U . . .
C29 C 0.75759(16) 0.64474(6) 0.54683(16) 0.0403(5) Uani 1 1 d . . . . .
H29 H 0.8272 0.6374 0.5894 0.048 Uiso 1 1 calc R U . . .
C30 C 0.64871(15) 0.63079(5) 0.57186(14) 0.0324(4) Uani 1 1 d . . . . .
C31 C 0.45009(14) 0.67970(5) 0.34938(12) 0.0263(3) Uani 1 1 d . . . . .
C32 C 0.37597(14) 0.71093(5) 0.37676(13) 0.0279(4) Uani 1 1 d . . . . .
C33 C 0.28669(15) 0.72513(6) 0.30396(14) 0.0342(4) Uani 1 1 d . . . . .
H33 H 0.2354 0.7461 0.3230 0.041 Uiso 1 1 calc R U . . .
C34 C 0.27083(16) 0.70953(6) 0.20499(15) 0.0380(4) Uani 1 1 d . . . . .
C35 C 0.34421(17) 0.67824(6) 0.17974(14) 0.0383(4) Uani 1 1 d . . . . .
H35 H 0.3336 0.6670 0.1121 0.046 Uiso 1 1 calc R U . . .
C36 C 0.43327(16) 0.66267(5) 0.25042(14) 0.0317(4) Uani 1 1 d . . . . .
C37 C 0.39295(16) 0.73021(5) 0.48172(14) 0.0348(4) Uani 1 1 d . . . . .
H37A H 0.3734 0.7103 0.5336 0.052 Uiso 1 1 calc R U . . .
H37B H 0.3412 0.7541 0.4833 0.052 Uiso 1 1 calc R U . . .
H37C H 0.4754 0.7388 0.4969 0.052 Uiso 1 1 calc R U . . .
C38 C 0.17742(19) 0.72692(8) 0.12551(18) 0.0588(6) Uani 1 1 d . . . . .
H38A H 0.1145 0.7395 0.1607 0.088 Uiso 1 1 calc R U . . .
H38B H 0.1442 0.7049 0.0803 0.088 Uiso 1 1 calc R U . . .
H38C H 0.2131 0.7476 0.0841 0.088 Uiso 1 1 calc R U . . .
C39 C 0.50769(19) 0.62749(6) 0.21981(16) 0.0443(5) Uani 1 1 d . . . . .
H39A H 0.5080 0.6057 0.2716 0.066 Uiso 1 1 calc R U . . .
H39B H 0.5887 0.6370 0.2155 0.066 Uiso 1 1 calc R U . . .
H39C H 0.4748 0.6169 0.1524 0.066 Uiso 1 1 calc R U . . .
C40 C 0.64618(15) 0.60081(6) 0.65835(14) 0.0355(4) Uani 1 1 d . . . . .
C41 C 0.65613(17) 0.61374(7) 0.76116(16) 0.0461(5) Uani 1 1 d . . . . .
C42 C 0.6540(2) 0.58399(9) 0.83833(17) 0.0598(7) Uani 1 1 d . . . . .
H42 H 0.6608 0.5924 0.9085 0.072 Uiso 1 1 calc R U . . .
C43 C 0.64243(19) 0.54255(9) 0.8159(2) 0.0618(7) Uani 1 1 d . . . . .
C44 C 0.63499(18) 0.53096(7) 0.7146(2) 0.0544(6) Uani 1 1 d . . . . .
H44 H 0.6272 0.5027 0.6982 0.065 Uiso 1 1 calc R U . . .
C45 C 0.63838(17) 0.55889(6) 0.63490(16) 0.0429(5) Uani 1 1 d . . . . .
C46 C 0.6683(2) 0.65812(8) 0.78755(18) 0.0623(7) Uani 1 1 d . . . . .
H46A H 0.7501 0.6668 0.7833 0.093 Uiso 1 1 calc R U . . .
H46B H 0.6476 0.6626 0.8578 0.093 Uiso 1 1 calc R U . . .
H46C H 0.6154 0.6741 0.7388 0.093 Uiso 1 1 calc R U . . .
C47 C 0.6408(2) 0.51130(10) 0.9017(2) 0.0896(11) Uani 1 1 d . . . . .
H47A H 0.6136 0.5244 0.9627 0.134 Uiso 1 1 calc R U . . .
H47B H 0.7207 0.5005 0.9193 0.134 Uiso 1 1 calc R U . . .
H47C H 0.5873 0.4889 0.8787 0.134 Uiso 1 1 calc R U . . .
C48 C 0.6403(2) 0.54372(7) 0.52635(18) 0.0529(6) Uani 1 1 d . . . . .
H48A H 0.6174 0.5148 0.5228 0.079 Uiso 1 1 calc R U . . .
H48B H 0.7201 0.5467 0.5055 0.079 Uiso 1 1 calc R U . . .
H48C H 0.5847 0.5597 0.4799 0.079 Uiso 1 1 calc R U . . .
C49 C 0.21154(15) 0.60815(5) 0.45423(14) 0.0323(4) Uani 1 1 d . . . . .
C50 C 0.14221(17) 0.58812(6) 0.35994(15) 0.0389(4) Uani 1 1 d . . . . .
C51 C 0.0215(2) 0.60808(8) 0.3344(2) 0.0694(8) Uani 1 1 d . . . . .
H51A H -0.0236 0.6061 0.3943 0.104 Uiso 1 1 calc R U . . .
H51B H -0.0213 0.5940 0.2754 0.104 Uiso 1 1 calc R U . . .
H51C H 0.0320 0.6369 0.3171 0.104 Uiso 1 1 calc R U . . .
C52 C 0.2119(2) 0.58992(8) 0.26615(17) 0.0629(7) Uani 1 1 d . . . . .
H52A H 0.2902 0.5779 0.2839 0.094 Uiso 1 1 calc R U . . .
H52B H 0.2203 0.6185 0.2453 0.094 Uiso 1 1 calc R U . . .
H52C H 0.1698 0.5745 0.2091 0.094 Uiso 1 1 calc R U . . .
C53 C 0.12318(19) 0.54322(6) 0.38524(17) 0.0479(5) Uani 1 1 d . . . . .
H53A H 0.0787 0.5412 0.4455 0.072 Uiso 1 1 calc R U . . .
H53B H 0.1999 0.5297 0.4004 0.072 Uiso 1 1 calc R U . . .
H53C H 0.0787 0.5298 0.3260 0.072 Uiso 1 1 calc R U . . .
C54 C 1.0593(2) 0.46400(9) 1.0112(3) 0.0748(8) Uani 1 1 d . . . . .
H54 H 1.1000 0.4386 1.0189 0.090 Uiso 1 1 calc R U . . .
C55 C 1.0280(3) 0.47990(10) 0.9149(2) 0.0738(8) Uani 1 1 d . . . . .
H55 H 1.0486 0.4660 0.8553 0.089 Uiso 1 1 calc R U . . .
C56 C 0.9681(3) 0.51533(11) 0.9052(2) 0.0806(9) Uani 1 1 d . . . . .
H56 H 0.9447 0.5260 0.8383 0.097 Uiso 1 1 calc R U . . .


#==============================================================================

# MOLECULAR GEOMETRY

_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
P1 C49 1.6806(19) . ?
P1 N1 1.7181(15) . ?
P2 N2 1.7014(14) . ?
P2 N1 1.7315(15) . ?
P2 P3 2.2166(7) . ?
P3 N2 1.7582(14) . ?
P3 C49 1.8015(18) . ?
N1 C1 1.456(2) . ?
N2 C25 1.427(2) . ?
C1 C2 1.400(2) . ?
C1 C6 1.400(2) . ?
C2 C3 1.400(3) . ?
C2 C16 1.492(2) . ?
C3 C4 1.373(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.495(3) . ?
C7 C8 1.396(3) . ?
C7 C12 1.401(3) . ?
C8 C9 1.384(3) . ?
C8 C13 1.510(3) . ?
C9 C10 1.378(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.389(3) . ?
C10 C14 1.503(3) . ?
C11 C12 1.383(3) . ?
C11 H11 0.9500 . ?
C12 C15 1.506(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.400(2) . ?
C16 C17 1.402(3) . ?
C17 C18 1.387(3) . ?
C17 C22 1.506(3) . ?
C18 C19 1.386(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.386(3) . ?
C19 C23 1.508(3) . ?
C20 C21 1.388(3) . ?
C20 H20 0.9500 . ?
C21 C24 1.501(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.398(2) . ?
C25 C30 1.409(2) . ?
C26 C27 1.394(2) . ?
C26 C31 1.498(2) . ?
C27 C28 1.380(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.381(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.391(3) . ?
C29 H29 0.9500 . ?
C30 C40 1.496(2) . ?
C31 C32 1.394(2) . ?
C31 C36 1.398(2) . ?
C32 C33 1.395(2) . ?
C32 C37 1.499(2) . ?
C33 C34 1.380(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.382(3) . ?
C34 C38 1.515(3) . ?
C35 C36 1.393(3) . ?
C35 H35 0.9500 . ?
C36 C39 1.506(3) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.397(3) . ?
C40 C45 1.405(3) . ?
C41 C42 1.400(3) . ?
C41 C46 1.494(3) . ?
C42 C43 1.389(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.366(4) . ?
C43 C47 1.516(3) . ?
C44 C45 1.386(3) . ?
C44 H44 0.9500 . ?
C45 C48 1.500(3) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.535(2) . ?
C50 C53 1.525(3) . ?
C50 C52 1.525(3) . ?
C50 C51 1.526(3) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C56 1.346(4) 3_767 ?
C54 C55 1.370(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.343(4) . ?
C55 H55 0.9500 . ?
C56 C54 1.346(4) 3_767 ?
C56 H56 0.9500 . ?

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
C49 P1 N1 103.02(8) . . ?
N2 P2 N1 100.32(7) . . ?
N2 P2 P3 51.29(5) . . ?
N1 P2 P3 97.61(5) . . ?
N2 P3 C49 99.61(7) . . ?
N2 P3 P2 49.04(5) . . ?
C49 P3 P2 96.80(6) . . ?
C1 N1 P1 112.73(11) . . ?
C1 N1 P2 120.46(11) . . ?
P1 N1 P2 121.21(8) . . ?
C25 N2 P2 132.57(11) . . ?
C25 N2 P3 128.15(11) . . ?
P2 N2 P3 79.67(6) . . ?
C2 C1 C6 120.09(16) . . ?
C2 C1 N1 119.53(16) . . ?
C6 C1 N1 120.30(16) . . ?
C1 C2 C3 118.74(17) . . ?
C1 C2 C16 125.43(16) . . ?
C3 C2 C16 115.75(16) . . ?
C4 C3 C2 121.19(19) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C3 C4 C5 119.69(19) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 120.99(19) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 119.14(18) . . ?
C5 C6 C7 118.25(17) . . ?
C1 C6 C7 122.55(16) . . ?
C8 C7 C12 120.23(18) . . ?
C8 C7 C6 118.59(18) . . ?
C12 C7 C6 121.13(17) . . ?
C9 C8 C7 118.76(19) . . ?
C9 C8 C13 119.45(19) . . ?
C7 C8 C13 121.79(19) . . ?
C10 C9 C8 122.32(19) . . ?
C10 C9 H9 118.8 . . ?
C8 C9 H9 118.8 . . ?
C9 C10 C11 117.85(18) . . ?
C9 C10 C14 120.5(2) . . ?
C11 C10 C14 121.6(2) . . ?
C12 C11 C10 122.06(19) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C11 C12 C7 118.62(18) . . ?
C11 C12 C15 120.45(18) . . ?
C7 C12 C15 120.76(17) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 119.65(17) . . ?
C21 C16 C2 119.10(16) . . ?
C17 C16 C2 120.59(16) . . ?
C18 C17 C16 118.95(18) . . ?
C18 C17 C22 120.14(18) . . ?
C16 C17 C22 120.91(18) . . ?
C19 C18 C17 122.32(19) . . ?
C19 C18 H18 118.8 . . ?
C17 C18 H18 118.8 . . ?
C18 C19 C20 117.80(18) . . ?
C18 C19 C23 121.2(2) . . ?
C20 C19 C23 121.0(2) . . ?
C19 C20 C21 121.87(18) . . ?
C19 C20 H20 119.1 . . ?
C21 C20 H20 119.1 . . ?
C20 C21 C16 119.41(18) . . ?
C20 C21 C24 119.92(18) . . ?
C16 C21 C24 120.64(17) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C30 120.09(15) . . ?
C26 C25 N2 118.24(14) . . ?
C30 C25 N2 121.67(15) . . ?
C27 C26 C25 119.09(15) . . ?
C27 C26 C31 117.24(15) . . ?
C25 C26 C31 123.67(15) . . ?
C28 C27 C26 121.16(17) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C27 C28 C29 119.43(17) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 H28 120.3 . . ?
C28 C29 C30 121.32(17) . . ?
C28 C29 H29 119.3 . . ?
C30 C29 H29 119.3 . . ?
C29 C30 C25 118.75(16) . . ?
C29 C30 C40 118.63(15) . . ?
C25 C30 C40 122.47(16) . . ?
C32 C31 C36 119.94(15) . . ?
C32 C31 C26 120.34(15) . . ?
C36 C31 C26 119.49(15) . . ?
C31 C32 C33 119.17(16) . . ?
C31 C32 C37 121.15(15) . . ?
C33 C32 C37 119.66(15) . . ?
C34 C33 C32 121.77(17) . . ?
C34 C33 H33 119.1 . . ?
C32 C33 H33 119.1 . . ?
C33 C34 C35 118.19(16) . . ?
C33 C34 C38 120.88(19) . . ?
C35 C34 C38 120.91(19) . . ?
C34 C35 C36 121.99(18) . . ?
C34 C35 H35 119.0 . . ?
C36 C35 H35 119.0 . . ?
C35 C36 C31 118.91(16) . . ?
C35 C36 C39 119.67(17) . . ?
C31 C36 C39 121.42(16) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C45 120.03(18) . . ?
C41 C40 C30 121.16(18) . . ?
C45 C40 C30 118.76(17) . . ?
C40 C41 C42 118.1(2) . . ?
C40 C41 C46 120.69(19) . . ?
C42 C41 C46 121.2(2) . . ?
C43 C42 C41 122.3(2) . . ?
C43 C42 H42 118.8 . . ?
C41 C42 H42 118.8 . . ?
C44 C43 C42 117.9(2) . . ?
C44 C43 C47 121.4(3) . . ?
C42 C43 C47 120.7(3) . . ?
C43 C44 C45 122.5(2) . . ?
C43 C44 H44 118.8 . . ?
C45 C44 H44 118.8 . . ?
C44 C45 C40 119.1(2) . . ?
C44 C45 C48 119.5(2) . . ?
C40 C45 C48 121.37(18) . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 P1 121.66(13) . . ?
C50 C49 P3 118.30(13) . . ?
P1 C49 P3 119.94(10) . . ?
C53 C50 C52 107.92(18) . . ?
C53 C50 C51 108.27(18) . . ?
C52 C50 C51 109.9(2) . . ?
C53 C50 C49 108.09(16) . . ?
C52 C50 C49 110.92(16) . . ?
C51 C50 C49 111.59(17) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C56 C54 C55 119.3(3) 3_767 . ?
C56 C54 H54 120.3 3_767 . ?
C55 C54 H54 120.3 . . ?
C56 C55 C54 119.6(3) . . ?
C56 C55 H55 120.2 . . ?
C54 C55 H55 120.2 . . ?
C55 C56 C54 121.0(3) . 3_767 ?
C55 C56 H56 119.5 . . ?
C54 C56 H56 119.5 3_767 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C49 P1 N1 C1 -141.14(12) . . . . ?
C49 P1 N1 P2 12.56(12) . . . . ?
N2 P2 N1 C1 -164.33(12) . . . . ?
P3 P2 N1 C1 143.77(12) . . . . ?
N2 P2 N1 P1 43.97(10) . . . . ?
P3 P2 N1 P1 -7.94(9) . . . . ?
N1 P2 N2 C25 135.22(15) . . . . ?
P3 P2 N2 C25 -133.24(17) . . . . ?
N1 P2 N2 P3 -91.53(6) . . . . ?
C49 P3 N2 C25 -132.33(14) . . . . ?
P2 P3 N2 C25 136.99(16) . . . . ?
C49 P3 N2 P2 90.69(7) . . . . ?
P1 N1 C1 C2 -81.03(18) . . . . ?
P2 N1 C1 C2 125.05(16) . . . . ?
P1 N1 C1 C6 95.71(18) . . . . ?
P2 N1 C1 C6 -58.2(2) . . . . ?
C6 C1 C2 C3 -4.5(3) . . . . ?
N1 C1 C2 C3 172.29(17) . . . . ?
C6 C1 C2 C16 172.04(17) . . . . ?
N1 C1 C2 C16 -11.2(3) . . . . ?
C1 C2 C3 C4 1.9(3) . . . . ?
C16 C2 C3 C4 -175.0(2) . . . . ?
C2 C3 C4 C5 1.5(4) . . . . ?
C3 C4 C5 C6 -2.2(4) . . . . ?
C4 C5 C6 C1 -0.4(3) . . . . ?
C4 C5 C6 C7 177.0(2) . . . . ?
C2 C1 C6 C5 3.7(3) . . . . ?
N1 C1 C6 C5 -172.99(18) . . . . ?
C2 C1 C6 C7 -173.49(17) . . . . ?
N1 C1 C6 C7 9.8(3) . . . . ?
C5 C6 C7 C8 -84.3(2) . . . . ?
C1 C6 C7 C8 93.0(2) . . . . ?
C5 C6 C7 C12 93.1(2) . . . . ?
C1 C6 C7 C12 -89.7(2) . . . . ?
C12 C7 C8 C9 3.3(3) . . . . ?
C6 C7 C8 C9 -179.29(17) . . . . ?
C12 C7 C8 C13 -175.74(18) . . . . ?
C6 C7 C8 C13 1.7(3) . . . . ?
C7 C8 C9 C10 0.0(3) . . . . ?
C13 C8 C9 C10 179.12(19) . . . . ?
C8 C9 C10 C11 -1.8(3) . . . . ?
C8 C9 C10 C14 -179.76(19) . . . . ?
C9 C10 C11 C12 0.3(3) . . . . ?
C14 C10 C11 C12 178.19(19) . . . . ?
C10 C11 C12 C7 3.0(3) . . . . ?
C10 C11 C12 C15 -172.34(18) . . . . ?
C8 C7 C12 C11 -4.8(3) . . . . ?
C6 C7 C12 C11 177.91(17) . . . . ?
C8 C7 C12 C15 170.52(17) . . . . ?
C6 C7 C12 C15 -6.8(3) . . . . ?
C1 C2 C16 C21 -80.3(2) . . . . ?
C3 C2 C16 C21 96.3(2) . . . . ?
C1 C2 C16 C17 109.1(2) . . . . ?
C3 C2 C16 C17 -74.3(2) . . . . ?
C21 C16 C17 C18 -0.6(3) . . . . ?
C2 C16 C17 C18 170.01(16) . . . . ?
C21 C16 C17 C22 -179.66(17) . . . . ?
C2 C16 C17 C22 -9.1(3) . . . . ?
C16 C17 C18 C19 -0.3(3) . . . . ?
C22 C17 C18 C19 178.76(18) . . . . ?
C17 C18 C19 C20 0.9(3) . . . . ?
C17 C18 C19 C23 -178.39(18) . . . . ?
C18 C19 C20 C21 -0.5(3) . . . . ?
C23 C19 C20 C21 178.74(18) . . . . ?
C19 C20 C21 C16 -0.3(3) . . . . ?
C19 C20 C21 C24 -178.18(18) . . . . ?
C17 C16 C21 C20 0.9(3) . . . . ?
C2 C16 C21 C20 -169.81(16) . . . . ?
C17 C16 C21 C24 178.72(17) . . . . ?
C2 C16 C21 C24 8.0(3) . . . . ?
P2 N2 C25 C26 -151.59(14) . . . . ?
P3 N2 C25 C26 94.09(18) . . . . ?
P2 N2 C25 C30 29.2(2) . . . . ?
P3 N2 C25 C30 -85.10(19) . . . . ?
C30 C25 C26 C27 -2.6(3) . . . . ?
N2 C25 C26 C27 178.18(15) . . . . ?
C30 C25 C26 C31 176.95(16) . . . . ?
N2 C25 C26 C31 -2.3(2) . . . . ?
C25 C26 C27 C28 -1.0(3) . . . . ?
C31 C26 C27 C28 179.36(17) . . . . ?
C26 C27 C28 C29 3.0(3) . . . . ?
C27 C28 C29 C30 -1.2(3) . . . . ?
C28 C29 C30 C25 -2.4(3) . . . . ?
C28 C29 C30 C40 173.27(19) . . . . ?
C26 C25 C30 C29 4.3(3) . . . . ?
N2 C25 C30 C29 -176.53(16) . . . . ?
C26 C25 C30 C40 -171.19(17) . . . . ?
N2 C25 C30 C40 8.0(3) . . . . ?
C27 C26 C31 C32 -105.21(19) . . . . ?
C25 C26 C31 C32 75.2(2) . . . . ?
C27 C26 C31 C36 69.3(2) . . . . ?
C25 C26 C31 C36 -110.30(19) . . . . ?
C36 C31 C32 C33 -0.9(2) . . . . ?
C26 C31 C32 C33 173.58(15) . . . . ?
C36 C31 C32 C37 -179.08(16) . . . . ?
C26 C31 C32 C37 -4.6(2) . . . . ?
C31 C32 C33 C34 -1.0(3) . . . . ?
C37 C32 C33 C34 177.22(17) . . . . ?
C32 C33 C34 C35 1.8(3) . . . . ?
C32 C33 C34 C38 -176.77(18) . . . . ?
C33 C34 C35 C36 -0.7(3) . . . . ?
C38 C34 C35 C36 177.84(18) . . . . ?
C34 C35 C36 C31 -1.1(3) . . . . ?
C34 C35 C36 C39 177.75(17) . . . . ?
C32 C31 C36 C35 1.9(3) . . . . ?
C26 C31 C36 C35 -172.61(16) . . . . ?
C32 C31 C36 C39 -176.93(16) . . . . ?
C26 C31 C36 C39 8.6(2) . . . . ?
C29 C30 C40 C41 81.8(2) . . . . ?
C25 C30 C40 C41 -102.7(2) . . . . ?
C29 C30 C40 C45 -95.6(2) . . . . ?
C25 C30 C40 C45 79.8(2) . . . . ?
C45 C40 C41 C42 -2.1(3) . . . . ?
C30 C40 C41 C42 -179.49(17) . . . . ?
C45 C40 C41 C46 178.05(19) . . . . ?
C30 C40 C41 C46 0.7(3) . . . . ?
C40 C41 C42 C43 0.0(3) . . . . ?
C46 C41 C42 C43 179.8(2) . . . . ?
C41 C42 C43 C44 1.2(3) . . . . ?
C41 C42 C43 C47 179.9(2) . . . . ?
C42 C43 C44 C45 -0.1(3) . . . . ?
C47 C43 C44 C45 -178.8(2) . . . . ?
C43 C44 C45 C40 -2.0(3) . . . . ?
C43 C44 C45 C48 174.7(2) . . . . ?
C41 C40 C45 C44 3.1(3) . . . . ?
C30 C40 C45 C44 -179.46(17) . . . . ?
C41 C40 C45 C48 -173.55(18) . . . . ?
C30 C40 C45 C48 3.9(3) . . . . ?
N1 P1 C49 C50 164.15(14) . . . . ?
N1 P1 C49 P3 -12.04(13) . . . . ?
N2 P3 C49 C50 141.61(14) . . . . ?
P2 P3 C49 C50 -168.89(13) . . . . ?
N2 P3 C49 P1 -42.08(12) . . . . ?
P2 P3 C49 P1 7.43(11) . . . . ?
P1 C49 C50 C53 -119.24(17) . . . . ?
P3 C49 C50 C53 57.0(2) . . . . ?
P1 C49 C50 C52 122.64(18) . . . . ?
P3 C49 C50 C52 -61.1(2) . . . . ?
P1 C49 C50 C51 -0.3(2) . . . . ?
P3 C49 C50 C51 175.95(16) . . . . ?
C56 C54 C55 C56 -1.5(5) 3_767 . . . ?
C54 C55 C56 C54 1.6(5) . . . 3_767 ?

_refine_diff_density_max         0.351
_refine_diff_density_min         -0.375
_refine_diff_density_rms         0.053

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/. 
# 
# Audit and citation data items have may been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ah169a
_database_code_depnum_ccdc_archive 'CCDC 1031068'
_audit_update_record             
;
2014-10-26 deposited with the CCDC.
2014-11-26 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2013

#==============================================================================

# CHEMICAL DATA

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C53 H59 Au2 Cl2 N2 P3, 3.5 (C6 H6)'
_chemical_formula_sum            'C63.50 H69.50 Au2 Cl2 N2 P3'
_chemical_formula_weight         1418.45

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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

#==============================================================================

# CRYSTAL DATA

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   12.4677(4)
_cell_length_b                   21.4096(8)
_cell_length_c                   22.9115(8)
_cell_angle_alpha                75.619(2)
_cell_angle_beta                 89.277(2)
_cell_angle_gamma                82.235(2)
_cell_volume                     5868.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9504
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      29.32

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_F_000             2806
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.670
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    5.207
_shelx_estimated_absorpt_T_min   0.128
_shelx_estimated_absorpt_T_max   0.745
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4130
_exptl_absorpt_correction_T_max  0.7469
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'

#==============================================================================

# EXPERIMENTAL DATA

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            230798
_diffrn_reflns_av_unetI/netI     0.0816
_diffrn_reflns_av_R_equivalents  0.0676
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         1.649
_diffrn_reflns_theta_max         34.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             47869
_reflns_number_gt                30470
_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       'Bruker Apex V7.51A'
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-2013

#==============================================================================

# REFINEMENT DATA 

_refine_special_details          
;
 All H atoms were positioned geometrically and refined using a riding model, 
 with C---H = 0.98 (methyl groups), 0.99Å (methylene groups), 
 1.00Å (methine groups) or 0.95 Å (aryl CH) and with Uiso(H) = 
 1.5 times Ueq(C) (methyl groups) or with Uiso(H) = 1.2 times 
 Ueq(C) (methylene  groups, aryl CH, methine groups). Torsion angles 
 of all methyl groups were allowed to refine. 
 The disordered benzene molecules were split into two parts, 
 which were fixed in  their geometry (AFIX 66). 
 The disordered terphenyl moiety was split into two parts, 
 which were set to be equal (SAME 0.01, EADP).

 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 > 2σ(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     
'w=1/[σ²(Fo²)+(0.0369P)²+4.4611P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         47869
_refine_ls_number_parameters     1343
_refine_ls_number_restraints     64
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0440
_refine_ls_wR_factor_ref         0.1006
_refine_ls_wR_factor_gt          0.0856
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

#==============================================================================

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

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 0.92950(2) 0.21481(2) 0.15048(2) 0.02574(3) Uani 1 1 d . . . . .
Au2 Au 1.20294(2) 0.12872(2) 0.20198(2) 0.02915(3) Uani 1 1 d . . . . .
Cl1 Cl 1.02280(9) 0.23640(7) 0.05876(5) 0.0593(3) Uani 1 1 d . . . . .
Cl2 Cl 1.35401(8) 0.07678(5) 0.16861(5) 0.0481(3) Uani 1 1 d . . . . .
P1 P 0.84212(7) 0.17855(4) 0.24188(4) 0.01966(17) Uani 1 1 d . . . . .
P2 P 1.05280(7) 0.17829(4) 0.23230(4) 0.02074(17) Uani 1 1 d . . . . .
P3 P 0.93709(7) 0.28293(4) 0.28814(4) 0.02225(18) Uani 1 1 d . . . . .
N1 N 0.8332(2) 0.24308(12) 0.27636(11) 0.0189(5) Uani 1 1 d . . . . .
N2 N 0.9638(2) 0.13522(12) 0.27481(12) 0.0210(6) Uani 1 1 d . . . . .
C1 C 0.7269(2) 0.27677(15) 0.28677(15) 0.0208(7) Uani 1 1 d . . . . .
C2 C 0.6504(3) 0.29705(15) 0.23966(15) 0.0220(7) Uani 1 1 d . . . . .
C3 C 0.5513(3) 0.33285(16) 0.24808(16) 0.0267(7) Uani 1 1 d . . . . .
H3 H 0.4991 0.3470 0.2160 0.032 Uiso 1 1 calc R U . . .
C4 C 0.5291(3) 0.34760(16) 0.30257(17) 0.0282(8) Uani 1 1 d . . . . .
H4 H 0.4621 0.3723 0.3079 0.034 Uiso 1 1 calc R U . . .
C5 C 0.6041(3) 0.32637(16) 0.34914(16) 0.0269(7) Uani 1 1 d . . . . .
H5 H 0.5876 0.3366 0.3866 0.032 Uiso 1 1 calc R U . . .
C6 C 0.7045(3) 0.29005(16) 0.34309(15) 0.0230(7) Uani 1 1 d . . . . .
C7 C 0.6672(3) 0.27811(16) 0.18164(15) 0.0225(7) Uani 1 1 d . . . . .
C8 C 0.7350(3) 0.31020(17) 0.13730(16) 0.0270(8) Uani 1 1 d . . . . .
C9 C 0.7595(3) 0.28532(18) 0.08658(16) 0.0315(8) Uani 1 1 d . . . . .
H9 H 0.8078 0.3051 0.0576 0.038 Uiso 1 1 calc R U . . .
C10 C 0.7134(3) 0.23160(19) 0.07832(16) 0.0327(8) Uani 1 1 d . . . . .
C11 C 0.6397(3) 0.20533(19) 0.11956(17) 0.0329(8) Uani 1 1 d . . . . .
H11 H 0.6043 0.1711 0.1127 0.039 Uiso 1 1 calc R U . . .
C12 C 0.6161(3) 0.22789(17) 0.17101(16) 0.0283(8) Uani 1 1 d . . . . .
C13 C 0.7808(3) 0.36949(18) 0.14336(17) 0.0338(9) Uani 1 1 d . . . . .
H13A H 0.8296 0.3826 0.1100 0.051 Uiso 1 1 calc R U . . .
H13B H 0.8211 0.3597 0.1817 0.051 Uiso 1 1 calc R U . . .
H13C H 0.7218 0.4050 0.1423 0.051 Uiso 1 1 calc R U . . .
C14 C 0.7411(4) 0.2054(2) 0.02396(18) 0.0451(11) Uani 1 1 d . . . . .
H14A H 0.6964 0.2315 -0.0107 0.068 Uiso 1 1 calc R U . . .
H14B H 0.7273 0.1600 0.0323 0.068 Uiso 1 1 calc R U . . .
H14C H 0.8178 0.2075 0.0149 0.068 Uiso 1 1 calc R U . . .
C15 C 0.5359(3) 0.19608(19) 0.21524(19) 0.0380(9) Uani 1 1 d . . . . .
H15A H 0.4740 0.2286 0.2182 0.057 Uiso 1 1 calc R U . . .
H15B H 0.5712 0.1783 0.2550 0.057 Uiso 1 1 calc R U . . .
H15C H 0.5107 0.1608 0.2011 0.057 Uiso 1 1 calc R U . . .
C16 C 0.7741(3) 0.26646(16) 0.39943(15) 0.0233(7) Uani 1 1 d . . . . .
C17 C 0.7760(3) 0.20199(16) 0.43373(15) 0.0243(7) Uani 1 1 d . . . . .
C18 C 0.8195(3) 0.18404(17) 0.49180(15) 0.0264(7) Uani 1 1 d . . . . .
H18 H 0.8178 0.1408 0.5152 0.032 Uiso 1 1 calc R U . . .
C19 C 0.8655(3) 0.22711(18) 0.51694(16) 0.0300(8) Uani 1 1 d . . . . .
C20 C 0.8669(3) 0.28963(18) 0.48190(16) 0.0301(8) Uani 1 1 d . . . . .
H20 H 0.8999 0.3194 0.4980 0.036 Uiso 1 1 calc R U . . .
C21 C 0.8216(3) 0.31066(17) 0.42378(16) 0.0281(8) Uani 1 1 d . . . . .
C22 C 0.7332(3) 0.15166(18) 0.40813(17) 0.0327(8) Uani 1 1 d . . . . .
H22A H 0.6726 0.1725 0.3802 0.049 Uiso 1 1 calc R U . . .
H22B H 0.7084 0.1182 0.4410 0.049 Uiso 1 1 calc R U . . .
H22C H 0.7909 0.1315 0.3866 0.049 Uiso 1 1 calc R U . . .
C23 C 0.9136(3) 0.2064(2) 0.57980(18) 0.0429(10) Uani 1 1 d . . . . .
H23A H 0.9921 0.1948 0.5780 0.064 Uiso 1 1 calc R U . . .
H23B H 0.8818 0.1687 0.6029 0.064 Uiso 1 1 calc R U . . .
H23C H 0.8982 0.2424 0.5994 0.064 Uiso 1 1 calc R U . . .
C24 C 0.8237(3) 0.38038(17) 0.38916(18) 0.0343(9) Uani 1 1 d . . . . .
H24A H 0.8684 0.4014 0.4113 0.052 Uiso 1 1 calc R U . . .
H24B H 0.7498 0.4036 0.3843 0.052 Uiso 1 1 calc R U . . .
H24C H 0.8543 0.3813 0.3494 0.052 Uiso 1 1 calc R U . . .
C25 C 0.9715(3) 0.07335(15) 0.31794(14) 0.0212(7) Uani 1 1 d . . . . .
C26 C 1.0462(3) 0.05543(16) 0.36652(15) 0.0254(7) Uani 1 1 d . . . . .
C27 C 1.0359(3) -0.00013(19) 0.41202(17) 0.0385(9) Uani 1 1 d . . . . .
H27 H 1.0837 -0.0113 0.4461 0.046 Uiso 1 1 calc R U . . .
C28 C 0.9587(4) -0.03920(19) 0.40905(18) 0.0419(10) Uani 1 1 d . . . . .
H28 H 0.9489 -0.0748 0.4419 0.050 Uiso 1 1 calc R U . . .
C29 C 0.8960(3) -0.02575(17) 0.35758(18) 0.0347(9) Uani 1 1 d . . . . .
H29 H 0.8477 -0.0553 0.3537 0.042 Uiso 1 1 calc R U . . .
C30 C 0.9004(3) 0.02926(16) 0.31105(15) 0.0243(7) Uani 1 1 d . . . . .
C31 C 1.1458(3) 0.08755(17) 0.36888(15) 0.0266(8) Uani 1 1 d . . . . .
C32 C 1.2423(3) 0.05967(19) 0.34742(16) 0.0326(9) Uani 1 1 d . . . . .
C33 C 1.3365(3) 0.0864(2) 0.35167(17) 0.0402(10) Uani 1 1 d . . . . .
H33 H 1.4009 0.0696 0.3350 0.048 Uiso 1 1 calc R U . . .
C34 C 1.3396(3) 0.1367(2) 0.37929(17) 0.0409(10) Uani 1 1 d . . . . .
C35 C 1.2442(3) 0.1609(2) 0.40357(17) 0.0374(9) Uani 1 1 d . . . . .
H35 H 1.2456 0.1941 0.4243 0.045 Uiso 1 1 calc R U . . .
C36 C 1.1474(3) 0.13725(18) 0.39785(15) 0.0289(8) Uani 1 1 d . . . . .
C37 C 1.2478(3) -0.0003(2) 0.32366(19) 0.0447(11) Uani 1 1 d . . . . .
H37A H 1.3101 -0.0021 0.2973 0.067 Uiso 1 1 calc R U . . .
H37B H 1.1812 0.0015 0.3008 0.067 Uiso 1 1 calc R U . . .
H37C H 1.2559 -0.0391 0.3575 0.067 Uiso 1 1 calc R U . . .
C38 C 1.4431(3) 0.1645(3) 0.3833(2) 0.0582(14) Uani 1 1 d . . . . .
H38A H 1.5030 0.1289 0.3952 0.087 Uiso 1 1 calc R U . . .
H38B H 1.4359 0.1902 0.4134 0.087 Uiso 1 1 calc R U . . .
H38C H 1.4576 0.1924 0.3439 0.087 Uiso 1 1 calc R U . . .
C39 C 1.0462(3) 0.1636(2) 0.42579(18) 0.0392(10) Uani 1 1 d . . . . .
H39A H 0.9913 0.1842 0.3941 0.059 Uiso 1 1 calc R U . . .
H39B H 1.0635 0.1959 0.4467 0.059 Uiso 1 1 calc R U . . .
H39C H 1.0181 0.1279 0.4547 0.059 Uiso 1 1 calc R U . . .
C40 C 0.8353(3) 0.03650(15) 0.25473(15) 0.0233(7) Uani 1 1 d . . . . .
C41 C 0.7206(3) 0.04011(16) 0.25739(17) 0.0281(8) Uani 1 1 d . . . . .
C42 C 0.6625(3) 0.03981(17) 0.20644(18) 0.0328(8) Uani 1 1 d . . . . .
H42 H 0.5860 0.0419 0.2086 0.039 Uiso 1 1 calc R U . . .
C43 C 0.7114(3) 0.03652(18) 0.15219(18) 0.0345(9) Uani 1 1 d . . . . .
C44 C 0.8227(3) 0.03328(17) 0.15020(17) 0.0319(8) Uani 1 1 d . . . . .
H44 H 0.8573 0.0320 0.1132 0.038 Uiso 1 1 calc R U . . .
C45 C 0.8867(3) 0.03175(16) 0.20063(16) 0.0278(8) Uani 1 1 d . . . . .
C46 C 0.6611(3) 0.0442(2) 0.31395(19) 0.0395(10) Uani 1 1 d . . . . .
H46A H 0.6885 0.0767 0.3313 0.059 Uiso 1 1 calc R U . . .
H46B H 0.6724 0.0017 0.3431 0.059 Uiso 1 1 calc R U . . .
H46C H 0.5836 0.0570 0.3045 0.059 Uiso 1 1 calc R U . . .
C47 C 0.6456(4) 0.0348(2) 0.0984(2) 0.0498(11) Uani 1 1 d . . . . .
H47A H 0.6941 0.0242 0.0672 0.075 Uiso 1 1 calc R U . . .
H47B H 0.6027 0.0775 0.0826 0.075 Uiso 1 1 calc R U . . .
H47C H 0.5971 0.0016 0.1103 0.075 Uiso 1 1 calc R U . . .
C48 C 1.0071(3) 0.02138(19) 0.19585(18) 0.0354(9) Uani 1 1 d . . . . .
H48A H 1.0264 0.0044 0.1606 0.053 Uiso 1 1 calc R U . . .
H48B H 1.0387 -0.0099 0.2323 0.053 Uiso 1 1 calc R U . . .
H48C H 1.0352 0.0628 0.1915 0.053 Uiso 1 1 calc R U . . .
C49 C 1.0476(3) 0.25208(16) 0.25556(15) 0.0225(7) Uani 1 1 d . . . . .
C50 C 1.1379(3) 0.29657(17) 0.23810(17) 0.0285(8) Uani 1 1 d . . . . .
C51 C 1.1133(4) 0.3586(2) 0.2593(3) 0.0635(15) Uani 1 1 d . . . . .
H51A H 1.1673 0.3875 0.2436 0.095 Uiso 1 1 calc R U . . .
H51B H 1.1157 0.3479 0.3035 0.095 Uiso 1 1 calc R U . . .
H51C H 1.0411 0.3805 0.2446 0.095 Uiso 1 1 calc R U . . .
C52 C 1.1427(4) 0.3145(3) 0.1690(2) 0.0615(14) Uani 1 1 d . . . . .
H11J H 1.0746 0.3408 0.1520 0.092 Uiso 1 1 calc R U . . .
H11K H 1.1537 0.2747 0.1547 0.092 Uiso 1 1 calc R U . . .
H11L H 1.2029 0.3396 0.1563 0.092 Uiso 1 1 calc R U . . .
C53 C 1.2485(3) 0.2627(2) 0.2623(3) 0.0609(15) Uani 1 1 d . . . . .
H53A H 1.2646 0.2221 0.2496 0.091 Uiso 1 1 calc R U . . .
H53B H 1.2494 0.2531 0.3064 0.091 Uiso 1 1 calc R U . . .
H53C H 1.3032 0.2911 0.2466 0.091 Uiso 1 1 calc R U . . .
C54A C 0.4612(7) 0.8139(6) 0.1881(3) 0.0340(8) Uani 0.567(5) 1 d D . P A 1
C55A C 0.4318(6) 0.8225(4) 0.1273(3) 0.0336(11) Uani 0.567(5) 1 d D . P A 1
C56A C 0.3316(5) 0.8584(3) 0.1060(3) 0.0337(10) Uani 0.567(5) 1 d D . P A 1
H56A H 0.3124 0.8653 0.0647 0.040 Uiso 0.567(5) 1 calc R U P A 1
C57A C 0.2602(5) 0.8840(3) 0.1429(3) 0.0340(8) Uani 0.567(5) 1 d D . P A 1
H57A H 0.1943 0.9100 0.1269 0.041 Uiso 0.567(5) 1 calc R U P A 1
C58A C 0.2850(5) 0.8714(3) 0.2033(3) 0.0336(11) Uani 0.567(5) 1 d D . P A 1
H58A H 0.2339 0.8863 0.2296 0.040 Uiso 0.567(5) 1 calc R U P A 1
C59A C 0.3857(6) 0.8366(4) 0.2264(2) 0.0337(10) Uani 0.567(5) 1 d D . P A 1
C60A C 0.4984(7) 0.7955(3) 0.0813(3) 0.0367(8) Uani 0.567(5) 1 d D . P A 1
C61A C 0.5417(6) 0.8378(3) 0.0327(3) 0.0372(9) Uani 0.567(5) 1 d D . P A 1
C62A C 0.5875(6) 0.8130(3) -0.0144(3) 0.0368(7) Uani 0.567(5) 1 d D . P A 1
H62A H 0.6182 0.8415 -0.0468 0.044 Uiso 0.567(5) 1 calc R U P A 1
C63A C 0.5897(7) 0.7490(3) -0.0156(3) 0.0367(8) Uani 0.567(5) 1 d D . P A 1
C64A C 0.5309(7) 0.7102(3) 0.0287(3) 0.0372(9) Uani 0.567(5) 1 d D . P A 1
H64A H 0.5163 0.6693 0.0240 0.045 Uiso 0.567(5) 1 calc R U P A 1
C65A C 0.4934(9) 0.7311(3) 0.0797(4) 0.0368(7) Uani 0.567(5) 1 d D . P A 1
C66A C 0.5546(13) 0.9075(4) 0.0327(5) 0.058(2) Uani 0.567(5) 1 d D . P A 1
H66A H 0.5954 0.9265 -0.0026 0.087 Uiso 0.567(5) 1 calc R U P A 1
H66B H 0.5937 0.9077 0.0695 0.087 Uiso 0.567(5) 1 calc R U P A 1
H66C H 0.4829 0.9332 0.0313 0.087 Uiso 0.567(5) 1 calc R U P A 1
C67A C 0.6397(11) 0.7216(5) -0.0658(4) 0.055(3) Uani 0.567(5) 1 d D . P A 1
H67A H 0.6519 0.7574 -0.1002 0.083 Uiso 0.567(5) 1 calc R U P A 1
H67B H 0.5907 0.6949 -0.0782 0.083 Uiso 0.567(5) 1 calc R U P A 1
H67C H 0.7089 0.6948 -0.0517 0.083 Uiso 0.567(5) 1 calc R U P A 1
C68A C 0.4518(8) 0.6833(4) 0.1320(4) 0.0395(16) Uani 0.567(5) 1 d D . P A 1
H68A H 0.4381 0.6447 0.1191 0.059 Uiso 0.567(5) 1 calc R U P A 1
H68B H 0.3844 0.7036 0.1459 0.059 Uiso 0.567(5) 1 calc R U P A 1
H68C H 0.5060 0.6705 0.1649 0.059 Uiso 0.567(5) 1 calc R U P A 1
C69A C 0.4053(6) 0.8232(4) 0.2932(2) 0.0276(6) Uani 0.567(5) 1 d D . P A 1
C70A C 0.3537(6) 0.7756(4) 0.3326(3) 0.0270(6) Uani 0.567(5) 1 d D . P A 1
C71A C 0.3802(6) 0.7593(4) 0.3938(3) 0.0287(6) Uani 0.567(5) 1 d D . P A 1
H71A H 0.3439 0.7278 0.4205 0.034 Uiso 0.567(5) 1 calc R U P A 1
C72A C 0.4581(6) 0.7876(4) 0.4166(3) 0.0276(6) Uani 0.567(5) 1 d D . P A 1
C73A C 0.5064(7) 0.8356(4) 0.3771(3) 0.0270(6) Uani 0.567(5) 1 d D . P A 1
H73A H 0.5609 0.8548 0.3921 0.032 Uiso 0.567(5) 1 calc R U P A 1
C74A C 0.4769(8) 0.8567(4) 0.3153(3) 0.0287(6) Uani 0.567(5) 1 d D . P A 1
C75A C 0.2761(7) 0.7386(4) 0.3087(4) 0.0355(15) Uani 0.567(5) 1 d D . P A 1
H75A H 0.2086 0.7675 0.2948 0.053 Uiso 0.567(5) 1 calc R U P A 1
H75B H 0.2606 0.7014 0.3408 0.053 Uiso 0.567(5) 1 calc R U P A 1
H75C H 0.3091 0.7230 0.2750 0.053 Uiso 0.567(5) 1 calc R U P A 1
C76A C 0.4892(9) 0.7671(6) 0.4821(3) 0.0401(16) Uani 0.567(5) 1 d D . P A 1
H76A H 0.5213 0.7212 0.4925 0.060 Uiso 0.567(5) 1 calc R U P A 1
H76B H 0.4247 0.7726 0.5061 0.060 Uiso 0.567(5) 1 calc R U P A 1
H76C H 0.5420 0.7939 0.4905 0.060 Uiso 0.567(5) 1 calc R U P A 1
C77A C 0.5288(9) 0.9105(4) 0.2749(4) 0.0353(11) Uani 0.567(5) 1 d D . P A 1
H77A H 0.5795 0.8923 0.2483 0.053 Uiso 0.567(5) 1 calc R U P A 1
H77B H 0.5681 0.9318 0.2994 0.053 Uiso 0.567(5) 1 calc R U P A 1
H77C H 0.4727 0.9424 0.2504 0.053 Uiso 0.567(5) 1 calc R U P A 1
Au3 Au 0.66810(2) 0.76652(2) 0.34275(2) 0.02233(3) Uani 1 1 d . . . A 2
Au4 Au 0.93341(2) 0.66835(2) 0.33920(2) 0.02527(3) Uani 1 1 d . . . A 2
Cl3 Cl 0.76631(8) 0.81088(5) 0.40746(4) 0.0368(2) Uani 1 1 d . . . A 2
Cl4 Cl 1.08260(8) 0.62199(5) 0.39830(5) 0.0463(3) Uani 1 1 d . . . A 2
P4 P 0.57559(7) 0.71896(4) 0.27941(4) 0.02158(17) Uani 1 1 d . . . A 2
P5 P 0.78679(7) 0.71503(4) 0.28382(4) 0.02088(17) Uani 1 1 d . . . A 2
P6 P 0.67560(8) 0.81032(4) 0.17390(4) 0.0280(2) Uani 1 1 d . . . A 2
N3 N 0.5682(2) 0.77771(13) 0.21090(12) 0.0247(6) Uani 1 1 d . . . A 2
N4 N 0.6945(2) 0.67030(12) 0.26874(12) 0.0203(6) Uani 1 1 d . . . A 2
C54B C 0.4671(10) 0.8136(7) 0.1837(3) 0.0340(8) Uani 0.433(5) 1 d D . P A 2
C55B C 0.4488(8) 0.8301(5) 0.1209(3) 0.0336(11) Uani 0.433(5) 1 d D . P A 2
C56B C 0.3610(7) 0.8772(4) 0.0974(3) 0.0337(10) Uani 0.433(5) 1 d D . P A 2
H56B H 0.3486 0.8896 0.0550 0.040 Uiso 0.433(5) 1 calc R U P A 2
C57B C 0.2918(7) 0.9066(4) 0.1328(3) 0.0340(8) Uani 0.433(5) 1 d D . P A 2
H57B H 0.2329 0.9383 0.1149 0.041 Uiso 0.433(5) 1 calc R U P A 2
C58B C 0.3085(7) 0.8896(4) 0.1943(3) 0.0336(11) Uani 0.433(5) 1 d D . P A 2
H58B H 0.2608 0.9093 0.2193 0.040 Uiso 0.433(5) 1 calc R U P A 2
C59B C 0.3963(7) 0.8432(5) 0.2197(3) 0.0337(10) Uani 0.433(5) 1 d D . P A 2
C60B C 0.5051(9) 0.7960(4) 0.0765(4) 0.0367(8) Uani 0.433(5) 1 d D . P A 2
C61B C 0.5637(8) 0.8293(4) 0.0289(4) 0.0372(9) Uani 0.433(5) 1 d D . P A 2
C62B C 0.6036(8) 0.7981(4) -0.0158(4) 0.0368(7) Uani 0.433(5) 1 d D . P A 2
H62B H 0.6485 0.8192 -0.0461 0.044 Uiso 0.433(5) 1 calc R U P A 2
C63B C 0.5785(10) 0.7373(4) -0.0162(4) 0.0367(8) Uani 0.433(5) 1 d D . P A 2
C64B C 0.5378(9) 0.7006(4) 0.0372(4) 0.0372(9) Uani 0.433(5) 1 d D . P A 2
H64B H 0.5413 0.6548 0.0436 0.045 Uiso 0.433(5) 1 calc R U P A 2
C65B C 0.4922(12) 0.7310(4) 0.0812(5) 0.0368(7) Uani 0.433(5) 1 d D . P A 2
C66B C 0.5750(17) 0.9009(4) 0.0212(7) 0.058(2) Uani 0.433(5) 1 d D . P A 2
H66D H 0.6519 0.9062 0.0203 0.087 Uiso 0.433(5) 1 calc R U P A 2
H66E H 0.5411 0.9159 0.0550 0.087 Uiso 0.433(5) 1 calc R U P A 2
H66F H 0.5393 0.9266 -0.0167 0.087 Uiso 0.433(5) 1 calc R U P A 2
C67B C 0.6191(14) 0.7040(6) -0.0645(5) 0.055(3) Uani 0.433(5) 1 d D . P A 2
H67D H 0.5619 0.6821 -0.0763 0.083 Uiso 0.433(5) 1 calc R U P A 2
H67E H 0.6824 0.6719 -0.0490 0.083 Uiso 0.433(5) 1 calc R U P A 2
H67F H 0.6396 0.7364 -0.0997 0.083 Uiso 0.433(5) 1 calc R U P A 2
C68B C 0.4320(11) 0.6937(6) 0.1327(5) 0.0395(16) Uani 0.433(5) 1 d D . P A 2
H68D H 0.3575 0.7155 0.1323 0.059 Uiso 0.433(5) 1 calc R U P A 2
H68E H 0.4682 0.6918 0.1709 0.059 Uiso 0.433(5) 1 calc R U P A 2
H68F H 0.4309 0.6493 0.1283 0.059 Uiso 0.433(5) 1 calc R U P A 2
C69B C 0.4129(7) 0.8253(4) 0.2867(3) 0.0276(6) Uani 0.433(5) 1 d D . P A 2
C70B C 0.3547(8) 0.7778(5) 0.3210(3) 0.0270(6) Uani 0.433(5) 1 d D . P A 2
C71B C 0.3751(8) 0.7577(5) 0.3829(3) 0.0287(6) Uani 0.433(5) 1 d D . P A 2
H71B H 0.3396 0.7237 0.4064 0.034 Uiso 0.433(5) 1 calc R U P A 2
C72B C 0.4458(8) 0.7860(5) 0.4112(3) 0.0276(6) Uani 0.433(5) 1 d D . P A 2
C73B C 0.4954(9) 0.8369(5) 0.3766(3) 0.0270(6) Uani 0.433(5) 1 d D . P A 2
H73B H 0.5398 0.8587 0.3960 0.032 Uiso 0.433(5) 1 calc R U P A 2
C74B C 0.4813(10) 0.8570(5) 0.3133(3) 0.0287(6) Uani 0.433(5) 1 d D . P A 2
C75B C 0.2666(9) 0.7517(6) 0.2932(5) 0.0355(15) Uani 0.433(5) 1 d D . P A 2
H75D H 0.2009 0.7836 0.2867 0.053 Uiso 0.433(5) 1 calc R U P A 2
H75E H 0.2510 0.7109 0.3204 0.053 Uiso 0.433(5) 1 calc R U P A 2
H75F H 0.2907 0.7437 0.2545 0.053 Uiso 0.433(5) 1 calc R U P A 2
C76B C 0.4664(12) 0.7648(8) 0.4778(4) 0.0401(16) Uani 0.433(5) 1 d D . P A 2
H76D H 0.4345 0.7248 0.4944 0.060 Uiso 0.433(5) 1 calc R U P A 2
H76E H 0.4336 0.7991 0.4965 0.060 Uiso 0.433(5) 1 calc R U P A 2
H76F H 0.5446 0.7565 0.4862 0.060 Uiso 0.433(5) 1 calc R U P A 2
C77B C 0.5295(12) 0.9152(6) 0.2778(6) 0.0353(11) Uani 0.433(5) 1 d D . P A 2
H77D H 0.5409 0.9115 0.2363 0.053 Uiso 0.433(5) 1 calc R U P A 2
H77E H 0.5991 0.9169 0.2964 0.053 Uiso 0.433(5) 1 calc R U P A 2
H77F H 0.4801 0.9549 0.2776 0.053 Uiso 0.433(5) 1 calc R U P A 2
C78 C 0.7004(2) 0.60462(15) 0.26310(14) 0.0203(6) Uani 1 1 d . . . . .
C79 C 0.6286(3) 0.56477(15) 0.29709(14) 0.0222(7) Uani 1 1 d . . . . .
C80 C 0.6252(3) 0.50363(17) 0.28704(17) 0.0327(8) Uani 1 1 d . . . . .
H80 H 0.5752 0.4772 0.3087 0.039 Uiso 1 1 calc R U . . .
C81 C 0.6920(3) 0.48001(18) 0.24674(18) 0.0367(9) Uani 1 1 d . . . . .
H81 H 0.6854 0.4392 0.2388 0.044 Uiso 1 1 calc R U . . .
C82 C 0.7685(3) 0.51708(18) 0.21826(17) 0.0338(9) Uani 1 1 d . . . . .
H82 H 0.8178 0.5000 0.1924 0.041 Uiso 1 1 calc R U . . .
C83 C 0.7760(3) 0.57900(16) 0.22621(15) 0.0240(7) Uani 1 1 d . . . . .
C84 C 0.5638(3) 0.57945(16) 0.34889(15) 0.0252(7) Uani 1 1 d . . . . .
C85 C 0.6180(3) 0.57822(16) 0.40257(16) 0.0268(7) Uani 1 1 d . . . . .
C86 C 0.5572(3) 0.58401(17) 0.45331(17) 0.0369(9) Uani 1 1 d . . . . .
H86 H 0.5934 0.5858 0.4890 0.044 Uiso 1 1 calc R U . . .
C87 C 0.4454(3) 0.58715(18) 0.45259(19) 0.0399(10) Uani 1 1 d . . . . .
C88 C 0.3935(3) 0.58710(19) 0.39968(19) 0.0401(10) Uani 1 1 d . . . . .
H88 H 0.3168 0.5900 0.3988 0.048 Uiso 1 1 calc R U . . .
C89 C 0.4497(3) 0.58299(17) 0.34759(17) 0.0317(8) Uani 1 1 d . . . . .
C90 C 0.7393(3) 0.5681(2) 0.40854(17) 0.0367(9) Uani 1 1 d . . . . .
H90A H 0.7697 0.5391 0.3837 0.055 Uiso 1 1 calc R U . . .
H90B H 0.7610 0.5485 0.4508 0.055 Uiso 1 1 calc R U . . .
H90C H 0.7665 0.6101 0.3951 0.055 Uiso 1 1 calc R U . . .
C91 C 0.3821(4) 0.5904(2) 0.5083(2) 0.0582(13) Uani 1 1 d . . . . .
H91A H 0.3633 0.6360 0.5096 0.087 Uiso 1 1 calc R U . . .
H91B H 0.4261 0.5666 0.5440 0.087 Uiso 1 1 calc R U . . .
H91C H 0.3157 0.5708 0.5075 0.087 Uiso 1 1 calc R U . . .
C92 C 0.3885(3) 0.5827(2) 0.2920(2) 0.0434(10) Uani 1 1 d . . . . .
H92A H 0.4114 0.6154 0.2578 0.065 Uiso 1 1 calc R U . . .
H92B H 0.3107 0.5931 0.2979 0.065 Uiso 1 1 calc R U . . .
H92C H 0.4032 0.5396 0.2839 0.065 Uiso 1 1 calc R U . . .
C93 C 0.8708(3) 0.60975(16) 0.19660(15) 0.0241(7) Uani 1 1 d . . . . .
C94 C 0.8609(3) 0.65344(17) 0.14011(16) 0.0303(8) Uani 1 1 d . . . . .
C95 C 0.9528(3) 0.6730(2) 0.11092(19) 0.0430(10) Uani 1 1 d . . . . .
H95 H 0.9454 0.7029 0.0724 0.052 Uiso 1 1 calc R U . . .
C96 C 1.0543(4) 0.6507(2) 0.1357(2) 0.0542(12) Uani 1 1 d . . . . .
C97 C 1.0641(3) 0.6069(2) 0.1919(2) 0.0473(11) Uani 1 1 d . . . . .
H97 H 1.1342 0.5914 0.2096 0.057 Uiso 1 1 calc R U . . .
C98 C 0.9743(3) 0.58502(18) 0.22304(17) 0.0324(8) Uani 1 1 d . . . . .
C99 C 0.7520(3) 0.6749(2) 0.10897(18) 0.0404(10) Uani 1 1 d . . . . .
H99A H 0.7530 0.7167 0.0794 0.061 Uiso 1 1 calc R U . . .
H99B H 0.6966 0.6798 0.1388 0.061 Uiso 1 1 calc R U . . .
H99C H 0.7355 0.6422 0.0884 0.061 Uiso 1 1 calc R U . . .
C100 C 1.1548(4) 0.6737(3) 0.1032(3) 0.098(2) Uani 1 1 d . . . . .
H10A H 1.2178 0.6408 0.1172 0.147 Uiso 1 1 calc R U . . .
H10B H 1.1670 0.7148 0.1120 0.147 Uiso 1 1 calc R U . . .
H10C H 1.1442 0.6805 0.0597 0.147 Uiso 1 1 calc R U . . .
C101 C 0.9901(4) 0.5337(2) 0.2818(2) 0.0478(11) Uani 1 1 d . . . . .
H10D H 0.9918 0.4906 0.2740 0.072 Uiso 1 1 calc R U . . .
H10E H 0.9301 0.5410 0.3084 0.072 Uiso 1 1 calc R U . . .
H10F H 1.0586 0.5361 0.3011 0.072 Uiso 1 1 calc R U . . .
C102 C 0.7876(3) 0.78073(15) 0.21871(14) 0.0234(7) Uani 1 1 d . . . . .
C103 C 0.8860(3) 0.81941(17) 0.20587(16) 0.0306(8) Uani 1 1 d . . . . .
C104 C 0.8877(4) 0.8585(2) 0.2535(2) 0.0509(12) Uani 1 1 d . . . . .
H10G H 0.9474 0.8847 0.2457 0.076 Uiso 1 1 calc R U . . .
H10H H 0.8977 0.8286 0.2936 0.076 Uiso 1 1 calc R U . . .
H10I H 0.8190 0.8873 0.2516 0.076 Uiso 1 1 calc R U . . .
C105 C 0.8738(4) 0.8669(2) 0.14328(19) 0.0474(11) Uani 1 1 d . . . . .
H10J H 0.9371 0.8901 0.1356 0.071 Uiso 1 1 calc R U . . .
H10K H 0.8082 0.8982 0.1416 0.071 Uiso 1 1 calc R U . . .
H10L H 0.8683 0.8426 0.1126 0.071 Uiso 1 1 calc R U . . .
C106 C 0.9930(3) 0.7757(2) 0.2079(2) 0.0490(12) Uani 1 1 d . . . . .
H10M H 0.9888 0.7473 0.1806 0.073 Uiso 1 1 calc R U . . .
H10N H 1.0082 0.7490 0.2491 0.073 Uiso 1 1 calc R U . . .
H10O H 1.0510 0.8025 0.1953 0.073 Uiso 1 1 calc R U . . .
C107 C -0.0165(5) 0.5657(3) -0.0201(3) 0.0734(17) Uani 1 1 d . . . . .
H107 H -0.0283 0.6118 -0.0337 0.088 Uiso 1 1 calc R U . . .
C108 C -0.0272(4) 0.5365(3) 0.0400(3) 0.0722(16) Uani 1 1 d . . . . .
H108 H -0.0462 0.5622 0.0678 0.087 Uiso 1 1 calc R U . . .
C109 C -0.0101(5) 0.4698(3) 0.0593(3) 0.0697(16) Uani 1 1 d . . . . .
H109 H -0.0174 0.4491 0.1007 0.084 Uiso 1 1 calc R U . . .
C201 C 0.2581(6) 0.4927(4) 0.1191(4) 0.104(3) Uani 0.603(8) 1 d G . P B 1
H201 H 0.1875 0.4831 0.1305 0.125 Uiso 0.603(8) 1 calc R U P B 1
C202 C 0.3386(9) 0.4839(5) 0.1630(3) 0.105(3) Uani 0.603(8) 1 d G . P B 1
H202 H 0.3230 0.4683 0.2043 0.126 Uiso 0.603(8) 1 calc R U P B 1
C203 C 0.4420(8) 0.4979(5) 0.1463(4) 0.103(4) Uani 0.603(8) 1 d G . P B 1
H203 H 0.4970 0.4919 0.1763 0.123 Uiso 0.603(8) 1 calc R U P B 1
C204 C 0.4649(6) 0.5208(4) 0.0858(5) 0.104(3) Uani 0.603(8) 1 d G . P B 1
H204 H 0.5356 0.5304 0.0745 0.125 Uiso 0.603(8) 1 calc R U P B 1
C205 C 0.3844(8) 0.5296(4) 0.0420(4) 0.105(3) Uani 0.603(8) 1 d G . P B 1
H205 H 0.4001 0.5452 0.0006 0.126 Uiso 0.603(8) 1 calc R U P B 1
C206 C 0.2810(7) 0.5155(4) 0.0586(4) 0.103(4) Uani 0.603(8) 1 d G . P B 1
H206 H 0.2260 0.5216 0.0286 0.123 Uiso 0.603(8) 1 calc R U P B 1
C301 C 0.2524(9) 0.4933(6) 0.1218(6) 0.113(6) Uani 0.397(8) 1 d G . P B 2
H301 H 0.1774 0.5007 0.1296 0.135 Uiso 0.397(8) 1 calc R U P B 2
C302 C 0.3286(13) 0.4979(7) 0.1637(5) 0.115(6) Uani 0.397(8) 1 d G . P B 2
H302 H 0.3057 0.5085 0.2002 0.138 Uiso 0.397(8) 1 calc R U P B 2
C303 C 0.4384(11) 0.4871(7) 0.1523(6) 0.086(4) Uani 0.397(8) 1 d G . P B 2
H303 H 0.4905 0.4903 0.1809 0.104 Uiso 0.397(8) 1 calc R U P B 2
C304 C 0.4720(9) 0.4717(6) 0.0989(7) 0.113(6) Uani 0.397(8) 1 d G . P B 2
H304 H 0.5471 0.4643 0.0910 0.135 Uiso 0.397(8) 1 calc R U P B 2
C305 C 0.3958(11) 0.4670(7) 0.0569(5) 0.115(6) Uani 0.397(8) 1 d G . P B 2
H305 H 0.4187 0.4565 0.0204 0.138 Uiso 0.397(8) 1 calc R U P B 2
C306 C 0.2860(10) 0.4778(6) 0.0684(6) 0.086(4) Uani 0.397(8) 1 d G . P B 2
H306 H 0.2339 0.4747 0.0397 0.104 Uiso 0.397(8) 1 calc R U P B 2
C207 C 0.3025(4) 0.3504(2) 0.4153(2) 0.0645(18) Uani 0.689(10) 1 d G . P C 1
H207 H 0.3625 0.3226 0.4057 0.077 Uiso 0.689(10) 1 calc R U P C 1
C208 C 0.2906(4) 0.4168(2) 0.3885(2) 0.0594(16) Uani 0.689(10) 1 d G . P C 1
H208 H 0.3424 0.4344 0.3606 0.071 Uiso 0.689(10) 1 calc R U P C 1
C209 C 0.2028(5) 0.45755(18) 0.4024(3) 0.0529(16) Uani 0.689(10) 1 d G . P C 1
H209 H 0.1947 0.5029 0.3841 0.063 Uiso 0.689(10) 1 calc R U P C 1
C210 C 0.1270(4) 0.4319(3) 0.4432(3) 0.0645(18) Uani 0.689(10) 1 d G . P C 1
H210 H 0.0670 0.4597 0.4528 0.077 Uiso 0.689(10) 1 calc R U P C 1
C211 C 0.1389(4) 0.3655(3) 0.4701(3) 0.0594(16) Uani 0.689(10) 1 d G . P C 1
H211 H 0.0871 0.3479 0.4979 0.071 Uiso 0.689(10) 1 calc R U P C 1
C212 C 0.2267(5) 0.32474(19) 0.4561(2) 0.0529(16) Uani 0.689(10) 1 d G . P C 1
H212 H 0.2348 0.2794 0.4744 0.063 Uiso 0.689(10) 1 calc R U P C 1
C307 C 0.2983(7) 0.3616(5) 0.4216(5) 0.052(3) Uani 0.311(10) 1 d G . P C 2
H307 H 0.3657 0.3468 0.4066 0.063 Uiso 0.311(10) 1 calc R U P C 2
C308 C 0.2492(9) 0.4251(4) 0.3985(4) 0.056(4) Uani 0.311(10) 1 d G . P C 2
H308 H 0.2832 0.4538 0.3677 0.067 Uiso 0.311(10) 1 calc R U P C 2
C309 C 0.1505(9) 0.4468(4) 0.4206(5) 0.053(3) Uani 0.311(10) 1 d G . P C 2
H309 H 0.1169 0.4903 0.4048 0.063 Uiso 0.311(10) 1 calc R U P C 2
C310 C 0.1008(8) 0.4049(5) 0.4657(5) 0.052(3) Uani 0.311(10) 1 d G . P C 2
H310 H 0.0333 0.4197 0.4808 0.063 Uiso 0.311(10) 1 calc R U P C 2
C311 C 0.1498(9) 0.3413(5) 0.4888(5) 0.056(4) Uani 0.311(10) 1 d G . P C 2
H311 H 0.1159 0.3127 0.5197 0.067 Uiso 0.311(10) 1 calc R U P C 2
C312 C 0.2486(9) 0.3197(4) 0.4668(5) 0.053(3) Uani 0.311(10) 1 d G . P C 2
H312 H 0.2821 0.2762 0.4826 0.063 Uiso 0.311(10) 1 calc R U P C 2
C213 C 0.4031(9) 0.0029(8) 0.4985(8) 0.052(2) Uani 0.5 1 d G . P . .
H213 H 0.3266 0.0049 0.4966 0.062 Uiso 0.5 1 calc R U P . .
C214 C 0.4685(9) -0.0395(8) 0.4716(8) 0.054(2) Uani 0.5 1 d G . P . .
H214 H 0.4366 -0.0664 0.4514 0.065 Uiso 0.5 1 calc R U P . .
C215 C 0.5804(9) -0.0425(8) 0.4743(8) 0.054(2) Uani 0.5 1 d G . P . .
H215 H 0.6251 -0.0715 0.4559 0.065 Uiso 0.5 1 calc R U P . .
C216 C 0.6270(9) -0.0032(8) 0.5038(8) 0.052(2) Uani 0.5 1 d G . P . .
H216 H 0.7035 -0.0052 0.5057 0.062 Uiso 0.5 1 calc R U P . .
C217 C 0.5617(9) 0.0392(8) 0.5307(8) 0.054(2) Uani 0.5 1 d G . P . .
H217 H 0.5935 0.0661 0.5509 0.065 Uiso 0.5 1 calc R U P . .
C218 C 0.4497(9) 0.0422(8) 0.5280(8) 0.054(2) Uani 0.5 1 d G . P . .
H218 H 0.4050 0.0712 0.5464 0.065 Uiso 0.5 1 calc R U P . .
C219 C 1.0982(12) -0.0431(7) 0.0144(8) 0.061(4) Uiso 0.264(7) 1 d G . P D 1
H219 H 1.1576 -0.0770 0.0233 0.073 Uiso 0.264(7) 1 calc R U P D 1
C220 C 0.9990(12) -0.0554(7) -0.0041(8) 0.058(4) Uiso 0.264(7) 1 d G . P D 1
H220 H 0.9906 -0.0977 -0.0077 0.069 Uiso 0.264(7) 1 calc R U P D 1
C221 C 0.9122(12) -0.0057(8) -0.0172(8) 0.057(4) Uiso 0.264(7) 1 d G . P D 1
H221 H 0.8444 -0.0141 -0.0298 0.068 Uiso 0.264(7) 1 calc R U P D 1
C222 C 0.9245(13) 0.0562(7) -0.0119(8) 0.061(4) Uiso 0.264(7) 1 d G . P D 1
H222 H 0.8651 0.0902 -0.0209 0.073 Uiso 0.264(7) 1 calc R U P D 1
C223 C 1.0236(13) 0.0685(7) 0.0065(8) 0.058(4) Uiso 0.264(7) 1 d G . P D 1
H223 H 1.0321 0.1108 0.0102 0.069 Uiso 0.264(7) 1 calc R U P D 1
C224 C 1.1105(12) 0.0188(8) 0.0197(8) 0.057(4) Uiso 0.264(7) 1 d G . P D 1
H224 H 1.1783 0.0272 0.0323 0.068 Uiso 0.264(7) 1 calc R U P D 1
C319 C 1.0538(9) -0.0606(6) 0.0110(7) 0.044(5) Uiso 0.236(7) 1 d G . P D 2
H319 H 1.1274 -0.0752 0.0233 0.053 Uiso 0.236(7) 1 calc R U P D 2
C320 C 1.0089(11) 0.0028(6) 0.0095(7) 0.086(8) Uiso 0.236(7) 1 d G . P D 2
H320 H 1.0517 0.0316 0.0207 0.103 Uiso 0.236(7) 1 calc R U P D 2
C321 C 0.9013(11) 0.0242(6) -0.0085(8) 0.042(5) Uiso 0.236(7) 1 d G . P D 2
H321 H 0.8706 0.0675 -0.0096 0.051 Uiso 0.236(7) 1 calc R U P D 2
C322 C 0.8387(9) -0.0180(8) -0.0249(8) 0.101(10) Uiso 0.236(7) 1 d G . P D 2
H322 H 0.7651 -0.0034 -0.0372 0.121 Uiso 0.236(7) 1 calc R U P D 2
C323 C 0.8836(11) -0.0815(7) -0.0234(8) 0.072(7) Uiso 0.236(7) 1 d G . P D 2
H323 H 0.8408 -0.1103 -0.0346 0.087 Uiso 0.236(7) 1 calc R U P D 2
C324 C 0.9912(12) -0.1028(6) -0.0054(7) 0.068(7) Uiso 0.236(7) 1 d G . P D 2
H324 H 1.0219 -0.1462 -0.0043 0.082 Uiso 0.236(7) 1 calc R U P D 2


#==============================================================================

# MOLECULAR GEOMETRY

_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 P2 2.3470(9) . ?
Au1 P1 2.3533(8) . ?
Au1 Cl1 2.3630(10) . ?
Au1 C9 2.652(3) . ?
Au2 P2 2.2158(8) . ?
Au2 Cl2 2.2778(9) . ?
P1 N2 1.741(3) . ?
P1 N1 1.744(3) . ?
P1 P2 2.6324(11) . ?
P2 N2 1.684(3) . ?
P2 C49 1.781(3) . ?
P3 C49 1.692(3) . ?
P3 N1 1.703(3) . ?
N1 C1 1.467(4) . ?
N2 C25 1.435(4) . ?
C1 C2 1.395(5) . ?
C1 C6 1.406(5) . ?
C2 C3 1.401(5) . ?
C2 C7 1.487(5) . ?
C3 C4 1.378(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.375(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.406(5) . ?
C5 H5 0.9500 . ?
C6 C16 1.504(5) . ?
C7 C12 1.393(5) . ?
C7 C8 1.417(5) . ?
C8 C9 1.408(5) . ?
C8 C13 1.498(5) . ?
C9 C10 1.407(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.380(5) . ?
C10 C14 1.507(5) . ?
C11 C12 1.395(5) . ?
C11 H11 0.9500 . ?
C12 C15 1.519(5) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.406(5) . ?
C16 C21 1.407(5) . ?
C17 C18 1.386(5) . ?
C17 C22 1.505(5) . ?
C18 C19 1.388(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.382(5) . ?
C19 C23 1.504(5) . ?
C20 C21 1.395(5) . ?
C20 H20 0.9500 . ?
C21 C24 1.510(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.404(5) . ?
C25 C30 1.416(5) . ?
C26 C27 1.393(5) . ?
C26 C31 1.506(5) . ?
C27 C28 1.370(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.371(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(5) . ?
C29 H29 0.9500 . ?
C30 C40 1.498(5) . ?
C31 C36 1.389(5) . ?
C31 C32 1.407(5) . ?
C32 C33 1.389(6) . ?
C32 C37 1.506(6) . ?
C33 C34 1.381(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.397(5) . ?
C34 C38 1.505(6) . ?
C35 C36 1.391(5) . ?
C35 H35 0.9500 . ?
C36 C39 1.512(5) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C45 1.408(5) . ?
C40 C41 1.422(5) . ?
C41 C42 1.384(5) . ?
C41 C46 1.501(5) . ?
C42 C43 1.391(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.381(5) . ?
C43 C47 1.499(6) . ?
C44 C45 1.404(5) . ?
C44 H44 0.9500 . ?
C45 C48 1.494(5) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.558(5) . ?
C50 C53 1.511(6) . ?
C50 C51 1.517(6) . ?
C50 C52 1.536(6) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H11J 0.9800 . ?
C52 H11K 0.9800 . ?
C52 H11L 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54A C59A 1.399(7) . ?
C54A C55A 1.407(7) . ?
C55A C56A 1.399(7) . ?
C55A C60A 1.509(7) . ?
C56A C57A 1.374(7) . ?
C56A H56A 0.9500 . ?
C57A C58A 1.372(7) . ?
C57A H57A 0.9500 . ?
C58A C59A 1.409(7) . ?
C58A H58A 0.9500 . ?
C59A C69A 1.502(6) . ?
C60A C65A 1.398(7) . ?
C60A C61A 1.402(7) . ?
C61A C62A 1.400(7) . ?
C61A C66A 1.523(8) . ?
C62A C63A 1.374(7) . ?
C62A H62A 0.9500 . ?
C63A C64A 1.408(7) . ?
C63A C67A 1.507(7) . ?
C64A C65A 1.405(7) . ?
C64A H64A 0.9500 . ?
C65A C68A 1.506(7) . ?
C66A H66A 0.9800 . ?
C66A H66B 0.9800 . ?
C66A H66C 0.9800 . ?
C67A H67A 0.9800 . ?
C67A H67B 0.9800 . ?
C67A H67C 0.9800 . ?
C68A H68A 0.9800 . ?
C68A H68B 0.9800 . ?
C68A H68C 0.9800 . ?
C69A C74A 1.391(6) . ?
C69A C70A 1.403(6) . ?
C70A C71A 1.390(6) . ?
C70A C75A 1.517(7) . ?
C71A C72A 1.384(7) . ?
C71A H71A 0.9500 . ?
C72A C73A 1.389(6) . ?
C72A C76A 1.494(7) . ?
C73A C74A 1.411(6) . ?
C73A H73A 0.9500 . ?
C74A C77A 1.504(6) . ?
C75A H75A 0.9800 . ?
C75A H75B 0.9800 . ?
C75A H75C 0.9800 . ?
C76A H76A 0.9800 . ?
C76A H76B 0.9800 . ?
C76A H76C 0.9800 . ?
C77A H77A 0.9800 . ?
C77A H77B 0.9800 . ?
C77A H77C 0.9800 . ?
Au3 P5 2.3402(9) . ?
Au3 P4 2.3594(9) . ?
Au3 Cl3 2.3788(9) . ?
Au3 C73B 2.678(13) . ?
Au4 P5 2.2102(8) . ?
Au4 Cl4 2.2749(10) . ?
P4 N4 1.745(3) . ?
P4 N3 1.745(3) . ?
P4 P5 2.6256(12) . ?
P5 N4 1.683(3) . ?
P5 C102 1.779(3) . ?
P6 C102 1.697(4) . ?
P6 N3 1.711(3) . ?
N3 C54B 1.446(9) . ?
N4 C78 1.436(4) . ?
C54B C59B 1.395(7) . ?
C54B C55B 1.409(7) . ?
C55B C56B 1.398(7) . ?
C55B C60B 1.508(7) . ?
C56B C57B 1.373(8) . ?
C56B H56B 0.9500 . ?
C57B C58B 1.376(8) . ?
C57B H57B 0.9500 . ?
C58B C59B 1.401(7) . ?
C58B H58B 0.9500 . ?
C59B C69B 1.497(7) . ?
C60B C65B 1.398(7) . ?
C60B C61B 1.402(8) . ?
C61B C62B 1.407(8) . ?
C61B C66B 1.524(8) . ?
C62B C63B 1.382(8) . ?
C62B H62B 0.9500 . ?
C63B C64B 1.410(8) . ?
C63B C67B 1.507(8) . ?
C64B C65B 1.405(7) . ?
C64B H64B 0.9500 . ?
C65B C68B 1.506(8) . ?
C66B H66D 0.9800 . ?
C66B H66E 0.9800 . ?
C66B H66F 0.9800 . ?
C67B H67D 0.9800 . ?
C67B H67E 0.9800 . ?
C67B H67F 0.9800 . ?
C68B H68D 0.9800 . ?
C68B H68E 0.9800 . ?
C68B H68F 0.9800 . ?
C69B C74B 1.390(7) . ?
C69B C70B 1.401(7) . ?
C70B C71B 1.391(7) . ?
C70B C75B 1.513(8) . ?
C71B C72B 1.385(7) . ?
C71B H71B 0.9500 . ?
C72B C73B 1.393(7) . ?
C72B C76B 1.496(7) . ?
C73B C74B 1.412(7) . ?
C73B H73B 0.9500 . ?
C74B C77B 1.504(7) . ?
C75B H75D 0.9800 . ?
C75B H75E 0.9800 . ?
C75B H75F 0.9800 . ?
C76B H76D 0.9800 . ?
C76B H76E 0.9800 . ?
C76B H76F 0.9800 . ?
C77B H77D 0.9800 . ?
C77B H77E 0.9800 . ?
C77B H77F 0.9800 . ?
C78 C83 1.405(4) . ?
C78 C79 1.412(4) . ?
C79 C80 1.390(5) . ?
C79 C84 1.501(5) . ?
C80 C81 1.378(5) . ?
C80 H80 0.9500 . ?
C81 C82 1.378(5) . ?
C81 H81 0.9500 . ?
C82 C83 1.397(5) . ?
C82 H82 0.9500 . ?
C83 C93 1.503(5) . ?
C84 C85 1.403(5) . ?
C84 C89 1.415(5) . ?
C85 C86 1.402(5) . ?
C85 C90 1.502(5) . ?
C86 C87 1.387(6) . ?
C86 H86 0.9500 . ?
C87 C88 1.381(6) . ?
C87 C91 1.503(6) . ?
C88 C89 1.392(5) . ?
C88 H88 0.9500 . ?
C89 C92 1.495(6) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C94 1.392(5) . ?
C93 C98 1.410(5) . ?
C94 C95 1.381(5) . ?
C94 C99 1.502(5) . ?
C95 C96 1.368(6) . ?
C95 H95 0.9500 . ?
C96 C97 1.387(7) . ?
C96 C100 1.526(6) . ?
C97 C98 1.392(6) . ?
C97 H97 0.9500 . ?
C98 C101 1.507(6) . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 H10D 0.9800 . ?
C101 H10E 0.9800 . ?
C101 H10F 0.9800 . ?
C102 C103 1.555(5) . ?
C103 C106 1.517(6) . ?
C103 C104 1.533(6) . ?
C103 C105 1.534(5) . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C105 H10J 0.9800 . ?
C105 H10K 0.9800 . ?
C105 H10L 0.9800 . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C106 H10O 0.9800 . ?
C107 C109 1.326(8) 2_565 ?
C107 C108 1.377(8) . ?
C107 H107 0.9500 . ?
C108 C109 1.374(8) . ?
C108 H108 0.9500 . ?
C109 C107 1.326(8) 2_565 ?
C109 H109 0.9500 . ?
C201 C202 1.3900 . ?
C201 C206 1.3900 . ?
C201 H201 0.9500 . ?
C202 C203 1.3900 . ?
C202 H202 0.9500 . ?
C203 C204 1.3900 . ?
C203 H203 0.9500 . ?
C204 C205 1.3900 . ?
C204 H204 0.9500 . ?
C205 C206 1.3900 . ?
C205 H205 0.9500 . ?
C206 H206 0.9500 . ?
C301 C302 1.3900 . ?
C301 C306 1.3900 . ?
C301 H301 0.9500 . ?
C302 C303 1.3900 . ?
C302 H302 0.9500 . ?
C303 C304 1.3900 . ?
C303 H303 0.9500 . ?
C304 C305 1.3900 . ?
C304 H304 0.9500 . ?
C305 C306 1.3900 . ?
C305 H305 0.9500 . ?
C306 H306 0.9500 . ?
C207 C208 1.3900 . ?
C207 C212 1.3900 . ?
C207 H207 0.9500 . ?
C208 C209 1.3900 . ?
C208 H208 0.9500 . ?
C209 C210 1.3900 . ?
C209 H209 0.9500 . ?
C210 C211 1.3900 . ?
C210 H210 0.9500 . ?
C211 C212 1.3900 . ?
C211 H211 0.9500 . ?
C212 H212 0.9500 . ?
C307 C308 1.3900 . ?
C307 C312 1.3900 . ?
C307 H307 0.9500 . ?
C308 C309 1.3900 . ?
C308 H308 0.9500 . ?
C309 C310 1.3900 . ?
C309 H309 0.9500 . ?
C310 C311 1.3900 . ?
C310 H310 0.9500 . ?
C311 C312 1.3900 . ?
C311 H311 0.9500 . ?
C312 H312 0.9500 . ?
C213 C214 1.3900 . ?
C213 C218 1.3900 . ?
C213 H213 0.9500 . ?
C214 C215 1.3900 . ?
C214 H214 0.9500 . ?
C215 C216 1.3900 . ?
C215 H215 0.9500 . ?
C216 C217 1.3900 . ?
C216 H216 0.9500 . ?
C217 C218 1.3900 . ?
C217 H217 0.9500 . ?
C218 H218 0.9500 . ?
C219 C220 1.3900 . ?
C219 C224 1.3900 . ?
C219 H219 0.9500 . ?
C220 C221 1.3900 . ?
C220 H220 0.9500 . ?
C221 C222 1.3900 . ?
C221 H221 0.9500 . ?
C222 C223 1.3900 . ?
C222 H222 0.9500 . ?
C223 C224 1.3900 . ?
C223 H223 0.9500 . ?
C224 H224 0.9500 . ?
C319 C320 1.3900 . ?
C319 C324 1.3900 . ?
C319 H319 0.9500 . ?
C320 C321 1.3900 . ?
C320 H320 0.9500 . ?
C321 C322 1.3900 . ?
C321 H321 0.9500 . ?
C322 C323 1.3900 . ?
C322 H322 0.9500 . ?
C323 C324 1.3900 . ?
C323 H323 0.9500 . ?
C324 H324 0.9500 . ?

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
P2 Au1 P1 68.12(3) . . ?
P2 Au1 Cl1 110.36(3) . . ?
P1 Au1 Cl1 172.36(4) . . ?
P2 Au1 C9 157.20(8) . . ?
P1 Au1 C9 98.26(8) . . ?
Cl1 Au1 C9 85.49(8) . . ?
P2 Au2 Cl2 178.14(4) . . ?
N2 P1 N1 98.84(13) . . ?
N2 P1 Au1 90.38(9) . . ?
N1 P1 Au1 105.02(9) . . ?
N2 P1 P2 38.97(9) . . ?
N1 P1 P2 90.42(9) . . ?
Au1 P1 P2 55.83(3) . . ?
N2 P2 C49 106.31(14) . . ?
N2 P2 Au2 120.89(10) . . ?
C49 P2 Au2 123.17(11) . . ?
N2 P2 Au1 92.03(10) . . ?
C49 P2 Au1 98.80(11) . . ?
Au2 P2 Au1 108.60(4) . . ?
N2 P2 P1 40.57(9) . . ?
C49 P2 P1 92.38(11) . . ?
Au2 P2 P1 144.15(4) . . ?
Au1 P2 P1 56.06(3) . . ?
C49 P3 N1 107.21(15) . . ?
C1 N1 P3 112.7(2) . . ?
C1 N1 P1 120.1(2) . . ?
P3 N1 P1 126.06(15) . . ?
C25 N2 P2 134.9(2) . . ?
C25 N2 P1 123.6(2) . . ?
P2 N2 P1 100.46(14) . . ?
C2 C1 C6 120.8(3) . . ?
C2 C1 N1 119.2(3) . . ?
C6 C1 N1 120.0(3) . . ?
C1 C2 C3 119.5(3) . . ?
C1 C2 C7 122.1(3) . . ?
C3 C2 C7 118.3(3) . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 122.1(3) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C5 C6 C1 117.5(3) . . ?
C5 C6 C16 115.5(3) . . ?
C1 C6 C16 126.9(3) . . ?
C12 C7 C8 119.7(3) . . ?
C12 C7 C2 119.5(3) . . ?
C8 C7 C2 120.9(3) . . ?
C9 C8 C7 118.8(3) . . ?
C9 C8 C13 119.7(3) . . ?
C7 C8 C13 121.5(3) . . ?
C10 C9 C8 120.9(3) . . ?
C10 C9 Au1 95.1(2) . . ?
C8 C9 Au1 86.2(2) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
Au1 C9 H9 88.7 . . ?
C11 C10 C9 118.8(3) . . ?
C11 C10 C14 121.1(4) . . ?
C9 C10 C14 120.1(4) . . ?
C10 C11 C12 121.5(4) . . ?
C10 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C7 C12 C11 119.9(3) . . ?
C7 C12 C15 121.1(3) . . ?
C11 C12 C15 119.0(3) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 119.1(3) . . ?
C17 C16 C6 119.3(3) . . ?
C21 C16 C6 120.6(3) . . ?
C18 C17 C16 119.5(3) . . ?
C18 C17 C22 119.3(3) . . ?
C16 C17 C22 121.2(3) . . ?
C17 C18 C19 122.2(3) . . ?
C17 C18 H18 118.9 . . ?
C19 C18 H18 118.9 . . ?
C20 C19 C18 117.6(3) . . ?
C20 C19 C23 121.0(4) . . ?
C18 C19 C23 121.4(3) . . ?
C19 C20 C21 122.4(3) . . ?
C19 C20 H20 118.8 . . ?
C21 C20 H20 118.8 . . ?
C20 C21 C16 119.0(3) . . ?
C20 C21 C24 119.1(3) . . ?
C16 C21 C24 121.9(3) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C30 119.3(3) . . ?
C26 C25 N2 122.4(3) . . ?
C30 C25 N2 118.3(3) . . ?
C27 C26 C25 118.6(3) . . ?
C27 C26 C31 117.1(3) . . ?
C25 C26 C31 123.9(3) . . ?
C28 C27 C26 121.9(4) . . ?
C28 C27 H27 119.0 . . ?
C26 C27 H27 119.0 . . ?
C27 C28 C29 118.6(4) . . ?
C27 C28 H28 120.7 . . ?
C29 C28 H28 120.7 . . ?
C28 C29 C30 122.5(4) . . ?
C28 C29 H29 118.8 . . ?
C30 C29 H29 118.8 . . ?
C29 C30 C25 118.1(3) . . ?
C29 C30 C40 118.1(3) . . ?
C25 C30 C40 123.7(3) . . ?
C36 C31 C32 120.3(3) . . ?
C36 C31 C26 122.0(3) . . ?
C32 C31 C26 117.2(3) . . ?
C33 C32 C31 118.4(4) . . ?
C33 C32 C37 119.2(3) . . ?
C31 C32 C37 122.3(4) . . ?
C34 C33 C32 122.2(4) . . ?
C34 C33 H33 118.9 . . ?
C32 C33 H33 118.9 . . ?
C33 C34 C35 118.3(4) . . ?
C33 C34 C38 120.9(4) . . ?
C35 C34 C38 120.8(4) . . ?
C36 C35 C34 121.1(4) . . ?
C36 C35 H35 119.4 . . ?
C34 C35 H35 119.4 . . ?
C31 C36 C35 119.5(3) . . ?
C31 C36 C39 120.8(3) . . ?
C35 C36 C39 119.7(4) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C45 C40 C41 119.2(3) . . ?
C45 C40 C30 120.6(3) . . ?
C41 C40 C30 119.7(3) . . ?
C42 C41 C40 119.1(3) . . ?
C42 C41 C46 119.1(3) . . ?
C40 C41 C46 121.8(3) . . ?
C41 C42 C43 122.7(3) . . ?
C41 C42 H42 118.6 . . ?
C43 C42 H42 118.6 . . ?
C44 C43 C42 117.6(3) . . ?
C44 C43 C47 121.3(4) . . ?
C42 C43 C47 121.1(4) . . ?
C43 C44 C45 122.6(4) . . ?
C43 C44 H44 118.7 . . ?
C45 C44 H44 118.7 . . ?
C44 C45 C40 118.8(3) . . ?
C44 C45 C48 118.7(3) . . ?
C40 C45 C48 122.4(3) . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 P3 116.3(2) . . ?
C50 C49 P2 121.0(2) . . ?
P3 C49 P2 122.09(19) . . ?
C53 C50 C51 108.7(4) . . ?
C53 C50 C52 107.5(4) . . ?
C51 C50 C52 108.8(4) . . ?
C53 C50 C49 112.8(3) . . ?
C51 C50 C49 111.9(3) . . ?
C52 C50 C49 106.9(3) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H11J 109.5 . . ?
C50 C52 H11K 109.5 . . ?
H11J C52 H11K 109.5 . . ?
C50 C52 H11L 109.5 . . ?
H11J C52 H11L 109.5 . . ?
H11K C52 H11L 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C59A C54A C55A 119.0(6) . . ?
C56A C55A C54A 118.6(5) . . ?
C56A C55A C60A 115.4(5) . . ?
C54A C55A C60A 126.0(5) . . ?
C57A C56A C55A 122.2(5) . . ?
C57A C56A H56A 118.9 . . ?
C55A C56A H56A 118.9 . . ?
C58A C57A C56A 119.2(5) . . ?
C58A C57A H57A 120.4 . . ?
C56A C57A H57A 120.4 . . ?
C57A C58A C59A 120.4(5) . . ?
C57A C58A H58A 119.8 . . ?
C59A C58A H58A 119.8 . . ?
C54A C59A C58A 120.2(5) . . ?
C54A C59A C69A 122.7(5) . . ?
C58A C59A C69A 117.1(5) . . ?
C65A C60A C61A 119.8(5) . . ?
C65A C60A C55A 118.2(6) . . ?
C61A C60A C55A 120.1(5) . . ?
C62A C61A C60A 118.9(5) . . ?
C62A C61A C66A 117.9(6) . . ?
C60A C61A C66A 122.6(6) . . ?
C63A C62A C61A 122.6(6) . . ?
C63A C62A H62A 118.7 . . ?
C61A C62A H62A 118.7 . . ?
C62A C63A C64A 117.1(5) . . ?
C62A C63A C67A 123.0(6) . . ?
C64A C63A C67A 119.4(6) . . ?
C65A C64A C63A 121.1(6) . . ?
C65A C64A H64A 119.5 . . ?
C63A C64A H64A 119.5 . . ?
C60A C65A C64A 119.0(5) . . ?
C60A C65A C68A 121.6(6) . . ?
C64A C65A C68A 119.4(6) . . ?
C61A C66A H66A 109.5 . . ?
C61A C66A H66B 109.5 . . ?
H66A C66A H66B 109.5 . . ?
C61A C66A H66C 109.5 . . ?
H66A C66A H66C 109.5 . . ?
H66B C66A H66C 109.5 . . ?
C63A C67A H67A 109.5 . . ?
C63A C67A H67B 109.5 . . ?
H67A C67A H67B 109.5 . . ?
C63A C67A H67C 109.5 . . ?
H67A C67A H67C 109.5 . . ?
H67B C67A H67C 109.5 . . ?
C65A C68A H68A 109.5 . . ?
C65A C68A H68B 109.5 . . ?
H68A C68A H68B 109.5 . . ?
C65A C68A H68C 109.5 . . ?
H68A C68A H68C 109.5 . . ?
H68B C68A H68C 109.5 . . ?
C74A C69A C70A 120.6(5) . . ?
C74A C69A C59A 119.6(5) . . ?
C70A C69A C59A 119.8(5) . . ?
C71A C70A C69A 119.3(5) . . ?
C71A C70A C75A 119.8(5) . . ?
C69A C70A C75A 120.8(5) . . ?
C72A C71A C70A 121.6(5) . . ?
C72A C71A H71A 119.2 . . ?
C70A C71A H71A 119.2 . . ?
C71A C72A C73A 118.1(5) . . ?
C71A C72A C76A 120.8(6) . . ?
C73A C72A C76A 121.1(6) . . ?
C72A C73A C74A 122.1(5) . . ?
C72A C73A H73A 118.9 . . ?
C74A C73A H73A 118.9 . . ?
C69A C74A C73A 117.8(5) . . ?
C69A C74A C77A 122.1(6) . . ?
C73A C74A C77A 120.0(6) . . ?
C70A C75A H75A 109.5 . . ?
C70A C75A H75B 109.5 . . ?
H75A C75A H75B 109.5 . . ?
C70A C75A H75C 109.5 . . ?
H75A C75A H75C 109.5 . . ?
H75B C75A H75C 109.5 . . ?
C72A C76A H76A 109.5 . . ?
C72A C76A H76B 109.5 . . ?
H76A C76A H76B 109.5 . . ?
C72A C76A H76C 109.5 . . ?
H76A C76A H76C 109.5 . . ?
H76B C76A H76C 109.5 . . ?
C74A C77A H77A 109.5 . . ?
C74A C77A H77B 109.5 . . ?
H77A C77A H77B 109.5 . . ?
C74A C77A H77C 109.5 . . ?
H77A C77A H77C 109.5 . . ?
H77B C77A H77C 109.5 . . ?
P5 Au3 P4 67.93(3) . . ?
P5 Au3 Cl3 110.47(3) . . ?
P4 Au3 Cl3 177.83(3) . . ?
P5 Au3 C73B 161.40(17) . . ?
P4 Au3 C73B 97.51(19) . . ?
Cl3 Au3 C73B 84.35(18) . . ?
P5 Au4 Cl4 178.27(4) . . ?
N4 P4 N3 99.39(13) . . ?
N4 P4 Au3 91.07(9) . . ?
N3 P4 Au3 102.44(10) . . ?
N4 P4 P5 39.14(9) . . ?
N3 P4 P5 90.56(10) . . ?
Au3 P4 P5 55.69(3) . . ?
N4 P5 C102 105.66(15) . . ?
N4 P5 Au4 120.86(10) . . ?
C102 P5 Au4 123.21(12) . . ?
N4 P5 Au3 93.34(9) . . ?
C102 P5 Au3 99.22(11) . . ?
Au4 P5 Au3 108.04(4) . . ?
N4 P5 P4 40.88(9) . . ?
C102 P5 P4 93.39(12) . . ?
Au4 P5 P4 143.13(4) . . ?
Au3 P5 P4 56.38(3) . . ?
C102 P6 N3 107.80(15) . . ?
C54B N3 P6 110.6(6) . . ?
C54B N3 P4 122.8(6) . . ?
P6 N3 P4 125.71(16) . . ?
C78 N4 P5 133.7(2) . . ?
C78 N4 P4 124.8(2) . . ?
P5 N4 P4 99.98(14) . . ?
C59B C54B C55B 119.4(6) . . ?
C59B C54B N3 117.8(6) . . ?
C55B C54B N3 121.6(6) . . ?
C56B C55B C54B 117.5(6) . . ?
C56B C55B C60B 115.3(6) . . ?
C54B C55B C60B 126.6(7) . . ?
C57B C56B C55B 123.0(6) . . ?
C57B C56B H56B 118.5 . . ?
C55B C56B H56B 118.5 . . ?
C56B C57B C58B 119.4(7) . . ?
C56B C57B H57B 120.3 . . ?
C58B C57B H57B 120.3 . . ?
C57B C58B C59B 119.5(6) . . ?
C57B C58B H58B 120.2 . . ?
C59B C58B H58B 120.2 . . ?
C54B C59B C58B 121.1(6) . . ?
C54B C59B C69B 120.2(6) . . ?
C58B C59B C69B 118.7(6) . . ?
C65B C60B C61B 120.1(6) . . ?
C65B C60B C55B 118.7(7) . . ?
C61B C60B C55B 121.1(6) . . ?
C60B C61B C62B 119.4(6) . . ?
C60B C61B C66B 121.2(7) . . ?
C62B C61B C66B 119.2(7) . . ?
C63B C62B C61B 121.0(7) . . ?
C63B C62B H62B 119.5 . . ?
C61B C62B H62B 119.5 . . ?
C62B C63B C64B 117.3(7) . . ?
C62B C63B C67B 121.5(8) . . ?
C64B C63B C67B 119.4(7) . . ?
C65B C64B C63B 120.7(7) . . ?
C65B C64B H64B 119.7 . . ?
C63B C64B H64B 119.7 . . ?
C60B C65B C64B 118.8(6) . . ?
C60B C65B C68B 121.1(7) . . ?
C64B C65B C68B 120.1(7) . . ?
C61B C66B H66D 109.5 . . ?
C61B C66B H66E 109.5 . . ?
H66D C66B H66E 109.5 . . ?
C61B C66B H66F 109.5 . . ?
H66D C66B H66F 109.5 . . ?
H66E C66B H66F 109.5 . . ?
C63B C67B H67D 109.5 . . ?
C63B C67B H67E 109.5 . . ?
H67D C67B H67E 109.5 . . ?
C63B C67B H67F 109.5 . . ?
H67D C67B H67F 109.5 . . ?
H67E C67B H67F 109.5 . . ?
C65B C68B H68D 109.5 . . ?
C65B C68B H68E 109.5 . . ?
H68D C68B H68E 109.5 . . ?
C65B C68B H68F 109.5 . . ?
H68D C68B H68F 109.5 . . ?
H68E C68B H68F 109.5 . . ?
C74B C69B C70B 121.9(6) . . ?
C74B C69B C59B 120.2(7) . . ?
C70B C69B C59B 117.9(6) . . ?
C71B C70B C69B 118.3(6) . . ?
C71B C70B C75B 119.9(7) . . ?
C69B C70B C75B 121.7(6) . . ?
C72B C71B C70B 121.7(6) . . ?
C72B C71B H71B 119.2 . . ?
C70B C71B H71B 119.2 . . ?
C71B C72B C73B 118.7(6) . . ?
C71B C72B C76B 121.5(7) . . ?
C73B C72B C76B 119.8(7) . . ?
C72B C73B C74B 121.6(7) . . ?
C72B C73B Au3 98.6(8) . . ?
C74B C73B Au3 79.6(8) . . ?
C72B C73B H73B 119.2 . . ?
C74B C73B H73B 119.2 . . ?
Au3 C73B H73B 91.9 . . ?
C69B C74B C73B 117.5(6) . . ?
C69B C74B C77B 122.0(7) . . ?
C73B C74B C77B 120.2(7) . . ?
C70B C75B H75D 109.5 . . ?
C70B C75B H75E 109.5 . . ?
H75D C75B H75E 109.5 . . ?
C70B C75B H75F 109.5 . . ?
H75D C75B H75F 109.5 . . ?
H75E C75B H75F 109.5 . . ?
C72B C76B H76D 109.5 . . ?
C72B C76B H76E 109.5 . . ?
H76D C76B H76E 109.5 . . ?
C72B C76B H76F 109.5 . . ?
H76D C76B H76F 109.5 . . ?
H76E C76B H76F 109.5 . . ?
C74B C77B H77D 109.5 . . ?
C74B C77B H77E 109.5 . . ?
H77D C77B H77E 109.5 . . ?
C74B C77B H77F 109.5 . . ?
H77D C77B H77F 109.5 . . ?
H77E C77B H77F 109.5 . . ?
C83 C78 C79 119.7(3) . . ?
C83 C78 N4 122.2(3) . . ?
C79 C78 N4 118.0(3) . . ?
C80 C79 C78 118.5(3) . . ?
C80 C79 C84 115.9(3) . . ?
C78 C79 C84 125.2(3) . . ?
C81 C80 C79 122.2(3) . . ?
C81 C80 H80 118.9 . . ?
C79 C80 H80 118.9 . . ?
C82 C81 C80 118.3(3) . . ?
C82 C81 H81 120.8 . . ?
C80 C81 H81 120.8 . . ?
C81 C82 C83 122.2(3) . . ?
C81 C82 H82 118.9 . . ?
C83 C82 H82 118.9 . . ?
C82 C83 C78 118.4(3) . . ?
C82 C83 C93 115.0(3) . . ?
C78 C83 C93 126.5(3) . . ?
C85 C84 C89 119.8(3) . . ?
C85 C84 C79 119.1(3) . . ?
C89 C84 C79 120.2(3) . . ?
C86 C85 C84 119.1(3) . . ?
C86 C85 C90 118.5(3) . . ?
C84 C85 C90 122.3(3) . . ?
C87 C86 C85 121.4(4) . . ?
C87 C86 H86 119.3 . . ?
C85 C86 H86 119.3 . . ?
C88 C87 C86 118.6(4) . . ?
C88 C87 C91 120.8(4) . . ?
C86 C87 C91 120.6(4) . . ?
C87 C88 C89 122.3(4) . . ?
C87 C88 H88 118.8 . . ?
C89 C88 H88 118.8 . . ?
C88 C89 C84 118.6(4) . . ?
C88 C89 C92 119.5(4) . . ?
C84 C89 C92 121.8(3) . . ?
C85 C90 H90A 109.5 . . ?
C85 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C85 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C87 C91 H91A 109.5 . . ?
C87 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C87 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C89 C92 H92A 109.5 . . ?
C89 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C89 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C94 C93 C98 119.8(3) . . ?
C94 C93 C83 121.7(3) . . ?
C98 C93 C83 117.6(3) . . ?
C95 C94 C93 119.5(4) . . ?
C95 C94 C99 120.1(3) . . ?
C93 C94 C99 120.2(3) . . ?
C96 C95 C94 122.1(4) . . ?
C96 C95 H95 119.0 . . ?
C94 C95 H95 119.0 . . ?
C95 C96 C97 118.4(4) . . ?
C95 C96 C100 121.4(5) . . ?
C97 C96 C100 120.3(5) . . ?
C96 C97 C98 122.0(4) . . ?
C96 C97 H97 119.0 . . ?
C98 C97 H97 119.0 . . ?
C97 C98 C93 118.2(4) . . ?
C97 C98 C101 119.7(4) . . ?
C93 C98 C101 122.0(4) . . ?
C94 C99 H99A 109.5 . . ?
C94 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C94 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C96 C100 H10A 109.5 . . ?
C96 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C96 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C98 C101 H10D 109.5 . . ?
C98 C101 H10E 109.5 . . ?
H10D C101 H10E 109.5 . . ?
C98 C101 H10F 109.5 . . ?
H10D C101 H10F 109.5 . . ?
H10E C101 H10F 109.5 . . ?
C103 C102 P6 117.2(2) . . ?
C103 C102 P5 120.8(2) . . ?
P6 C102 P5 121.5(2) . . ?
C106 C103 C104 109.7(4) . . ?
C106 C103 C105 107.4(3) . . ?
C104 C103 C105 108.8(3) . . ?
C106 C103 C102 112.8(3) . . ?
C104 C103 C102 107.5(3) . . ?
C105 C103 C102 110.6(3) . . ?
C103 C104 H10G 109.5 . . ?
C103 C104 H10H 109.5 . . ?
H10G C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
C103 C105 H10J 109.5 . . ?
C103 C105 H10K 109.5 . . ?
H10J C105 H10K 109.5 . . ?
C103 C105 H10L 109.5 . . ?
H10J C105 H10L 109.5 . . ?
H10K C105 H10L 109.5 . . ?
C103 C106 H10M 109.5 . . ?
C103 C106 H10N 109.5 . . ?
H10M C106 H10N 109.5 . . ?
C103 C106 H10O 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
C109 C107 C108 120.8(5) 2_565 . ?
C109 C107 H107 119.6 2_565 . ?
C108 C107 H107 119.6 . . ?
C109 C108 C107 119.5(5) . . ?
C109 C108 H108 120.3 . . ?
C107 C108 H108 120.3 . . ?
C107 C109 C108 119.8(6) 2_565 . ?
C107 C109 H109 120.1 2_565 . ?
C108 C109 H109 120.1 . . ?
C202 C201 C206 120.0 . . ?
C202 C201 H201 120.0 . . ?
C206 C201 H201 120.0 . . ?
C201 C202 C203 120.0 . . ?
C201 C202 H202 120.0 . . ?
C203 C202 H202 120.0 . . ?
C204 C203 C202 120.0 . . ?
C204 C203 H203 120.0 . . ?
C202 C203 H203 120.0 . . ?
C203 C204 C205 120.0 . . ?
C203 C204 H204 120.0 . . ?
C205 C204 H204 120.0 . . ?
C206 C205 C204 120.0 . . ?
C206 C205 H205 120.0 . . ?
C204 C205 H205 120.0 . . ?
C205 C206 C201 120.0 . . ?
C205 C206 H206 120.0 . . ?
C201 C206 H206 120.0 . . ?
C302 C301 C306 120.0 . . ?
C302 C301 H301 120.0 . . ?
C306 C301 H301 120.0 . . ?
C301 C302 C303 120.0 . . ?
C301 C302 H302 120.0 . . ?
C303 C302 H302 120.0 . . ?
C302 C303 C304 120.0 . . ?
C302 C303 H303 120.0 . . ?
C304 C303 H303 120.0 . . ?
C305 C304 C303 120.0 . . ?
C305 C304 H304 120.0 . . ?
C303 C304 H304 120.0 . . ?
C306 C305 C304 120.0 . . ?
C306 C305 H305 120.0 . . ?
C304 C305 H305 120.0 . . ?
C305 C306 C301 120.0 . . ?
C305 C306 H306 120.0 . . ?
C301 C306 H306 120.0 . . ?
C208 C207 C212 120.0 . . ?
C208 C207 H207 120.0 . . ?
C212 C207 H207 120.0 . . ?
C209 C208 C207 120.0 . . ?
C209 C208 H208 120.0 . . ?
C207 C208 H208 120.0 . . ?
C210 C209 C208 120.0 . . ?
C210 C209 H209 120.0 . . ?
C208 C209 H209 120.0 . . ?
C209 C210 C211 120.0 . . ?
C209 C210 H210 120.0 . . ?
C211 C210 H210 120.0 . . ?
C210 C211 C212 120.0 . . ?
C210 C211 H211 120.0 . . ?
C212 C211 H211 120.0 . . ?
C211 C212 C207 120.0 . . ?
C211 C212 H212 120.0 . . ?
C207 C212 H212 120.0 . . ?
C308 C307 C312 120.0 . . ?
C308 C307 H307 120.0 . . ?
C312 C307 H307 120.0 . . ?
C307 C308 C309 120.0 . . ?
C307 C308 H308 120.0 . . ?
C309 C308 H308 120.0 . . ?
C310 C309 C308 120.0 . . ?
C310 C309 H309 120.0 . . ?
C308 C309 H309 120.0 . . ?
C311 C310 C309 120.0 . . ?
C311 C310 H310 120.0 . . ?
C309 C310 H310 120.0 . . ?
C310 C311 C312 120.0 . . ?
C310 C311 H311 120.0 . . ?
C312 C311 H311 120.0 . . ?
C311 C312 C307 120.0 . . ?
C311 C312 H312 120.0 . . ?
C307 C312 H312 120.0 . . ?
C214 C213 C218 120.0 . . ?
C214 C213 H213 120.0 . . ?
C218 C213 H213 120.0 . . ?
C213 C214 C215 120.0 . . ?
C213 C214 H214 120.0 . . ?
C215 C214 H214 120.0 . . ?
C214 C215 C216 120.0 . . ?
C214 C215 H215 120.0 . . ?
C216 C215 H215 120.0 . . ?
C217 C216 C215 120.0 . . ?
C217 C216 H216 120.0 . . ?
C215 C216 H216 120.0 . . ?
C216 C217 C218 120.0 . . ?
C216 C217 H217 120.0 . . ?
C218 C217 H217 120.0 . . ?
C217 C218 C213 120.0 . . ?
C217 C218 H218 120.0 . . ?
C213 C218 H218 120.0 . . ?
C220 C219 C224 120.0 . . ?
C220 C219 H219 120.0 . . ?
C224 C219 H219 120.0 . . ?
C221 C220 C219 120.0 . . ?
C221 C220 H220 120.0 . . ?
C219 C220 H220 120.0 . . ?
C220 C221 C222 120.0 . . ?
C220 C221 H221 120.0 . . ?
C222 C221 H221 120.0 . . ?
C221 C222 C223 120.0 . . ?
C221 C222 H222 120.0 . . ?
C223 C222 H222 120.0 . . ?
C222 C223 C224 120.0 . . ?
C222 C223 H223 120.0 . . ?
C224 C223 H223 120.0 . . ?
C223 C224 C219 120.0 . . ?
C223 C224 H224 120.0 . . ?
C219 C224 H224 120.0 . . ?
C320 C319 C324 120.0 . . ?
C320 C319 H319 120.0 . . ?
C324 C319 H319 120.0 . . ?
C319 C320 C321 120.0 . . ?
C319 C320 H320 120.0 . . ?
C321 C320 H320 120.0 . . ?
C322 C321 C320 120.0 . . ?
C322 C321 H321 120.0 . . ?
C320 C321 H321 120.0 . . ?
C321 C322 C323 120.0 . . ?
C321 C322 H322 120.0 . . ?
C323 C322 H322 120.0 . . ?
C324 C323 C322 120.0 . . ?
C324 C323 H323 120.0 . . ?
C322 C323 H323 120.0 . . ?
C323 C324 C319 120.0 . . ?
C323 C324 H324 120.0 . . ?
C319 C324 H324 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C49 P3 N1 C1 -163.7(2) . . . . ?
C49 P3 N1 P1 4.2(2) . . . . ?
N2 P1 N1 C1 -151.4(2) . . . . ?
Au1 P1 N1 C1 115.9(2) . . . . ?
P2 P1 N1 C1 170.4(2) . . . . ?
N2 P1 N1 P3 41.5(2) . . . . ?
Au1 P1 N1 P3 -51.24(19) . . . . ?
P2 P1 N1 P3 3.33(18) . . . . ?
C49 P2 N2 C25 -118.2(3) . . . . ?
Au2 P2 N2 C25 28.9(4) . . . . ?
Au1 P2 N2 C25 142.0(3) . . . . ?
P1 P2 N2 C25 167.8(4) . . . . ?
C49 P2 N2 P1 74.01(17) . . . . ?
Au2 P2 N2 P1 -138.91(9) . . . . ?
Au1 P2 N2 P1 -25.76(12) . . . . ?
N1 P1 N2 C25 110.8(3) . . . . ?
Au1 P1 N2 C25 -144.0(2) . . . . ?
P2 P1 N2 C25 -169.6(3) . . . . ?
N1 P1 N2 P2 -79.60(15) . . . . ?
Au1 P1 N2 P2 25.67(12) . . . . ?
P3 N1 C1 C2 120.3(3) . . . . ?
P1 N1 C1 C2 -48.4(4) . . . . ?
P3 N1 C1 C6 -57.7(3) . . . . ?
P1 N1 C1 C6 133.5(3) . . . . ?
C6 C1 C2 C3 2.0(5) . . . . ?
N1 C1 C2 C3 -176.0(3) . . . . ?
C6 C1 C2 C7 -173.8(3) . . . . ?
N1 C1 C2 C7 8.2(5) . . . . ?
C1 C2 C3 C4 -0.5(5) . . . . ?
C7 C2 C3 C4 175.5(3) . . . . ?
C2 C3 C4 C5 -0.8(5) . . . . ?
C3 C4 C5 C6 0.5(5) . . . . ?
C4 C5 C6 C1 1.0(5) . . . . ?
C4 C5 C6 C16 -175.8(3) . . . . ?
C2 C1 C6 C5 -2.3(5) . . . . ?
N1 C1 C6 C5 175.7(3) . . . . ?
C2 C1 C6 C16 174.1(3) . . . . ?
N1 C1 C6 C16 -7.9(5) . . . . ?
C1 C2 C7 C12 100.9(4) . . . . ?
C3 C2 C7 C12 -74.9(4) . . . . ?
C1 C2 C7 C8 -78.7(4) . . . . ?
C3 C2 C7 C8 105.5(4) . . . . ?
C12 C7 C8 C9 -7.6(5) . . . . ?
C2 C7 C8 C9 172.0(3) . . . . ?
C12 C7 C8 C13 172.5(3) . . . . ?
C2 C7 C8 C13 -7.9(5) . . . . ?
C7 C8 C9 C10 3.2(5) . . . . ?
C13 C8 C9 C10 -176.9(3) . . . . ?
C7 C8 C9 Au1 -90.5(3) . . . . ?
C13 C8 C9 Au1 89.4(3) . . . . ?
C8 C9 C10 C11 2.8(5) . . . . ?
Au1 C9 C10 C11 91.4(3) . . . . ?
C8 C9 C10 C14 -179.6(3) . . . . ?
Au1 C9 C10 C14 -91.0(3) . . . . ?
C9 C10 C11 C12 -4.5(5) . . . . ?
C14 C10 C11 C12 177.9(3) . . . . ?
C8 C7 C12 C11 6.1(5) . . . . ?
C2 C7 C12 C11 -173.5(3) . . . . ?
C8 C7 C12 C15 -175.0(3) . . . . ?
C2 C7 C12 C15 5.4(5) . . . . ?
C10 C11 C12 C7 0.1(5) . . . . ?
C10 C11 C12 C15 -178.9(3) . . . . ?
C5 C6 C16 C17 99.2(4) . . . . ?
C1 C6 C16 C17 -77.3(4) . . . . ?
C5 C6 C16 C21 -69.4(4) . . . . ?
C1 C6 C16 C21 114.1(4) . . . . ?
C21 C16 C17 C18 3.2(5) . . . . ?
C6 C16 C17 C18 -165.6(3) . . . . ?
C21 C16 C17 C22 -175.7(3) . . . . ?
C6 C16 C17 C22 15.5(5) . . . . ?
C16 C17 C18 C19 -2.5(5) . . . . ?
C22 C17 C18 C19 176.5(3) . . . . ?
C17 C18 C19 C20 0.0(5) . . . . ?
C17 C18 C19 C23 -179.2(3) . . . . ?
C18 C19 C20 C21 1.7(5) . . . . ?
C23 C19 C20 C21 -179.0(3) . . . . ?
C19 C20 C21 C16 -1.0(5) . . . . ?
C19 C20 C21 C24 178.3(3) . . . . ?
C17 C16 C21 C20 -1.5(5) . . . . ?
C6 C16 C21 C20 167.1(3) . . . . ?
C17 C16 C21 C24 179.3(3) . . . . ?
C6 C16 C21 C24 -12.1(5) . . . . ?
P2 N2 C25 C26 50.5(5) . . . . ?
P1 N2 C25 C26 -144.0(3) . . . . ?
P2 N2 C25 C30 -129.9(3) . . . . ?
P1 N2 C25 C30 35.7(4) . . . . ?
C30 C25 C26 C27 -10.9(5) . . . . ?
N2 C25 C26 C27 168.8(3) . . . . ?
C30 C25 C26 C31 161.0(3) . . . . ?
N2 C25 C26 C31 -19.4(5) . . . . ?
C25 C26 C27 C28 3.4(6) . . . . ?
C31 C26 C27 C28 -169.0(4) . . . . ?
C26 C27 C28 C29 5.2(6) . . . . ?
C27 C28 C29 C30 -6.4(6) . . . . ?
C28 C29 C30 C25 -1.0(6) . . . . ?
C28 C29 C30 C40 175.0(4) . . . . ?
C26 C25 C30 C29 9.7(5) . . . . ?
N2 C25 C30 C29 -169.9(3) . . . . ?
C26 C25 C30 C40 -166.1(3) . . . . ?
N2 C25 C30 C40 14.2(5) . . . . ?
C27 C26 C31 C36 -92.0(4) . . . . ?
C25 C26 C31 C36 96.0(4) . . . . ?
C27 C26 C31 C32 79.8(4) . . . . ?
C25 C26 C31 C32 -92.1(4) . . . . ?
C36 C31 C32 C33 -5.0(5) . . . . ?
C26 C31 C32 C33 -177.0(3) . . . . ?
C36 C31 C32 C37 171.2(3) . . . . ?
C26 C31 C32 C37 -0.8(5) . . . . ?
C31 C32 C33 C34 3.9(6) . . . . ?
C37 C32 C33 C34 -172.5(4) . . . . ?
C32 C33 C34 C35 0.0(6) . . . . ?
C32 C33 C34 C38 179.8(4) . . . . ?
C33 C34 C35 C36 -2.8(6) . . . . ?
C38 C34 C35 C36 177.3(4) . . . . ?
C32 C31 C36 C35 2.3(5) . . . . ?
C26 C31 C36 C35 173.9(3) . . . . ?
C32 C31 C36 C39 -174.7(3) . . . . ?
C26 C31 C36 C39 -3.1(5) . . . . ?
C34 C35 C36 C31 1.7(6) . . . . ?
C34 C35 C36 C39 178.8(4) . . . . ?
C29 C30 C40 C45 -110.8(4) . . . . ?
C25 C30 C40 C45 65.1(4) . . . . ?
C29 C30 C40 C41 61.4(4) . . . . ?
C25 C30 C40 C41 -122.8(4) . . . . ?
C45 C40 C41 C42 -0.9(5) . . . . ?
C30 C40 C41 C42 -173.2(3) . . . . ?
C45 C40 C41 C46 179.1(3) . . . . ?
C30 C40 C41 C46 6.8(5) . . . . ?
C40 C41 C42 C43 -0.4(5) . . . . ?
C46 C41 C42 C43 179.6(3) . . . . ?
C41 C42 C43 C44 0.2(5) . . . . ?
C41 C42 C43 C47 178.6(4) . . . . ?
C42 C43 C44 C45 1.5(5) . . . . ?
C47 C43 C44 C45 -177.0(4) . . . . ?
C43 C44 C45 C40 -2.8(5) . . . . ?
C43 C44 C45 C48 173.8(3) . . . . ?
C41 C40 C45 C44 2.5(5) . . . . ?
C30 C40 C45 C44 174.6(3) . . . . ?
C41 C40 C45 C48 -174.0(3) . . . . ?
C30 C40 C45 C48 -1.8(5) . . . . ?
N1 P3 C49 C50 156.9(2) . . . . ?
N1 P3 C49 P2 -14.2(2) . . . . ?
N2 P2 C49 C50 164.7(3) . . . . ?
Au2 P2 C49 C50 18.5(3) . . . . ?
Au1 P2 C49 C50 -100.6(3) . . . . ?
P1 P2 C49 C50 -156.6(3) . . . . ?
N2 P2 C49 P3 -24.6(2) . . . . ?
Au2 P2 C49 P3 -170.74(13) . . . . ?
Au1 P2 C49 P3 70.1(2) . . . . ?
P1 P2 C49 P3 14.1(2) . . . . ?
P3 C49 C50 C53 128.2(3) . . . . ?
P2 C49 C50 C53 -60.6(4) . . . . ?
P3 C49 C50 C51 5.2(4) . . . . ?
P2 C49 C50 C51 176.4(3) . . . . ?
P3 C49 C50 C52 -113.8(3) . . . . ?
P2 C49 C50 C52 57.4(4) . . . . ?
C59A C54A C55A C56A 5.5(16) . . . . ?
C59A C54A C55A C60A -173.6(9) . . . . ?
C54A C55A C56A C57A -1.8(13) . . . . ?
C60A C55A C56A C57A 177.5(7) . . . . ?
C55A C56A C57A C58A -3.2(12) . . . . ?
C56A C57A C58A C59A 4.4(11) . . . . ?
C55A C54A C59A C58A -4.5(16) . . . . ?
C55A C54A C59A C69A 173.1(9) . . . . ?
C57A C58A C59A C54A -0.5(14) . . . . ?
C57A C58A C59A C69A -178.2(7) . . . . ?
C56A C55A C60A C65A -96.7(10) . . . . ?
C54A C55A C60A C65A 82.5(13) . . . . ?
C56A C55A C60A C61A 67.8(11) . . . . ?
C54A C55A C60A C61A -113.0(11) . . . . ?
C65A C60A C61A C62A -5.3(13) . . . . ?
C55A C60A C61A C62A -169.5(7) . . . . ?
C65A C60A C61A C66A -177.0(11) . . . . ?
C55A C60A C61A C66A 18.8(14) . . . . ?
C60A C61A C62A C63A 1.5(13) . . . . ?
C66A C61A C62A C63A 173.5(10) . . . . ?
C61A C62A C63A C64A 8.3(12) . . . . ?
C61A C62A C63A C67A -179.4(9) . . . . ?
C62A C63A C64A C65A -14.6(14) . . . . ?
C67A C63A C64A C65A 172.8(10) . . . . ?
C61A C60A C65A C64A -0.8(15) . . . . ?
C55A C60A C65A C64A 163.7(9) . . . . ?
C61A C60A C65A C68A 177.5(10) . . . . ?
C55A C60A C65A C68A -18.1(15) . . . . ?
C63A C64A C65A C60A 11.0(16) . . . . ?
C63A C64A C65A C68A -167.3(10) . . . . ?
C54A C59A C69A C74A 74.6(13) . . . . ?
C58A C59A C69A C74A -107.7(10) . . . . ?
C54A C59A C69A C70A -103.5(12) . . . . ?
C58A C59A C69A C70A 74.2(10) . . . . ?
C74A C69A C70A C71A -4.2(13) . . . . ?
C59A C69A C70A C71A 173.9(7) . . . . ?
C74A C69A C70A C75A -179.5(9) . . . . ?
C59A C69A C70A C75A -1.5(12) . . . . ?
C69A C70A C71A C72A -1.5(13) . . . . ?
C75A C70A C71A C72A 173.9(9) . . . . ?
C70A C71A C72A C73A 3.0(14) . . . . ?
C70A C71A C72A C76A -177.1(9) . . . . ?
C71A C72A C73A C74A 1.2(15) . . . . ?
C76A C72A C73A C74A -178.8(10) . . . . ?
C70A C69A C74A C73A 8.0(14) . . . . ?
C59A C69A C74A C73A -170.1(8) . . . . ?
C70A C69A C74A C77A -176.5(9) . . . . ?
C59A C69A C74A C77A 5.4(14) . . . . ?
C72A C73A C74A C69A -6.6(15) . . . . ?
C72A C73A C74A C77A 177.8(10) . . . . ?
C102 P6 N3 C54B 164.2(5) . . . . ?
C102 P6 N3 P4 -5.2(3) . . . . ?
N4 P4 N3 C54B 152.7(7) . . . . ?
Au3 P4 N3 C54B -114.1(7) . . . . ?
P5 P4 N3 C54B -169.0(7) . . . . ?
N4 P4 N3 P6 -39.0(2) . . . . ?
Au3 P4 N3 P6 54.2(2) . . . . ?
P5 P4 N3 P6 -0.73(19) . . . . ?
C102 P5 N4 C78 117.5(3) . . . . ?
Au4 P5 N4 C78 -28.6(3) . . . . ?
Au3 P5 N4 C78 -141.9(3) . . . . ?
P4 P5 N4 C78 -165.8(4) . . . . ?
C102 P5 N4 P4 -76.70(17) . . . . ?
Au4 P5 N4 P4 137.19(9) . . . . ?
Au3 P5 N4 P4 23.85(12) . . . . ?
N3 P4 N4 C78 -113.3(3) . . . . ?
Au3 P4 N4 C78 143.9(2) . . . . ?
P5 P4 N4 C78 167.5(3) . . . . ?
N3 P4 N4 P5 79.19(15) . . . . ?
Au3 P4 N4 P5 -23.60(12) . . . . ?
P6 N3 C54B C59B -119.8(12) . . . . ?
P4 N3 C54B C59B 50.0(17) . . . . ?
P6 N3 C54B C55B 47.4(16) . . . . ?
P4 N3 C54B C55B -142.8(11) . . . . ?
C59B C54B C55B C56B 2(2) . . . . ?
N3 C54B C55B C56B -165.2(11) . . . . ?
C59B C54B C55B C60B -169.5(12) . . . . ?
N3 C54B C55B C60B 23(2) . . . . ?
C54B C55B C56B C57B -1.4(17) . . . . ?
C60B C55B C56B C57B 170.9(9) . . . . ?
C55B C56B C57B C58B 0.3(15) . . . . ?
C56B C57B C58B C59B 0.6(15) . . . . ?
C55B C54B C59B C58B -1(2) . . . . ?
N3 C54B C59B C58B 166.4(11) . . . . ?
C55B C54B C59B C69B 178.6(12) . . . . ?
N3 C54B C59B C69B -14(2) . . . . ?
C57B C58B C59B C54B -0.2(18) . . . . ?
C57B C58B C59B C69B -179.9(9) . . . . ?
C56B C55B C60B C65B -108.4(13) . . . . ?
C54B C55B C60B C65B 63.1(18) . . . . ?
C56B C55B C60B C61B 67.6(14) . . . . ?
C54B C55B C60B C61B -120.8(15) . . . . ?
C65B C60B C61B C62B 3.8(18) . . . . ?
C55B C60B C61B C62B -172.1(9) . . . . ?
C65B C60B C61B C66B 177.4(14) . . . . ?
C55B C60B C61B C66B 1.4(18) . . . . ?
C60B C61B C62B C63B 5.3(16) . . . . ?
C66B C61B C62B C63B -168.4(13) . . . . ?
C61B C62B C63B C64B -16.9(16) . . . . ?
C61B C62B C63B C67B 178.9(12) . . . . ?
C62B C63B C64B C65B 20.0(18) . . . . ?
C67B C63B C64B C65B -175.4(14) . . . . ?
C61B C60B C65B C64B -1(2) . . . . ?
C55B C60B C65B C64B 175.3(11) . . . . ?
C61B C60B C65B C68B 178.5(13) . . . . ?
C55B C60B C65B C68B -5.4(19) . . . . ?
C63B C64B C65B C60B -11(2) . . . . ?
C63B C64B C65B C68B 169.4(13) . . . . ?
C54B C59B C69B C74B 86.6(16) . . . . ?
C58B C59B C69B C74B -93.6(14) . . . . ?
C54B C59B C69B C70B -95.5(15) . . . . ?
C58B C59B C69B C70B 84.2(13) . . . . ?
C74B C69B C70B C71B -6.5(17) . . . . ?
C59B C69B C70B C71B 175.7(9) . . . . ?
C74B C69B C70B C75B 169.5(12) . . . . ?
C59B C69B C70B C75B -8.3(15) . . . . ?
C69B C70B C71B C72B 3.9(17) . . . . ?
C75B C70B C71B C72B -172.2(11) . . . . ?
C70B C71B C72B C73B 1.5(18) . . . . ?
C70B C71B C72B C76B 179.3(13) . . . . ?
C71B C72B C73B C74B -4.6(19) . . . . ?
C76B C72B C73B C74B 177.7(13) . . . . ?
C71B C72B C73B Au3 -87.6(11) . . . . ?
C76B C72B C73B Au3 94.6(12) . . . . ?
C70B C69B C74B C73B 3.6(18) . . . . ?
C59B C69B C74B C73B -178.6(10) . . . . ?
C70B C69B C74B C77B -169.8(12) . . . . ?
C59B C69B C74B C77B 7.9(18) . . . . ?
C72B C73B C74B C69B 2.0(19) . . . . ?
Au3 C73B C74B C69B 95.7(11) . . . . ?
C72B C73B C74B C77B 175.6(13) . . . . ?
Au3 C73B C74B C77B -90.7(12) . . . . ?
P5 N4 C78 C83 -50.6(4) . . . . ?
P4 N4 C78 C83 146.5(3) . . . . ?
P5 N4 C78 C79 128.1(3) . . . . ?
P4 N4 C78 C79 -34.8(4) . . . . ?
C83 C78 C79 C80 -8.3(5) . . . . ?
N4 C78 C79 C80 173.0(3) . . . . ?
C83 C78 C79 C84 164.1(3) . . . . ?
N4 C78 C79 C84 -14.6(5) . . . . ?
C78 C79 C80 C81 2.3(6) . . . . ?
C84 C79 C80 C81 -170.8(4) . . . . ?
C79 C80 C81 C82 3.7(6) . . . . ?
C80 C81 C82 C83 -3.9(6) . . . . ?
C81 C82 C83 C78 -2.0(6) . . . . ?
C81 C82 C83 C93 174.3(4) . . . . ?
C79 C78 C83 C82 8.1(5) . . . . ?
N4 C78 C83 C82 -173.2(3) . . . . ?
C79 C78 C83 C93 -167.7(3) . . . . ?
N4 C78 C83 C93 11.0(5) . . . . ?
C80 C79 C84 C85 104.5(4) . . . . ?
C78 C79 C84 C85 -68.1(4) . . . . ?
C80 C79 C84 C89 -64.4(4) . . . . ?
C78 C79 C84 C89 123.0(4) . . . . ?
C89 C84 C85 C86 -3.4(5) . . . . ?
C79 C84 C85 C86 -172.3(3) . . . . ?
C89 C84 C85 C90 174.0(3) . . . . ?
C79 C84 C85 C90 5.1(5) . . . . ?
C84 C85 C86 C87 3.8(5) . . . . ?
C90 C85 C86 C87 -173.7(3) . . . . ?
C85 C86 C87 C88 -2.6(6) . . . . ?
C85 C86 C87 C91 177.3(4) . . . . ?
C86 C87 C88 C89 1.0(6) . . . . ?
C91 C87 C88 C89 -178.9(4) . . . . ?
C87 C88 C89 C84 -0.7(6) . . . . ?
C87 C88 C89 C92 179.6(4) . . . . ?
C85 C84 C89 C88 1.9(5) . . . . ?
C79 C84 C89 C88 170.6(3) . . . . ?
C85 C84 C89 C92 -178.4(3) . . . . ?
C79 C84 C89 C92 -9.6(5) . . . . ?
C82 C83 C93 C94 96.3(4) . . . . ?
C78 C83 C93 C94 -87.8(4) . . . . ?
C82 C83 C93 C98 -73.3(4) . . . . ?
C78 C83 C93 C98 102.6(4) . . . . ?
C98 C93 C94 C95 -1.1(5) . . . . ?
C83 C93 C94 C95 -170.5(3) . . . . ?
C98 C93 C94 C99 174.0(3) . . . . ?
C83 C93 C94 C99 4.5(5) . . . . ?
C93 C94 C95 C96 0.1(6) . . . . ?
C99 C94 C95 C96 -174.9(4) . . . . ?
C94 C95 C96 C97 0.2(7) . . . . ?
C94 C95 C96 C100 -178.9(5) . . . . ?
C95 C96 C97 C98 0.5(7) . . . . ?
C100 C96 C97 C98 179.6(5) . . . . ?
C96 C97 C98 C93 -1.4(6) . . . . ?
C96 C97 C98 C101 175.5(4) . . . . ?
C94 C93 C98 C97 1.7(5) . . . . ?
C83 C93 C98 C97 171.6(3) . . . . ?
C94 C93 C98 C101 -175.1(4) . . . . ?
C83 C93 C98 C101 -5.3(5) . . . . ?
N3 P6 C102 C103 -160.0(2) . . . . ?
N3 P6 C102 P5 11.6(3) . . . . ?
N4 P5 C102 C103 -159.6(3) . . . . ?
Au4 P5 C102 C103 -14.5(3) . . . . ?
Au3 P5 C102 C103 104.2(3) . . . . ?
P4 P5 C102 C103 160.7(3) . . . . ?
N4 P5 C102 P6 29.1(2) . . . . ?
Au4 P5 C102 P6 174.17(13) . . . . ?
Au3 P5 C102 P6 -67.1(2) . . . . ?
P4 P5 C102 P6 -10.6(2) . . . . ?
P6 C102 C103 C106 -136.4(3) . . . . ?
P5 C102 C103 C106 51.9(4) . . . . ?
P6 C102 C103 C104 102.5(3) . . . . ?
P5 C102 C103 C104 -69.1(4) . . . . ?
P6 C102 C103 C105 -16.1(4) . . . . ?
P5 C102 C103 C105 172.2(3) . . . . ?
C109 C107 C108 C109 -0.1(10) 2_565 . . . ?
C107 C108 C109 C107 0.1(10) . . . 2_565 ?
C206 C201 C202 C203 0.0 . . . . ?
C201 C202 C203 C204 0.0 . . . . ?
C202 C203 C204 C205 0.0 . . . . ?
C203 C204 C205 C206 0.0 . . . . ?
C204 C205 C206 C201 0.0 . . . . ?
C202 C201 C206 C205 0.0 . . . . ?
C306 C301 C302 C303 0.0 . . . . ?
C301 C302 C303 C304 0.0 . . . . ?
C302 C303 C304 C305 0.0 . . . . ?
C303 C304 C305 C306 0.0 . . . . ?
C304 C305 C306 C301 0.0 . . . . ?
C302 C301 C306 C305 0.0 . . . . ?
C212 C207 C208 C209 0.0 . . . . ?
C207 C208 C209 C210 0.0 . . . . ?
C208 C209 C210 C211 0.0 . . . . ?
C209 C210 C211 C212 0.0 . . . . ?
C210 C211 C212 C207 0.0 . . . . ?
C208 C207 C212 C211 0.0 . . . . ?
C312 C307 C308 C309 0.0 . . . . ?
C307 C308 C309 C310 0.0 . . . . ?
C308 C309 C310 C311 0.0 . . . . ?
C309 C310 C311 C312 0.0 . . . . ?
C310 C311 C312 C307 0.0 . . . . ?
C308 C307 C312 C311 0.0 . . . . ?
C218 C213 C214 C215 0.0 . . . . ?
C213 C214 C215 C216 0.0 . . . . ?
C214 C215 C216 C217 0.0 . . . . ?
C215 C216 C217 C218 0.0 . . . . ?
C216 C217 C218 C213 0.0 . . . . ?
C214 C213 C218 C217 0.0 . . . . ?
C224 C219 C220 C221 0.0 . . . . ?
C219 C220 C221 C222 0.0 . . . . ?
C220 C221 C222 C223 0.0 . . . . ?
C221 C222 C223 C224 0.0 . . . . ?
C222 C223 C224 C219 0.0 . . . . ?
C220 C219 C224 C223 0.0 . . . . ?
C324 C319 C320 C321 0.0 . . . . ?
C319 C320 C321 C322 0.0 . . . . ?
C320 C321 C322 C323 0.0 . . . . ?
C321 C322 C323 C324 0.0 . . . . ?
C322 C323 C324 C319 0.0 . . . . ?
C320 C319 C324 C323 0.0 . . . . ?

_refine_diff_density_max         2.110
_refine_diff_density_min         -2.562
_refine_diff_density_rms         0.164

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/. 
# 
# Audit and citation data items have may been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AH169B
_database_code_depnum_ccdc_archive 'CCDC 1031069'
_audit_update_record             
;
2014-10-26 deposited with the CCDC.
2014-11-26 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2013

#==============================================================================

# CHEMICAL DATA

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C53 H59 Au Cl N2 P3, C6 H6'
_chemical_formula_sum            'C59 H65 Au Cl N2 P3'
_chemical_formula_weight         1127.45

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'
N N 0.0061 0.0033 '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'

#==============================================================================

# CRYSTAL DATA

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+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                   19.8747(5)
_cell_length_b                   12.2909(5)
_cell_length_c                   44.9360(14)
_cell_angle_alpha                90
_cell_angle_beta                 101.502(2)
_cell_angle_gamma                90
_cell_volume                     10756.4(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9943
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      21.79

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_F_000             4592
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    2.913
_shelx_estimated_absorpt_T_min   0.580
_shelx_estimated_absorpt_T_max   0.868
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6142
_exptl_absorpt_correction_T_max  0.7456
__exptl_absorpt_process_details  '(SADABS; Sheldrick, 2004)'

#==============================================================================

# EXPERIMENTAL DATA

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            109237
_diffrn_reflns_av_unetI/netI     0.0702
_diffrn_reflns_av_R_equivalents  0.0767
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -57
_diffrn_reflns_limit_l_max       58
_diffrn_reflns_theta_min         1.387
_diffrn_reflns_theta_max         27.493
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.013
_diffrn_measured_fraction_theta_full 1.014
_diffrn_reflns_Laue_measured_fraction_max 1.013
_diffrn_reflns_Laue_measured_fraction_full 1.014
_diffrn_reflns_point_group_measured_fraction_max 1.013
_diffrn_reflns_point_group_measured_fraction_full 1.014
_reflns_number_total             12314
_reflns_number_gt                9172
_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       'Bruker Apex V7.51A'
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-2013

#==============================================================================

# REFINEMENT DATA 

_refine_special_details          
;
 All H atoms were positioned geometrically and refined using a riding model, 
 with C---H = 0.98 (methyl groups), 0.99Å (methylene groups), 
 1.00Å (methine groups) or 0.95 Å (aryl CH) and with Uiso(H) = 
 1.5 times Ueq(C) (methyl groups) or with Uiso(H) = 1.2 times 
 Ueq(C) (methylene  groups, aryl CH, methine groups). Torsion angles 
 of all methyl groups were allowed to refine.  
 
 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 > 2σ(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.
 
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+205.6607P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12314
_refine_ls_number_parameters     609
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.1119
_refine_ls_R_factor_gt           0.0803
_refine_ls_wR_factor_ref         0.1528
_refine_ls_wR_factor_gt          0.1443
_refine_ls_goodness_of_fit_ref   1.253
_refine_ls_restrained_S_all      1.251
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

#==============================================================================

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

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 0.05449(2) 0.93867(3) 0.13851(2) 0.03967(11) Uani 1 1 d . . . . .
Cl1 Cl 0.01294(14) 1.1192(2) 0.13859(7) 0.0610(8) Uani 1 1 d . . . . .
P1 P 0.08912(11) 0.7560(2) 0.14756(5) 0.0338(5) Uani 1 1 d . . . . .
P2 P -0.03346(11) 0.81589(19) 0.11672(5) 0.0303(5) Uani 1 1 d . . . . .
P3 P 0.06473(12) 0.71519(19) 0.07918(5) 0.0341(5) Uani 1 1 d . . . . .
N1 N 0.1141(3) 0.7088(6) 0.11483(16) 0.0346(17) Uani 1 1 d . . . . .
C1 C 0.1850(4) 0.6767(8) 0.1156(2) 0.040(2) Uani 1 1 d . . . . .
C2 C 0.2385(5) 0.7478(9) 0.1287(2) 0.046(2) Uani 1 1 d . . . . .
C3 C 0.3065(5) 0.7191(9) 0.1285(3) 0.059(3) Uani 1 1 d . . . . .
H3 H 0.3432 0.7655 0.1375 0.071 Uiso 1 1 calc R U . . .
C4 C 0.3197(6) 0.6227(11) 0.1150(3) 0.074(4) Uani 1 1 d . . . . .
H4 H 0.3659 0.6043 0.1144 0.089 Uiso 1 1 calc R U . . .
C5 C 0.2678(5) 0.5521(10) 0.1023(3) 0.065(3) Uani 1 1 d . . . . .
H5 H 0.2781 0.4855 0.0935 0.078 Uiso 1 1 calc R U . . .
C6 C 0.1994(5) 0.5808(8) 0.1027(2) 0.046(2) Uani 1 1 d . . . . .
C7 C 0.2250(4) 0.8504(9) 0.1441(2) 0.044(2) Uani 1 1 d . . . . .
C8 C 0.1988(4) 0.9422(9) 0.1275(2) 0.042(2) Uani 1 1 d . . . . .
C9 C 0.1830(4) 1.0328(8) 0.1425(2) 0.043(2) Uani 1 1 d . . . . .
H9 H 0.1641 1.0946 0.1311 0.052 Uiso 1 1 calc R U . . .
C10 C 0.1941(5) 1.0363(11) 0.1746(3) 0.061(3) Uani 1 1 d . . . . .
C11 C 0.2222(5) 0.9445(13) 0.1902(2) 0.065(4) Uani 1 1 d . . . . .
H11 H 0.2303 0.9458 0.2117 0.078 Uiso 1 1 calc R U . . .
C12 C 0.2389(4) 0.8531(10) 0.1765(2) 0.049(3) Uani 1 1 d . . . . .
C13 C 0.1891(5) 0.9441(9) 0.0935(2) 0.049(2) Uani 1 1 d . . . . .
H13A H 0.1699 0.8744 0.0852 0.073 Uiso 1 1 calc R U . . .
H13B H 0.2335 0.9561 0.0877 0.073 Uiso 1 1 calc R U . . .
H13C H 0.1575 1.0031 0.0853 0.073 Uiso 1 1 calc R U . . .
C14 C 0.1777(7) 1.1385(11) 0.1905(3) 0.080(4) Uani 1 1 d . . . . .
H14A H 0.1294 1.1577 0.1833 0.120 Uiso 1 1 calc R U . . .
H14B H 0.2069 1.1982 0.1861 0.120 Uiso 1 1 calc R U . . .
H14C H 0.1863 1.1257 0.2124 0.120 Uiso 1 1 calc R U . . .
C15 C 0.2682(5) 0.7556(11) 0.1944(3) 0.075(4) Uani 1 1 d . . . . .
H15A H 0.3134 0.7388 0.1899 0.113 Uiso 1 1 calc R U . . .
H15B H 0.2375 0.6933 0.1889 0.113 Uiso 1 1 calc R U . . .
H15C H 0.2731 0.7708 0.2161 0.113 Uiso 1 1 calc R U . . .
C16 C 0.1479(5) 0.4936(8) 0.0899(2) 0.042(2) Uani 1 1 d . . . . .
C17 C 0.1190(5) 0.4265(9) 0.1095(3) 0.053(3) Uani 1 1 d . . . . .
C18 C 0.0771(6) 0.3424(9) 0.0975(3) 0.061(3) Uani 1 1 d . . . . .
H18 H 0.0596 0.2953 0.1109 0.073 Uiso 1 1 calc R U . . .
C19 C 0.0595(6) 0.3236(9) 0.0666(3) 0.068(3) Uani 1 1 d . . . . .
C20 C 0.0876(6) 0.3896(9) 0.0479(3) 0.068(3) Uani 1 1 d . . . . .
H20 H 0.0765 0.3769 0.0266 0.081 Uiso 1 1 calc R U . . .
C21 C 0.1318(5) 0.4741(8) 0.0588(3) 0.049(3) Uani 1 1 d . . . . .
C22 C 0.1357(6) 0.4470(12) 0.1438(3) 0.075(4) Uani 1 1 d . . . . .
H22A H 0.1825 0.4755 0.1497 0.112 Uiso 1 1 calc R U . . .
H22B H 0.1320 0.3786 0.1545 0.112 Uiso 1 1 calc R U . . .
H22C H 0.1031 0.5001 0.1491 0.112 Uiso 1 1 calc R U . . .
C23 C 0.0112(9) 0.2311(11) 0.0544(4) 0.112(6) Uani 1 1 d . . . . .
H23A H -0.0261 0.2588 0.0386 0.168 Uiso 1 1 calc R U . . .
H23B H -0.0081 0.2000 0.0710 0.168 Uiso 1 1 calc R U . . .
H23C H 0.0365 0.1747 0.0458 0.168 Uiso 1 1 calc R U . . .
C24 C 0.1607(7) 0.5395(10) 0.0362(3) 0.072(4) Uani 1 1 d . . . . .
H24A H 0.2059 0.5106 0.0347 0.107 Uiso 1 1 calc R U . . .
H24B H 0.1654 0.6156 0.0428 0.107 Uiso 1 1 calc R U . . .
H24C H 0.1298 0.5352 0.0163 0.107 Uiso 1 1 calc R U . . .
N2A N 0.0054(14) 0.704(3) 0.1397(4) 0.030(2) Uani 0.543(8) 1 d D . P A 1
C25A C -0.0298(6) 0.6365(9) 0.1575(2) 0.030(2) Uani 0.543(8) 1 d DG . P A 1
C26A C -0.0900(7) 0.5851(11) 0.1433(2) 0.033(2) Uani 0.543(8) 1 d DG . P A 1
C27A C -0.1212(5) 0.5094(10) 0.1591(2) 0.031(3) Uani 0.543(8) 1 d DG . P A 1
H27A H -0.1623 0.4743 0.1494 0.038 Uiso 0.543(8) 1 calc R U P A 1
C28A C -0.0922(5) 0.4849(9) 0.1891(2) 0.030(2) Uani 0.543(8) 1 d DG . P A 1
H28A H -0.1135 0.4332 0.2000 0.036 Uiso 0.543(8) 1 calc R U P A 1
C29A C -0.0320(5) 0.5363(9) 0.20335(16) 0.033(2) Uani 0.543(8) 1 d DG . P A 1
H29A H -0.0122 0.5196 0.2239 0.039 Uiso 0.543(8) 1 calc R U P A 1
C30A C -0.0008(5) 0.6120(9) 0.1875(2) 0.031(3) Uani 0.543(8) 1 d DG . P A 1
C40A C 0.0536(7) 0.6803(18) 0.2071(4) 0.046(4) Uani 0.543(8) 1 d D . P A 1
C41A C 0.0414(9) 0.7858(19) 0.2125(4) 0.041(3) Uani 0.543(8) 1 d D . P A 1
C42A C 0.0887(8) 0.8522(16) 0.2323(4) 0.044(3) Uani 0.543(8) 1 d D . P A 1
H42A H 0.0783 0.9264 0.2351 0.053 Uiso 0.543(8) 1 calc R U P A 1
C43A C 0.1499(11) 0.8084(18) 0.2473(5) 0.046(4) Uani 0.543(8) 1 d D . P A 1
C44A C 0.1608(7) 0.6983(16) 0.2429(3) 0.041(3) Uani 0.543(8) 1 d D . P A 1
H44A H 0.2011 0.6650 0.2541 0.050 Uiso 0.543(8) 1 calc R U P A 1
C45A C 0.1150(10) 0.636(2) 0.2229(5) 0.044(3) Uani 0.543(8) 1 d D . P A 1
C46A C -0.0268(10) 0.8447(18) 0.1994(5) 0.046(6) Uani 0.543(8) 1 d D . P A 1
H46A H -0.0279 0.8639 0.1781 0.068 Uiso 0.543(8) 1 calc R U P A 1
H46B H -0.0302 0.9109 0.2111 0.068 Uiso 0.543(8) 1 calc R U P A 1
H46C H -0.0654 0.7965 0.2005 0.068 Uiso 0.543(8) 1 calc R U P A 1
C47A C 0.1996(10) 0.875(2) 0.2697(4) 0.070(8) Uani 0.543(8) 1 d D . P A 1
H47A H 0.2467 0.8522 0.2695 0.106 Uiso 0.543(8) 1 calc R U P A 1
H47B H 0.1903 0.8650 0.2901 0.106 Uiso 0.543(8) 1 calc R U P A 1
H47C H 0.1943 0.9525 0.2642 0.106 Uiso 0.543(8) 1 calc R U P A 1
C48A C 0.1298(11) 0.518(2) 0.2178(5) 0.063(7) Uani 0.543(8) 1 d D . P A 1
H48A H 0.1711 0.5121 0.2091 0.095 Uiso 0.543(8) 1 calc R U P A 1
H48B H 0.0908 0.4855 0.2038 0.095 Uiso 0.543(8) 1 calc R U P A 1
H48C H 0.1372 0.4789 0.2373 0.095 Uiso 0.543(8) 1 calc R U P A 1
N2B N 0.0045(17) 0.716(4) 0.1395(5) 0.030(2) Uani 0.457(8) 1 d D . P A 2
C25B C -0.0336(8) 0.6626(12) 0.1589(2) 0.030(2) Uani 0.457(8) 1 d DG . P A 2
C26B C -0.0926(8) 0.6057(13) 0.1459(2) 0.033(2) Uani 0.457(8) 1 d DG . P A 2
C27B C -0.1262(6) 0.5423(11) 0.1640(3) 0.031(3) Uani 0.457(8) 1 d DG . P A 2
H27B H -0.1665 0.5034 0.1551 0.038 Uiso 0.457(8) 1 calc R U P A 2
C28B C -0.1008(6) 0.5358(11) 0.1951(3) 0.030(2) Uani 0.457(8) 1 d DG . P A 2
H28B H -0.1238 0.4924 0.2075 0.036 Uiso 0.457(8) 1 calc R U P A 2
C29B C -0.0418(6) 0.5927(11) 0.20810(18) 0.033(2) Uani 0.457(8) 1 d DG . P A 2
H29B H -0.0245 0.5883 0.2294 0.039 Uiso 0.457(8) 1 calc R U P A 2
C30B C -0.0082(6) 0.6562(10) 0.1900(2) 0.031(3) Uani 0.457(8) 1 d DG . P A 2
C40B C 0.0422(9) 0.7361(19) 0.2078(4) 0.046(4) Uani 0.457(8) 1 d D . P A 2
C41B C 0.0237(10) 0.841(2) 0.2108(5) 0.041(3) Uani 0.457(8) 1 d D . P A 2
C42B C 0.0659(9) 0.9173(17) 0.2292(4) 0.044(3) Uani 0.457(8) 1 d D . P A 2
H42B H 0.0522 0.9913 0.2294 0.053 Uiso 0.457(8) 1 calc R U P A 2
C43B C 0.1270(9) 0.8837(18) 0.2469(4) 0.046(4) Uani 0.457(8) 1 d D . P A 2
C44B C 0.1439(12) 0.7741(18) 0.2458(6) 0.041(3) Uani 0.457(8) 1 d D . P A 2
H44B H 0.1837 0.7475 0.2590 0.050 Uiso 0.457(8) 1 calc R U P A 2
C45B C 0.1042(9) 0.703(2) 0.2259(4) 0.044(3) Uani 0.457(8) 1 d D . P A 2
C46B C -0.0464(12) 0.888(2) 0.1950(6) 0.047(7) Uani 0.457(8) 1 d D . P A 2
H46D H -0.0555 0.8684 0.1734 0.071 Uiso 0.457(8) 1 calc R U P A 2
H46E H -0.0454 0.9674 0.1971 0.071 Uiso 0.457(8) 1 calc R U P A 2
H46F H -0.0827 0.8582 0.2045 0.071 Uiso 0.457(8) 1 calc R U P A 2
C47B C 0.1704(12) 0.961(2) 0.2689(5) 0.076(10) Uani 0.457(8) 1 d D . P A 2
H47D H 0.2130 0.9767 0.2619 0.114 Uiso 0.457(8) 1 calc R U P A 2
H47E H 0.1812 0.9277 0.2891 0.114 Uiso 0.457(8) 1 calc R U P A 2
H47F H 0.1450 1.0289 0.2699 0.114 Uiso 0.457(8) 1 calc R U P A 2
C48B C 0.1262(14) 0.586(2) 0.2242(6) 0.056(9) Uani 0.457(8) 1 d D . P A 2
H48D H 0.1225 0.5650 0.2029 0.084 Uiso 0.457(8) 1 calc R U P A 2
H48E H 0.0964 0.5393 0.2337 0.084 Uiso 0.457(8) 1 calc R U P A 2
H48F H 0.1738 0.5780 0.2350 0.084 Uiso 0.457(8) 1 calc R U P A 2
C31 C -0.1334(4) 0.6213(7) 0.1136(2) 0.0304(19) Uani 1 1 d D . . . .
C32 C -0.1242(4) 0.5625(8) 0.0880(2) 0.043(2) Uani 1 1 d . . . . .
C33 C -0.1706(5) 0.5754(9) 0.0605(2) 0.051(3) Uani 1 1 d . . . . .
H33 H -0.1642 0.5364 0.0431 0.062 Uiso 1 1 calc R U . . .
C34 C -0.2262(5) 0.6447(9) 0.0586(2) 0.052(3) Uani 1 1 d . . . . .
C35 C -0.2343(5) 0.7022(8) 0.0833(2) 0.044(2) Uani 1 1 d . . . . .
H35 H -0.2723 0.7504 0.0816 0.052 Uiso 1 1 calc R U . . .
C36 C -0.1894(4) 0.6931(7) 0.1109(2) 0.034(2) Uani 1 1 d . . . . .
C37 C -0.0656(5) 0.4836(9) 0.0903(3) 0.060(3) Uani 1 1 d . . . . .
H37A H -0.0641 0.4550 0.0701 0.090 Uiso 1 1 calc R U . . .
H37B H -0.0721 0.4235 0.1038 0.090 Uiso 1 1 calc R U . . .
H37C H -0.0223 0.5210 0.0986 0.090 Uiso 1 1 calc R U . . .
C38 C -0.2778(6) 0.6509(12) 0.0279(3) 0.088(5) Uani 1 1 d . . . . .
H38A H -0.2531 0.6418 0.0112 0.132 Uiso 1 1 calc R U . . .
H38B H -0.3008 0.7217 0.0260 0.132 Uiso 1 1 calc R U . . .
H38C H -0.3120 0.5929 0.0269 0.132 Uiso 1 1 calc R U . . .
C39 C -0.2023(5) 0.7623(8) 0.1369(2) 0.050(3) Uani 1 1 d . . . . .
H39A H -0.1667 0.8184 0.1415 0.075 Uiso 1 1 calc R U . . .
H39B H -0.2011 0.7164 0.1549 0.075 Uiso 1 1 calc R U . . .
H39C H -0.2474 0.7970 0.1313 0.075 Uiso 1 1 calc R U . . .
C49 C -0.0045(4) 0.7910(7) 0.08221(18) 0.0306(19) Uani 1 1 d . . . . .
C50 C -0.0441(4) 0.8448(7) 0.05241(19) 0.034(2) Uani 1 1 d . . . . .
C51 C -0.1124(5) 0.8939(10) 0.0566(2) 0.057(3) Uani 1 1 d . . . . .
H51A H -0.1347 0.9303 0.0378 0.086 Uiso 1 1 calc R U . . .
H51B H -0.1040 0.9470 0.0732 0.086 Uiso 1 1 calc R U . . .
H51C H -0.1424 0.8360 0.0614 0.086 Uiso 1 1 calc R U . . .
C52 C -0.0579(6) 0.7620(9) 0.0267(2) 0.054(3) Uani 1 1 d . . . . .
H52A H -0.0808 0.7979 0.0079 0.081 Uiso 1 1 calc R U . . .
H52B H -0.0874 0.7039 0.0318 0.081 Uiso 1 1 calc R U . . .
H52C H -0.0143 0.7308 0.0237 0.081 Uiso 1 1 calc R U . . .
C53 C 0.0007(6) 0.9365(10) 0.0440(2) 0.067(3) Uani 1 1 d . . . . .
H53A H 0.0409 0.9052 0.0376 0.100 Uiso 1 1 calc R U . . .
H53B H 0.0158 0.9836 0.0616 0.100 Uiso 1 1 calc R U . . .
H53C H -0.0259 0.9794 0.0273 0.100 Uiso 1 1 calc R U . . .
C113 C 0.0662(8) 0.1592(14) 0.2597(5) 0.093(7) Uani 0.5 1 d G . P B 1
H113 H 0.1083 0.1201 0.2628 0.112 Uiso 0.5 1 calc R U P B 1
C114 C 0.0294(10) 0.1772(15) 0.2304(4) 0.078(6) Uani 0.5 1 d G . P B 1
H114 H 0.0463 0.1505 0.2135 0.094 Uiso 0.5 1 calc R U P B 1
C115 C -0.0322(9) 0.2343(17) 0.2260(4) 0.079(6) Uani 0.5 1 d G . P B 1
H115 H -0.0574 0.2467 0.2059 0.094 Uiso 0.5 1 calc R U P B 1
C116 C -0.0569(7) 0.2734(15) 0.2508(5) 0.093(7) Uani 0.5 1 d G . P B 1
H116 H -0.0990 0.3124 0.2477 0.112 Uiso 0.5 1 calc R U P B 1
C117 C -0.0201(10) 0.2553(14) 0.2800(4) 0.078(6) Uani 0.5 1 d G . P B 1
H117 H -0.0370 0.2820 0.2970 0.094 Uiso 0.5 1 calc R U P B 1
C118 C 0.0414(10) 0.1982(16) 0.2845(4) 0.079(6) Uani 0.5 1 d G . P B 1
H118 H 0.0666 0.1859 0.3045 0.094 Uiso 0.5 1 calc R U P B 1
C107 C 0.314(4) 0.680(4) 0.0136(17) 0.099(10) Uani 0.5 1 d G . P C 2
H107 H 0.3540 0.6432 0.0239 0.118 Uiso 0.5 1 calc R U P C 2
C108 C 0.286(4) 0.654(4) -0.0165(17) 0.100(10) Uani 0.5 1 d G . P C 2
H108 H 0.3071 0.6000 -0.0267 0.119 Uiso 0.5 1 calc R U P C 2
C109 C 0.228(4) 0.708(4) -0.0317(17) 0.101(11) Uani 0.5 1 d G . P C 2
H109 H 0.2089 0.6907 -0.0522 0.122 Uiso 0.5 1 calc R U P C 2
C110 C 0.197(4) 0.788(4) -0.0168(18) 0.099(10) Uani 0.5 1 d G . P C 2
H110 H 0.1575 0.8244 -0.0271 0.118 Uiso 0.5 1 calc R U P C 2
C111 C 0.225(4) 0.813(3) 0.0133(18) 0.100(10) Uani 0.5 1 d G . P C 2
H111 H 0.2043 0.8675 0.0235 0.119 Uiso 0.5 1 calc R U P C 2
C112 C 0.284(4) 0.759(4) 0.0285(17) 0.101(11) Uani 0.5 1 d G . P C 2
H112 H 0.3026 0.7769 0.0490 0.122 Uiso 0.5 1 calc R U P C 2


#==============================================================================

# MOLECULAR GEOMETRY

_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 P1 2.359(3) . ?
Au1 Cl1 2.368(3) . ?
Au1 P2 2.368(2) . ?
P1 N2B 1.72(2) . ?
P1 N1 1.743(8) . ?
P1 N2A 1.753(19) . ?
P1 P2 2.655(3) . ?
P2 N2B 1.68(4) . ?
P2 C49 1.785(8) . ?
P2 N2A 1.80(3) . ?
P3 C49 1.690(9) . ?
P3 N1 1.706(7) . ?
N1 C1 1.456(11) . ?
C1 C6 1.370(13) . ?
C1 C2 1.412(13) . ?
C2 C3 1.398(13) . ?
C2 C7 1.487(14) . ?
C3 C4 1.380(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(16) . ?
C4 H4 0.9500 . ?
C5 C6 1.408(13) . ?
C5 H5 0.9500 . ?
C6 C16 1.513(13) . ?
C7 C8 1.395(14) . ?
C7 C12 1.427(14) . ?
C8 C9 1.369(13) . ?
C8 C13 1.505(12) . ?
C9 C10 1.415(14) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(17) . ?
C10 C14 1.512(16) . ?
C11 C12 1.354(16) . ?
C11 H11 0.9500 . ?
C12 C15 1.495(15) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.393(14) . ?
C16 C17 1.409(14) . ?
C17 C18 1.368(15) . ?
C17 C22 1.531(15) . ?
C18 C19 1.382(16) . ?
C18 H18 0.9500 . ?
C19 C20 1.367(16) . ?
C19 C23 1.519(16) . ?
C20 C21 1.385(14) . ?
C20 H20 0.9500 . ?
C21 C24 1.497(14) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
N2A C25A 1.426(9) . ?
C25A C26A 1.3900 . ?
C25A C30A 1.3900 . ?
C26A C27A 1.3900 . ?
C26A C31 1.505(10) . ?
C27A C28A 1.3900 . ?
C27A H27A 0.9500 . ?
C28A C29A 1.3900 . ?
C28A H28A 0.9500 . ?
C29A C30A 1.3900 . ?
C29A H29A 0.9500 . ?
C30A C40A 1.505(15) . ?
C40A C41A 1.35(2) . ?
C40A C45A 1.39(2) . ?
C41A C42A 1.416(18) . ?
C41A C46A 1.55(2) . ?
C42A C43A 1.38(2) . ?
C42A H42A 0.9500 . ?
C43A C44A 1.39(3) . ?
C43A C47A 1.51(2) . ?
C44A C45A 1.38(2) . ?
C44A H44A 0.9500 . ?
C45A C48A 1.51(3) . ?
C46A H46A 0.9800 . ?
C46A H46B 0.9800 . ?
C46A H46C 0.9800 . ?
C47A H47A 0.9800 . ?
C47A H47B 0.9800 . ?
C47A H47C 0.9800 . ?
C48A H48A 0.9800 . ?
C48A H48B 0.9800 . ?
C48A H48C 0.9800 . ?
N2B C25B 1.426(10) . ?
C25B C26B 1.3900 . ?
C25B C30B 1.3900 . ?
C26B C27B 1.3900 . ?
C26B C31 1.527(10) . ?
C27B C28B 1.3900 . ?
C27B H27B 0.9500 . ?
C28B C29B 1.3900 . ?
C28B H28B 0.9500 . ?
C29B C30B 1.3900 . ?
C29B H29B 0.9500 . ?
C30B C40B 1.513(15) . ?
C40B C41B 1.35(2) . ?
C40B C45B 1.40(2) . ?
C41B C42B 1.416(18) . ?
C41B C46B 1.54(2) . ?
C42B C43B 1.38(2) . ?
C42B H42B 0.9500 . ?
C43B C44B 1.39(3) . ?
C43B C47B 1.51(2) . ?
C44B C45B 1.38(2) . ?
C44B H44B 0.9500 . ?
C45B C48B 1.51(3) . ?
C46B H46D 0.9800 . ?
C46B H46E 0.9800 . ?
C46B H46F 0.9800 . ?
C47B H47D 0.9800 . ?
C47B H47E 0.9800 . ?
C47B H47F 0.9800 . ?
C48B H48D 0.9800 . ?
C48B H48E 0.9800 . ?
C48B H48F 0.9800 . ?
C31 C32 1.402(12) . ?
C31 C36 1.407(11) . ?
C32 C33 1.394(13) . ?
C32 C37 1.503(14) . ?
C33 C34 1.384(15) . ?
C33 H33 0.9500 . ?
C34 C35 1.350(14) . ?
C34 C38 1.551(13) . ?
C35 C36 1.380(12) . ?
C35 H35 0.9500 . ?
C36 C39 1.510(13) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C49 C50 1.559(11) . ?
C50 C52 1.525(12) . ?
C50 C53 1.531(13) . ?
C50 C51 1.531(13) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C113 C114 1.3900 . ?
C113 C118 1.3900 . ?
C113 H113 0.9500 . ?
C114 C115 1.3900 . ?
C114 H114 0.9500 . ?
C115 C116 1.3900 . ?
C115 H115 0.9500 . ?
C116 C117 1.3900 . ?
C116 H116 0.9500 . ?
C117 C118 1.3900 . ?
C117 H117 0.9500 . ?
C118 H118 0.9500 . ?
C107 C108 1.3900 . ?
C107 C112 1.3900 . ?
C107 H107 0.9500 . ?
C108 C109 1.3900 . ?
C108 H108 0.9500 . ?
C109 C110 1.3900 . ?
C109 H109 0.9500 . ?
C110 C111 1.3900 . ?
C110 H110 0.9500 . ?
C111 C112 1.3900 . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?

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
P1 Au1 Cl1 168.87(10) . . ?
P1 Au1 P2 68.34(8) . . ?
Cl1 Au1 P2 111.64(9) . . ?
N2B P1 N1 99.2(13) . . ?
N1 P1 N2A 97.3(11) . . ?
N2B P1 Au1 89.7(16) . . ?
N1 P1 Au1 107.1(3) . . ?
N2A P1 Au1 94.7(13) . . ?
N2B P1 P2 38.0(12) . . ?
N1 P1 P2 92.2(2) . . ?
N2A P1 P2 42.4(10) . . ?
Au1 P1 P2 55.99(7) . . ?
N2B P2 C49 102.8(14) . . ?
C49 P2 N2A 101.1(11) . . ?
N2B P2 Au1 90.4(9) . . ?
C49 P2 Au1 97.4(3) . . ?
N2A P2 Au1 93.1(7) . . ?
N2B P2 P1 39.1(7) . . ?
C49 P2 P1 89.1(3) . . ?
N2A P2 P1 41.0(6) . . ?
Au1 P2 P1 55.67(7) . . ?
C49 P3 N1 106.0(4) . . ?
C1 N1 P3 114.1(6) . . ?
C1 N1 P1 120.4(6) . . ?
P3 N1 P1 124.7(4) . . ?
C6 C1 C2 120.4(9) . . ?
C6 C1 N1 120.4(8) . . ?
C2 C1 N1 119.2(9) . . ?
C3 C2 C1 119.3(10) . . ?
C3 C2 C7 118.8(9) . . ?
C1 C2 C7 121.8(8) . . ?
C4 C3 C2 119.3(10) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 121.9(10) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
C4 C5 C6 118.8(11) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
C1 C6 C5 120.3(10) . . ?
C1 C6 C16 126.0(8) . . ?
C5 C6 C16 113.6(9) . . ?
C8 C7 C12 120.1(10) . . ?
C8 C7 C2 121.4(9) . . ?
C12 C7 C2 118.5(10) . . ?
C9 C8 C7 119.6(9) . . ?
C9 C8 C13 119.4(10) . . ?
C7 C8 C13 120.9(9) . . ?
C8 C9 C10 121.3(10) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 H9 119.3 . . ?
C11 C10 C9 117.2(11) . . ?
C11 C10 C14 122.6(11) . . ?
C9 C10 C14 120.2(12) . . ?
C12 C11 C10 123.8(11) . . ?
C12 C11 H11 118.1 . . ?
C10 C11 H11 118.1 . . ?
C11 C12 C7 117.9(11) . . ?
C11 C12 C15 121.7(11) . . ?
C7 C12 C15 120.4(11) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 119.1(9) . . ?
C21 C16 C6 120.4(9) . . ?
C17 C16 C6 120.4(9) . . ?
C18 C17 C16 119.3(11) . . ?
C18 C17 C22 120.8(11) . . ?
C16 C17 C22 119.9(10) . . ?
C17 C18 C19 122.2(11) . . ?
C17 C18 H18 118.9 . . ?
C19 C18 H18 118.9 . . ?
C20 C19 C18 117.9(11) . . ?
C20 C19 C23 121.9(13) . . ?
C18 C19 C23 120.2(12) . . ?
C19 C20 C21 122.3(12) . . ?
C19 C20 H20 118.8 . . ?
C21 C20 H20 118.8 . . ?
C20 C21 C16 119.1(10) . . ?
C20 C21 C24 117.7(11) . . ?
C16 C21 C24 123.1(10) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C25A N2A P1 130.7(12) . . ?
C25A N2A P2 124(2) . . ?
P1 N2A P2 96.6(10) . . ?
C26A C25A C30A 120.0 . . ?
C26A C25A N2A 118.6(7) . . ?
C30A C25A N2A 121.0(7) . . ?
C27A C26A C25A 120.0 . . ?
C27A C26A C31 114.6(8) . . ?
C25A C26A C31 124.2(8) . . ?
C26A C27A C28A 120.0 . . ?
C26A C27A H27A 120.0 . . ?
C28A C27A H27A 120.0 . . ?
C27A C28A C29A 120.0 . . ?
C27A C28A H28A 120.0 . . ?
C29A C28A H28A 120.0 . . ?
C28A C29A C30A 120.0 . . ?
C28A C29A H29A 120.0 . . ?
C30A C29A H29A 120.0 . . ?
C29A C30A C25A 120.0 . . ?
C29A C30A C40A 114.6(7) . . ?
C25A C30A C40A 123.9(8) . . ?
C41A C40A C45A 116.9(16) . . ?
C41A C40A C30A 120.4(14) . . ?
C45A C40A C30A 122.3(19) . . ?
C40A C41A C42A 123.1(17) . . ?
C40A C41A C46A 123.8(13) . . ?
C42A C41A C46A 113.0(18) . . ?
C43A C42A C41A 119.5(18) . . ?
C43A C42A H42A 120.2 . . ?
C41A C42A H42A 120.2 . . ?
C42A C43A C44A 117.2(15) . . ?
C42A C43A C47A 121(2) . . ?
C44A C43A C47A 121.8(19) . . ?
C45A C44A C43A 122.2(18) . . ?
C45A C44A H44A 118.9 . . ?
C43A C44A H44A 118.9 . . ?
C44A C45A C40A 121(2) . . ?
C44A C45A C48A 120.7(17) . . ?
C40A C45A C48A 118.4(18) . . ?
C41A C46A H46A 109.5 . . ?
C41A C46A H46B 109.5 . . ?
H46A C46A H46B 109.5 . . ?
C41A C46A H46C 109.5 . . ?
H46A C46A H46C 109.5 . . ?
H46B C46A H46C 109.5 . . ?
C43A C47A H47A 109.5 . . ?
C43A C47A H47B 109.5 . . ?
H47A C47A H47B 109.5 . . ?
C43A C47A H47C 109.5 . . ?
H47A C47A H47C 109.5 . . ?
H47B C47A H47C 109.5 . . ?
C45A C48A H48A 109.5 . . ?
C45A C48A H48B 109.5 . . ?
H48A C48A H48B 109.5 . . ?
C45A C48A H48C 109.5 . . ?
H48A C48A H48C 109.5 . . ?
H48B C48A H48C 109.5 . . ?
C25B N2B P2 119(3) . . ?
C25B N2B P1 128.3(13) . . ?
P2 N2B P1 102.9(12) . . ?
C26B C25B C30B 120.0 . . ?
C26B C25B N2B 118.9(8) . . ?
C30B C25B N2B 120.7(8) . . ?
C27B C26B C25B 120.0 . . ?
C27B C26B C31 113.6(9) . . ?
C25B C26B C31 125.4(9) . . ?
C28B C27B C26B 120.0 . . ?
C28B C27B H27B 120.0 . . ?
C26B C27B H27B 120.0 . . ?
C27B C28B C29B 120.0 . . ?
C27B C28B H28B 120.0 . . ?
C29B C28B H28B 120.0 . . ?
C30B C29B C28B 120.0 . . ?
C30B C29B H29B 120.0 . . ?
C28B C29B H29B 120.0 . . ?
C29B C30B C25B 120.0 . . ?
C29B C30B C40B 113.6(9) . . ?
C25B C30B C40B 124.2(9) . . ?
C41B C40B C45B 116.5(17) . . ?
C41B C40B C30B 120.4(15) . . ?
C45B C40B C30B 122.2(19) . . ?
C40B C41B C42B 123.4(18) . . ?
C40B C41B C46B 123.5(14) . . ?
C42B C41B C46B 113.1(19) . . ?
C43B C42B C41B 119.4(19) . . ?
C43B C42B H42B 120.3 . . ?
C41B C42B H42B 120.3 . . ?
C42B C43B C44B 117.4(15) . . ?
C42B C43B C47B 121(2) . . ?
C44B C43B C47B 122(2) . . ?
C45B C44B C43B 121.8(19) . . ?
C45B C44B H44B 119.1 . . ?
C43B C44B H44B 119.1 . . ?
C44B C45B C40B 121(2) . . ?
C44B C45B C48B 120.1(17) . . ?
C40B C45B C48B 118.7(19) . . ?
C41B C46B H46D 109.5 . . ?
C41B C46B H46E 109.5 . . ?
H46D C46B H46E 109.5 . . ?
C41B C46B H46F 109.5 . . ?
H46D C46B H46F 109.5 . . ?
H46E C46B H46F 109.5 . . ?
C43B C47B H47D 109.5 . . ?
C43B C47B H47E 109.5 . . ?
H47D C47B H47E 109.5 . . ?
C43B C47B H47F 109.5 . . ?
H47D C47B H47F 109.5 . . ?
H47E C47B H47F 109.5 . . ?
C45B C48B H48D 109.5 . . ?
C45B C48B H48E 109.5 . . ?
H48D C48B H48E 109.5 . . ?
C45B C48B H48F 109.5 . . ?
H48D C48B H48F 109.5 . . ?
H48E C48B H48F 109.5 . . ?
C32 C31 C36 118.8(8) . . ?
C32 C31 C26A 115.6(9) . . ?
C36 C31 C26A 124.5(10) . . ?
C32 C31 C26B 125.8(10) . . ?
C36 C31 C26B 115.0(10) . . ?
C33 C32 C31 119.8(9) . . ?
C33 C32 C37 120.1(10) . . ?
C31 C32 C37 120.1(8) . . ?
C34 C33 C32 120.2(10) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C35 C34 C33 119.8(9) . . ?
C35 C34 C38 122.7(11) . . ?
C33 C34 C38 117.5(11) . . ?
C34 C35 C36 122.2(10) . . ?
C34 C35 H35 118.9 . . ?
C36 C35 H35 118.9 . . ?
C35 C36 C31 119.2(9) . . ?
C35 C36 C39 118.2(9) . . ?
C31 C36 C39 122.6(8) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C50 C49 P3 116.4(6) . . ?
C50 C49 P2 118.6(6) . . ?
P3 C49 P2 125.0(5) . . ?
C52 C50 C53 109.2(8) . . ?
C52 C50 C51 109.1(8) . . ?
C53 C50 C51 108.3(9) . . ?
C52 C50 C49 110.6(7) . . ?
C53 C50 C49 107.8(7) . . ?
C51 C50 C49 111.7(7) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C114 C113 C118 120.0 . . ?
C114 C113 H113 120.0 . . ?
C118 C113 H113 120.0 . . ?
C113 C114 C115 120.0 . . ?
C113 C114 H114 120.0 . . ?
C115 C114 H114 120.0 . . ?
C116 C115 C114 120.0 . . ?
C116 C115 H115 120.0 . . ?
C114 C115 H115 120.0 . . ?
C117 C116 C115 120.0 . . ?
C117 C116 H116 120.0 . . ?
C115 C116 H116 120.0 . . ?
C116 C117 C118 120.0 . . ?
C116 C117 H117 120.0 . . ?
C118 C117 H117 120.0 . . ?
C117 C118 C113 120.0 . . ?
C117 C118 H118 120.0 . . ?
C113 C118 H118 120.0 . . ?
C108 C107 C112 120.0 . . ?
C108 C107 H107 120.0 . . ?
C112 C107 H107 120.0 . . ?
C107 C108 C109 120.0 . . ?
C107 C108 H108 120.0 . . ?
C109 C108 H108 120.0 . . ?
C108 C109 C110 120.0 . . ?
C108 C109 H109 120.0 . . ?
C110 C109 H109 120.0 . . ?
C111 C110 C109 120.0 . . ?
C111 C110 H110 120.0 . . ?
C109 C110 H110 120.0 . . ?
C110 C111 C112 120.0 . . ?
C110 C111 H111 120.0 . . ?
C112 C111 H111 120.0 . . ?
C111 C112 C107 120.0 . . ?
C111 C112 H112 120.0 . . ?
C107 C112 H112 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C49 P3 N1 C1 -161.9(6) . . . . ?
C49 P3 N1 P1 8.1(6) . . . . ?
N2B P1 N1 C1 -151.6(15) . . . . ?
N2A P1 N1 C1 -146.9(13) . . . . ?
Au1 P1 N1 C1 115.9(6) . . . . ?
P2 P1 N1 C1 170.9(7) . . . . ?
N2B P1 N1 P3 39.0(14) . . . . ?
N2A P1 N1 P3 43.7(12) . . . . ?
Au1 P1 N1 P3 -53.5(5) . . . . ?
P2 P1 N1 P3 1.5(5) . . . . ?
P3 N1 C1 C6 -56.4(11) . . . . ?
P1 N1 C1 C6 133.1(8) . . . . ?
P3 N1 C1 C2 120.8(8) . . . . ?
P1 N1 C1 C2 -49.7(11) . . . . ?
C6 C1 C2 C3 -0.2(15) . . . . ?
N1 C1 C2 C3 -177.5(9) . . . . ?
C6 C1 C2 C7 -177.4(9) . . . . ?
N1 C1 C2 C7 5.3(14) . . . . ?
C1 C2 C3 C4 1.0(17) . . . . ?
C7 C2 C3 C4 178.3(11) . . . . ?
C2 C3 C4 C5 -1(2) . . . . ?
C3 C4 C5 C6 1(2) . . . . ?
C2 C1 C6 C5 -0.1(15) . . . . ?
N1 C1 C6 C5 177.2(9) . . . . ?
C2 C1 C6 C16 175.4(9) . . . . ?
N1 C1 C6 C16 -7.4(15) . . . . ?
C4 C5 C6 C1 -0.4(17) . . . . ?
C4 C5 C6 C16 -176.3(11) . . . . ?
C3 C2 C7 C8 106.1(11) . . . . ?
C1 C2 C7 C8 -76.7(12) . . . . ?
C3 C2 C7 C12 -74.5(12) . . . . ?
C1 C2 C7 C12 102.7(11) . . . . ?
C12 C7 C8 C9 -3.5(12) . . . . ?
C2 C7 C8 C9 175.9(8) . . . . ?
C12 C7 C8 C13 175.1(7) . . . . ?
C2 C7 C8 C13 -5.5(12) . . . . ?
C7 C8 C9 C10 1.5(13) . . . . ?
C13 C8 C9 C10 -177.1(8) . . . . ?
C8 C9 C10 C11 0.5(13) . . . . ?
C8 C9 C10 C14 178.6(9) . . . . ?
C9 C10 C11 C12 -0.3(14) . . . . ?
C14 C10 C11 C12 -178.4(9) . . . . ?
C10 C11 C12 C7 -1.6(14) . . . . ?
C10 C11 C12 C15 -179.2(9) . . . . ?
C8 C7 C12 C11 3.6(12) . . . . ?
C2 C7 C12 C11 -175.8(8) . . . . ?
C8 C7 C12 C15 -178.8(8) . . . . ?
C2 C7 C12 C15 1.8(12) . . . . ?
C1 C6 C16 C21 111.1(12) . . . . ?
C5 C6 C16 C21 -73.2(12) . . . . ?
C1 C6 C16 C17 -72.9(14) . . . . ?
C5 C6 C16 C17 102.8(11) . . . . ?
C21 C16 C17 C18 1.5(14) . . . . ?
C6 C16 C17 C18 -174.5(9) . . . . ?
C21 C16 C17 C22 -179.5(9) . . . . ?
C6 C16 C17 C22 4.4(14) . . . . ?
C16 C17 C18 C19 -3.0(16) . . . . ?
C22 C17 C18 C19 178.1(11) . . . . ?
C17 C18 C19 C20 2.6(18) . . . . ?
C17 C18 C19 C23 -178.2(12) . . . . ?
C18 C19 C20 C21 -0.9(19) . . . . ?
C23 C19 C20 C21 -180.0(12) . . . . ?
C19 C20 C21 C16 -0.5(17) . . . . ?
C19 C20 C21 C24 178.7(11) . . . . ?
C17 C16 C21 C20 0.1(15) . . . . ?
C6 C16 C21 C20 176.2(9) . . . . ?
C17 C16 C21 C24 -179.0(10) . . . . ?
C6 C16 C21 C24 -2.9(15) . . . . ?
N2B P1 N2A C25A -121(19) . . . . ?
N1 P1 N2A C25A 127(3) . . . . ?
Au1 P1 N2A C25A -125(3) . . . . ?
P2 P1 N2A C25A -148(5) . . . . ?
N2B P1 N2A P2 27(15) . . . . ?
N1 P1 N2A P2 -85.2(14) . . . . ?
Au1 P1 N2A P2 22.7(13) . . . . ?
N2B P2 N2A C25A 101(37) . . . . ?
C49 P2 N2A C25A -134(2) . . . . ?
Au1 P2 N2A C25A 128(2) . . . . ?
P1 P2 N2A C25A 151(3) . . . . ?
N2B P2 N2A P1 -50(34) . . . . ?
C49 P2 N2A P1 75.6(14) . . . . ?
Au1 P2 N2A P1 -22.6(13) . . . . ?
P1 N2A C25A C26A -165(2) . . . . ?
P2 N2A C25A C26A 55(3) . . . . ?
P1 N2A C25A C30A 8(4) . . . . ?
P2 N2A C25A C30A -132.6(14) . . . . ?
C30A C25A C26A C27A 0.0 . . . . ?
N2A C25A C26A C27A 172.5(19) . . . . ?
C30A C25A C26A C31 166.7(13) . . . . ?
N2A C25A C26A C31 -21(2) . . . . ?
C25A C26A C27A C28A 0.0 . . . . ?
C31 C26A C27A C28A -167.9(12) . . . . ?
C26A C27A C28A C29A 0.0 . . . . ?
C27A C28A C29A C30A 0.0 . . . . ?
C28A C29A C30A C25A 0.0 . . . . ?
C28A C29A C30A C40A 166.3(12) . . . . ?
C26A C25A C30A C29A 0.0 . . . . ?
N2A C25A C30A C29A -172(2) . . . . ?
C26A C25A C30A C40A -165.0(13) . . . . ?
N2A C25A C30A C40A 23(2) . . . . ?
C29A C30A C40A C41A -106.8(18) . . . . ?
C25A C30A C40A C41A 59(2) . . . . ?
C29A C30A C40A C45A 66(2) . . . . ?
C25A C30A C40A C45A -128.1(18) . . . . ?
C45A C40A C41A C42A 2(3) . . . . ?
C30A C40A C41A C42A 175.8(16) . . . . ?
C45A C40A C41A C46A -174(2) . . . . ?
C30A C40A C41A C46A -1(3) . . . . ?
C40A C41A C42A C43A -1(3) . . . . ?
C46A C41A C42A C43A 176(2) . . . . ?
C41A C42A C43A C44A -2(3) . . . . ?
C41A C42A C43A C47A -177(2) . . . . ?
C42A C43A C44A C45A 4(3) . . . . ?
C47A C43A C44A C45A 179(2) . . . . ?
C43A C44A C45A C40A -3(4) . . . . ?
C43A C44A C45A C48A 178(2) . . . . ?
C41A C40A C45A C44A 0(3) . . . . ?
C30A C40A C45A C44A -173.7(17) . . . . ?
C41A C40A C45A C48A 179(2) . . . . ?
C30A C40A C45A C48A 6(3) . . . . ?
C49 P2 N2B C25B -139(2) . . . . ?
N2A P2 N2B C25B -85(34) . . . . ?
Au1 P2 N2B C25B 123(2) . . . . ?
P1 P2 N2B C25B 148(4) . . . . ?
C49 P2 N2B P1 72.3(19) . . . . ?
N2A P2 N2B P1 127(37) . . . . ?
Au1 P2 N2B P1 -25.4(18) . . . . ?
N1 P1 N2B C25B 134(4) . . . . ?
N2A P1 N2B C25B 66(13) . . . . ?
Au1 P1 N2B C25B -119(4) . . . . ?
P2 P1 N2B C25B -144(6) . . . . ?
N1 P1 N2B P2 -82(2) . . . . ?
N2A P1 N2B P2 -150(18) . . . . ?
Au1 P1 N2B P2 25.6(18) . . . . ?
P2 N2B C25B C26B 62(3) . . . . ?
P1 N2B C25B C26B -159(3) . . . . ?
P2 N2B C25B C30B -125.7(16) . . . . ?
P1 N2B C25B C30B 14(5) . . . . ?
C30B C25B C26B C27B 0.0 . . . . ?
N2B C25B C26B C27B 172(2) . . . . ?
C30B C25B C26B C31 168.1(16) . . . . ?
N2B C25B C26B C31 -19(3) . . . . ?
C25B C26B C27B C28B 0.0 . . . . ?
C31 C26B C27B C28B -169.4(14) . . . . ?
C26B C27B C28B C29B 0.0 . . . . ?
C27B C28B C29B C30B 0.0 . . . . ?
C28B C29B C30B C25B 0.0 . . . . ?
C28B C29B C30B C40B 164.0(13) . . . . ?
C26B C25B C30B C29B 0.0 . . . . ?
N2B C25B C30B C29B -172(2) . . . . ?
C26B C25B C30B C40B -162.2(14) . . . . ?
N2B C25B C30B C40B 25(3) . . . . ?
C29B C30B C40B C41B -97(2) . . . . ?
C25B C30B C40B C41B 66(2) . . . . ?
C29B C30B C40B C45B 71(2) . . . . ?
C25B C30B C40B C45B -125.3(18) . . . . ?
C45B C40B C41B C42B 5(4) . . . . ?
C30B C40B C41B C42B 174.2(18) . . . . ?
C45B C40B C41B C46B -174(2) . . . . ?
C30B C40B C41B C46B -4(4) . . . . ?
C40B C41B C42B C43B -5(4) . . . . ?
C46B C41B C42B C43B 174(2) . . . . ?
C41B C42B C43B C44B 0(3) . . . . ?
C41B C42B C43B C47B -175(2) . . . . ?
C42B C43B C44B C45B 5(4) . . . . ?
C47B C43B C44B C45B 180(2) . . . . ?
C43B C44B C45B C40B -6(4) . . . . ?
C43B C44B C45B C48B 177(3) . . . . ?
C41B C40B C45B C44B 0(3) . . . . ?
C30B C40B C45B C44B -169(2) . . . . ?
C41B C40B C45B C48B 178(2) . . . . ?
C30B C40B C45B C48B 9(3) . . . . ?
C27A C26A C31 C32 -92.8(10) . . . . ?
C25A C26A C31 C32 99.9(9) . . . . ?
C27A C26A C31 C36 74.8(11) . . . . ?
C25A C26A C31 C36 -92.6(11) . . . . ?
C27A C26A C31 C26B 105(6) . . . . ?
C25A C26A C31 C26B -62(5) . . . . ?
C27B C26B C31 C32 -98.8(11) . . . . ?
C25B C26B C31 C32 92.5(12) . . . . ?
C27B C26B C31 C36 73.9(11) . . . . ?
C25B C26B C31 C36 -94.9(11) . . . . ?
C27B C26B C31 C26A -79(6) . . . . ?
C25B C26B C31 C26A 113(6) . . . . ?
C36 C31 C32 C33 -0.6(12) . . . . ?
C26A C31 C32 C33 167.7(9) . . . . ?
C26B C31 C32 C33 171.8(10) . . . . ?
C36 C31 C32 C37 -178.9(8) . . . . ?
C26A C31 C32 C37 -10.6(12) . . . . ?
C26B C31 C32 C37 -6.4(14) . . . . ?
C31 C32 C33 C34 -0.9(14) . . . . ?
C37 C32 C33 C34 177.4(9) . . . . ?
C32 C33 C34 C35 1.7(14) . . . . ?
C32 C33 C34 C38 -177.1(9) . . . . ?
C33 C34 C35 C36 -1.0(14) . . . . ?
C38 C34 C35 C36 177.6(9) . . . . ?
C34 C35 C36 C31 -0.4(13) . . . . ?
C34 C35 C36 C39 178.9(9) . . . . ?
C32 C31 C36 C35 1.2(12) . . . . ?
C26A C31 C36 C35 -166.0(9) . . . . ?
C26B C31 C36 C35 -172.0(9) . . . . ?
C32 C31 C36 C39 -178.1(8) . . . . ?
C26A C31 C36 C39 14.7(13) . . . . ?
C26B C31 C36 C39 8.7(12) . . . . ?
N1 P3 C49 C50 158.6(6) . . . . ?
N1 P3 C49 P2 -19.8(6) . . . . ?
N2B P2 C49 C50 162.7(10) . . . . ?
N2A P2 C49 C50 160.2(8) . . . . ?
Au1 P2 C49 C50 -105.2(6) . . . . ?
P1 P2 C49 C50 -160.4(6) . . . . ?
N2B P2 C49 P3 -18.9(10) . . . . ?
N2A P2 C49 P3 -21.5(8) . . . . ?
Au1 P2 C49 P3 73.2(5) . . . . ?
P1 P2 C49 P3 18.0(5) . . . . ?
P3 C49 C50 C52 48.0(9) . . . . ?
P2 C49 C50 C52 -133.5(7) . . . . ?
P3 C49 C50 C53 -71.3(9) . . . . ?
P2 C49 C50 C53 107.2(8) . . . . ?
P3 C49 C50 C51 169.8(7) . . . . ?
P2 C49 C50 C51 -11.7(10) . . . . ?
C118 C113 C114 C115 0.0 . . . . ?
C113 C114 C115 C116 0.0 . . . . ?
C114 C115 C116 C117 0.0 . . . . ?
C115 C116 C117 C118 0.0 . . . . ?
C116 C117 C118 C113 0.0 . . . . ?
C114 C113 C118 C117 0.0 . . . . ?
C112 C107 C108 C109 0.0 . . . . ?
C107 C108 C109 C110 0.0 . . . . ?
C108 C109 C110 C111 0.0 . . . . ?
C109 C110 C111 C112 0.0 . . . . ?
C110 C111 C112 C107 0.0 . . . . ?
C108 C107 C112 C111 0.0 . . . . ?

_refine_diff_density_max         1.279
_refine_diff_density_min         -1.852
_refine_diff_density_rms         0.135

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/. 
# 
# Audit and citation data items have may been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AH169C
_database_code_depnum_ccdc_archive 'CCDC 1031070'
_audit_update_record             
;
2014-10-26 deposited with the CCDC.
2014-11-26 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2013

#==============================================================================

# CHEMICAL DATA

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C53 H59 Au Cl N2 P3, 2.5 (C6 H6)'
_chemical_formula_sum            'C68 H74 Au Cl N2 P3'
_chemical_formula_weight         1244.61

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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

#==============================================================================

# CRYSTAL DATA

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   11.4133(11)
_cell_length_b                   11.8735(13)
_cell_length_c                   24.862(3)
_cell_angle_alpha                97.632(3)
_cell_angle_beta                 90.569(3)
_cell_angle_gamma                114.933(3)
_cell_volume                     3020.0(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9878
_cell_measurement_theta_min      2.56
_cell_measurement_theta_max      24.09

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_F_000             1274
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    2.601
_shelx_estimated_absorpt_T_min   0.729
_shelx_estimated_absorpt_T_max   0.860
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6377
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'

#==============================================================================

# EXPERIMENTAL DATA

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            88244
_diffrn_reflns_av_unetI/netI     0.0670
_diffrn_reflns_av_R_equivalents  0.0650
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         0.829
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             17595
_reflns_number_gt                13734
_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       'Bruker Apex V7.51A'
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-2013

#==============================================================================

# REFINEMENT DATA 

_refine_special_details          
;
 All H atoms were positioned geometrically and refined using a riding model, 
 with C---H = 0.98 (methyl groups), 0.99Å (methylene groups), 
 1.00Å (methine groups) or 0.95 Å (aryl CH) and with Uiso(H) = 
 1.5 times Ueq(C) (methyl groups) or with Uiso(H) = 1.2 times 
 Ueq(C) (methylene  groups, aryl CH, methine groups). Torsion angles 
 of all methyl groups were allowed to refine.  
 
 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 > 2σ(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     
'w=1/[σ²(Fo²)+(0.0346P)²+0.5790P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17595
_refine_ls_number_parameters     686
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0394
_refine_ls_wR_factor_ref         0.0806
_refine_ls_wR_factor_gt          0.0734
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

#==============================================================================

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

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 0.00502(2) 0.47908(2) 0.25628(2) 0.02423(4) Uani 1 1 d . . . . .
Cl1 Cl -0.21415(8) 0.34300(8) 0.26326(4) 0.0443(2) Uani 1 1 d . . . . .
P1 P 0.21254(7) 0.61971(7) 0.23674(3) 0.02180(15) Uani 1 1 d . . . . .
P2 P 0.04922(7) 0.68894(7) 0.29203(3) 0.02059(15) Uani 1 1 d . . . . .
P3 P 0.28443(7) 0.70188(7) 0.35881(3) 0.02386(16) Uani 1 1 d . . . . .
N1 N 0.3114(2) 0.6492(2) 0.29541(10) 0.0220(5) Uani 1 1 d . . . . .
N2 N 0.1739(2) 0.7456(2) 0.25026(9) 0.0210(5) Uani 1 1 d . . . . .
C1 C 0.4190(3) 0.6128(3) 0.29422(12) 0.0250(6) Uani 1 1 d . . . . .
C2 C 0.5421(3) 0.6981(3) 0.31710(14) 0.0315(7) Uani 1 1 d . . . . .
C3 C 0.6397(3) 0.6563(3) 0.31770(17) 0.0452(9) Uani 1 1 d . . . . .
H3 H 0.7240 0.7136 0.3328 0.054 Uiso 1 1 calc R U . . .
C4 C 0.6179(4) 0.5362(4) 0.29732(19) 0.0538(11) Uani 1 1 d . . . . .
H4 H 0.6857 0.5099 0.2989 0.065 Uiso 1 1 calc R U . . .
C5 C 0.4959(3) 0.4529(3) 0.27436(16) 0.0439(9) Uani 1 1 d . . . . .
H5 H 0.4805 0.3694 0.2597 0.053 Uiso 1 1 calc R U . . .
C6 C 0.3961(3) 0.4899(3) 0.27254(14) 0.0302(7) Uani 1 1 d . . . . .
C7 C 0.5828(3) 0.8333(3) 0.33886(13) 0.0274(7) Uani 1 1 d . . . . .
C8 C 0.6070(3) 0.9206(3) 0.30284(13) 0.0286(7) Uani 1 1 d . . . . .
C9 C 0.6641(3) 1.0485(3) 0.32303(15) 0.0342(7) Uani 1 1 d . . . . .
H9 H 0.6835 1.1076 0.2984 0.041 Uiso 1 1 calc R U . . .
C10 C 0.6930(3) 1.0911(3) 0.37775(15) 0.0371(8) Uani 1 1 d . . . . .
C11 C 0.6665(3) 1.0032(3) 0.41296(15) 0.0375(8) Uani 1 1 d . . . . .
H11 H 0.6851 1.0316 0.4510 0.045 Uiso 1 1 calc R U . . .
C12 C 0.6139(3) 0.8759(3) 0.39442(14) 0.0337(7) Uani 1 1 d . . . . .
C13 C 0.5731(3) 0.8786(3) 0.24255(14) 0.0404(8) Uani 1 1 d . . . . .
H13A H 0.6188 0.9497 0.2231 0.061 Uiso 1 1 calc R U . . .
H13B H 0.4795 0.8478 0.2350 0.061 Uiso 1 1 calc R U . . .
H13C H 0.5991 0.8111 0.2304 0.061 Uiso 1 1 calc R U . . .
C14 C 0.7515(4) 1.2297(4) 0.39870(19) 0.0616(12) Uani 1 1 d . . . . .
H14A H 0.8444 1.2595 0.4080 0.092 Uiso 1 1 calc R U . . .
H14B H 0.7094 1.2452 0.4312 0.092 Uiso 1 1 calc R U . . .
H14C H 0.7388 1.2748 0.3706 0.092 Uiso 1 1 calc R U . . .
C15 C 0.5931(4) 0.7875(4) 0.43512(15) 0.0489(10) Uani 1 1 d . . . . .
H15A H 0.5113 0.7127 0.4250 0.073 Uiso 1 1 calc R U . . .
H15B H 0.5897 0.8295 0.4714 0.073 Uiso 1 1 calc R U . . .
H15C H 0.6648 0.7626 0.4355 0.073 Uiso 1 1 calc R U . . .
C16 C 0.2673(3) 0.3985(3) 0.24532(13) 0.0281(7) Uani 1 1 d . . . . .
C17 C 0.1630(3) 0.3383(3) 0.27564(13) 0.0282(7) Uani 1 1 d . . . . .
C18 C 0.0418(3) 0.2624(3) 0.24856(14) 0.0328(7) Uani 1 1 d . . . . .
H18 H -0.0302 0.2237 0.2692 0.039 Uiso 1 1 calc R U . . .
C19 C 0.0239(3) 0.2420(3) 0.19163(15) 0.0389(8) Uani 1 1 d . . . . .
C20 C 0.1311(4) 0.2968(3) 0.16284(14) 0.0382(8) Uani 1 1 d . . . . .
H20 H 0.1215 0.2808 0.1242 0.046 Uiso 1 1 calc R U . . .
C21 C 0.2519(3) 0.3741(3) 0.18842(14) 0.0331(7) Uani 1 1 d . . . . .
C22 C 0.1784(3) 0.3530(3) 0.33651(14) 0.0367(8) Uani 1 1 d . . . . .
H22A H 0.2221 0.3028 0.3470 0.055 Uiso 1 1 calc R U . . .
H22B H 0.0928 0.3241 0.3511 0.055 Uiso 1 1 calc R U . . .
H22C H 0.2303 0.4416 0.3512 0.055 Uiso 1 1 calc R U . . .
C23 C -0.1023(4) 0.1620(3) 0.16246(16) 0.0517(10) Uani 1 1 d . . . . .
H23A H -0.1085 0.1929 0.1284 0.078 Uiso 1 1 calc R U . . .
H23B H -0.1713 0.1642 0.1851 0.078 Uiso 1 1 calc R U . . .
H23C H -0.1115 0.0755 0.1544 0.078 Uiso 1 1 calc R U . . .
C24 C 0.3645(4) 0.4328(4) 0.15385(16) 0.0471(9) Uani 1 1 d . . . . .
H24A H 0.3338 0.4082 0.1153 0.071 Uiso 1 1 calc R U . . .
H24B H 0.4310 0.4038 0.1609 0.071 Uiso 1 1 calc R U . . .
H24C H 0.4014 0.5246 0.1630 0.071 Uiso 1 1 calc R U . . .
C25 C 0.1845(3) 0.8354(3) 0.21557(12) 0.0214(6) Uani 1 1 d . . . . .
C26 C 0.1890(3) 0.8079(3) 0.15888(13) 0.0282(7) Uani 1 1 d . . . . .
C27 C 0.2120(4) 0.9033(3) 0.12749(14) 0.0415(9) Uani 1 1 d . . . . .
H27 H 0.2181 0.8865 0.0894 0.050 Uiso 1 1 calc R U . . .
C28 C 0.2262(4) 1.0208(3) 0.15022(14) 0.0433(9) Uani 1 1 d . . . . .
H28 H 0.2476 1.0859 0.1285 0.052 Uiso 1 1 calc R U . . .
C29 C 0.2091(3) 1.0433(3) 0.20460(13) 0.0333(7) Uani 1 1 d . . . . .
H29 H 0.2128 1.1226 0.2197 0.040 Uiso 1 1 calc R U . . .
C30 C 0.1864(3) 0.9516(3) 0.23805(12) 0.0224(6) Uani 1 1 d . . . . .
C31 C 0.1515(3) 0.6793(3) 0.12834(12) 0.0290(7) Uani 1 1 d . . . . .
C32 C 0.0209(3) 0.5921(3) 0.12332(12) 0.0317(7) Uani 1 1 d . . . . .
C33 C -0.0152(4) 0.4780(3) 0.08918(14) 0.0391(8) Uani 1 1 d . . . . .
H33 H -0.1031 0.4179 0.0867 0.047 Uiso 1 1 calc R U . . .
C34 C 0.0714(4) 0.4487(3) 0.05881(14) 0.0414(9) Uani 1 1 d . . . . .
C35 C 0.2001(4) 0.5360(3) 0.06476(13) 0.0403(9) Uani 1 1 d . . . . .
H35 H 0.2613 0.5172 0.0444 0.048 Uiso 1 1 calc R U . . .
C36 C 0.2428(3) 0.6496(3) 0.09930(13) 0.0352(8) Uani 1 1 d . . . . .
C37 C -0.0820(3) 0.6214(4) 0.15006(15) 0.0402(8) Uani 1 1 d . . . . .
H37A H -0.1636 0.5778 0.1273 0.060 Uiso 1 1 calc R U . . .
H37B H -0.0559 0.7122 0.1546 0.060 Uiso 1 1 calc R U . . .
H37C H -0.0940 0.5933 0.1858 0.060 Uiso 1 1 calc R U . . .
C38 C 0.0266(4) 0.3282(4) 0.01974(16) 0.0558(11) Uani 1 1 d . . . . .
H38A H 0.0019 0.3414 -0.0160 0.084 Uiso 1 1 calc R U . . .
H38B H -0.0483 0.2632 0.0333 0.084 Uiso 1 1 calc R U . . .
H38C H 0.0969 0.3015 0.0163 0.084 Uiso 1 1 calc R U . . .
C39 C 0.3833(4) 0.7372(4) 0.10561(16) 0.0487(10) Uani 1 1 d . . . . .
H39A H 0.4317 0.6994 0.0834 0.073 Uiso 1 1 calc R U . . .
H39B H 0.4149 0.7531 0.1439 0.073 Uiso 1 1 calc R U . . .
H39C H 0.3957 0.8166 0.0937 0.073 Uiso 1 1 calc R U . . .
C40 C 0.1542(3) 0.9822(3) 0.29475(12) 0.0236(6) Uani 1 1 d . . . . .
C41 C 0.0284(3) 0.9735(3) 0.30223(13) 0.0270(7) Uani 1 1 d . . . . .
C42 C 0.0017(3) 1.0184(3) 0.35275(14) 0.0340(8) Uani 1 1 d . . . . .
H42 H -0.0828 1.0129 0.3578 0.041 Uiso 1 1 calc R U . . .
C43 C 0.0936(4) 1.0703(3) 0.39574(14) 0.0376(8) Uani 1 1 d . . . . .
C44 C 0.2162(4) 1.0770(3) 0.38783(14) 0.0373(8) Uani 1 1 d . . . . .
H44 H 0.2805 1.1122 0.4174 0.045 Uiso 1 1 calc R U . . .
C45 C 0.2475(3) 1.0339(3) 0.33808(13) 0.0291(7) Uani 1 1 d . . . . .
C46 C -0.0763(3) 0.9183(3) 0.25665(14) 0.0369(8) Uani 1 1 d . . . . .
H46A H -0.0470 0.9641 0.2257 0.055 Uiso 1 1 calc R U . . .
H46B H -0.1546 0.9251 0.2691 0.055 Uiso 1 1 calc R U . . .
H46C H -0.0956 0.8296 0.2454 0.055 Uiso 1 1 calc R U . . .
C47 C 0.0626(5) 1.1227(4) 0.44940(16) 0.0620(12) Uani 1 1 d . . . . .
H47A H 0.0611 1.2036 0.4465 0.093 Uiso 1 1 calc R U . . .
H47B H 0.1289 1.1346 0.4777 0.093 Uiso 1 1 calc R U . . .
H47C H -0.0224 1.0640 0.4589 0.093 Uiso 1 1 calc R U . . .
C48 C 0.3828(3) 1.0459(4) 0.33120(16) 0.0445(9) Uani 1 1 d . . . . .
H48A H 0.3793 0.9641 0.3157 0.067 Uiso 1 1 calc R U . . .
H48B H 0.4321 1.0742 0.3667 0.067 Uiso 1 1 calc R U . . .
H48C H 0.4252 1.1071 0.3067 0.067 Uiso 1 1 calc R U . . .
C49 C 0.1339(3) 0.6954(2) 0.35389(11) 0.0209(6) Uani 1 1 d . . . . .
C50 C 0.0646(3) 0.6900(3) 0.40717(12) 0.0264(6) Uani 1 1 d . . . . .
C51 C 0.0209(4) 0.5584(4) 0.42221(17) 0.0583(12) Uani 1 1 d . . . . .
H51A H -0.0410 0.4966 0.3935 0.087 Uiso 1 1 calc R U . . .
H51B H -0.0206 0.5541 0.4567 0.087 Uiso 1 1 calc R U . . .
H51C H 0.0963 0.5399 0.4261 0.087 Uiso 1 1 calc R U . . .
C52 C 0.1565(4) 0.7868(4) 0.45297(15) 0.0533(11) Uani 1 1 d . . . . .
H52A H 0.2322 0.7696 0.4585 0.080 Uiso 1 1 calc R U . . .
H52B H 0.1116 0.7819 0.4866 0.080 Uiso 1 1 calc R U . . .
H52C H 0.1848 0.8712 0.4432 0.080 Uiso 1 1 calc R U . . .
C53 C -0.0532(3) 0.7167(4) 0.40105(14) 0.0427(9) Uani 1 1 d . . . . .
H53A H -0.0267 0.7999 0.3902 0.064 Uiso 1 1 calc R U . . .
H53B H -0.0932 0.7146 0.4358 0.064 Uiso 1 1 calc R U . . .
H53C H -0.1159 0.6528 0.3732 0.064 Uiso 1 1 calc R U . . .
C54A C 0.5636(9) 1.1112(8) 0.1289(3) 0.061(2) Uani 0.65(3) 1 d G . P A 1
H54A H 0.5367 1.0615 0.1573 0.074 Uiso 0.65(3) 1 calc R U P A 1
C55A C 0.5705(9) 1.2320(8) 0.1360(3) 0.059(2) Uani 0.65(3) 1 d G . P A 1
H55A H 0.5482 1.2648 0.1693 0.071 Uiso 0.65(3) 1 calc R U P A 1
C56A C 0.6099(8) 1.3047(5) 0.0945(4) 0.055(2) Uani 0.65(3) 1 d G . P A 1
H56A H 0.6146 1.3872 0.0994 0.066 Uiso 0.65(3) 1 calc R U P A 1
C57A C 0.6425(7) 1.2566(9) 0.0459(3) 0.061(2) Uani 0.65(3) 1 d G . P A 1
H57A H 0.6695 1.3064 0.0175 0.074 Uiso 0.65(3) 1 calc R U P A 1
C58A C 0.6357(7) 1.1359(9) 0.0387(2) 0.059(2) Uani 0.65(3) 1 d G . P A 1
H58A H 0.6580 1.1030 0.0055 0.071 Uiso 0.65(3) 1 calc R U P A 1
C59A C 0.5963(8) 1.0631(4) 0.0803(4) 0.055(2) Uani 0.65(3) 1 d G . P A 1
H59A H 0.5916 0.9806 0.0754 0.066 Uiso 0.65(3) 1 calc R U P A 1
C54B C 0.5750(17) 1.1936(16) 0.1435(4) 0.079(5) Uani 0.35(3) 1 d G . P A 2
H54B H 0.5530 1.1944 0.1802 0.095 Uiso 0.35(3) 1 calc R U P A 2
C55B C 0.6110(14) 1.3017(10) 0.1196(7) 0.056(4) Uani 0.35(3) 1 d G . P A 2
H55B H 0.6136 1.3764 0.1400 0.067 Uiso 0.35(3) 1 calc R U P A 2
C56B C 0.6431(15) 1.3005(13) 0.0658(7) 0.071(5) Uani 0.35(3) 1 d G . P A 2
H56B H 0.6678 1.3744 0.0495 0.085 Uiso 0.35(3) 1 calc R U P A 2
C57B C 0.6393(15) 1.191(2) 0.0359(3) 0.079(5) Uani 0.35(3) 1 d G . P A 2
H57B H 0.6613 1.1904 -0.0008 0.095 Uiso 0.35(3) 1 calc R U P A 2
C58B C 0.6033(16) 1.0831(13) 0.0598(6) 0.056(4) Uani 0.35(3) 1 d G . P A 2
H58B H 0.6006 1.0085 0.0394 0.067 Uiso 0.35(3) 1 calc R U P A 2
C59B C 0.5711(19) 1.0843(10) 0.1136(6) 0.071(5) Uani 0.35(3) 1 d G . P A 2
H59B H 0.5465 1.0104 0.1299 0.085 Uiso 0.35(3) 1 calc R U P A 2
C60 C 0.4517(16) 1.437(3) 0.4505(12) 0.084(4) Uani 0.5 1 d G . P . .
H60 H 0.4319 1.3959 0.4140 0.101 Uiso 0.5 1 calc R U P . .
C61 C 0.3568(15) 1.457(3) 0.4796(13) 0.083(4) Uani 0.5 1 d G . P . .
H61 H 0.2720 1.4285 0.4629 0.099 Uiso 0.5 1 calc R U P . .
C62 C 0.3859(17) 1.517(3) 0.5331(13) 0.082(3) Uani 0.5 1 d G . P . .
H62 H 0.3210 1.5305 0.5530 0.099 Uiso 0.5 1 calc R U P . .
C63 C 0.5099(17) 1.559(3) 0.5575(12) 0.084(4) Uani 0.5 1 d G . P . .
H63 H 0.5298 1.6001 0.5940 0.101 Uiso 0.5 1 calc R U P . .
C64 C 0.6049(16) 1.539(3) 0.5284(12) 0.083(4) Uani 0.5 1 d G . P . .
H64 H 0.6897 1.5675 0.5451 0.099 Uiso 0.5 1 calc R U P . .
C65 C 0.5758(16) 1.479(3) 0.4749(12) 0.082(3) Uani 0.5 1 d G . P . .
H65 H 0.6407 1.4654 0.4550 0.099 Uiso 0.5 1 calc R U P . .
C66A C -0.2437(11) 0.7940(10) 0.0713(4) 0.068(3) Uani 0.339(3) 1 d G . P B 1
H66A H -0.2793 0.7431 0.0987 0.081 Uiso 0.339(3) 1 calc R U P B 1
C67A C -0.3205(9) 0.7813(10) 0.0251(5) 0.064(3) Uani 0.339(3) 1 d G . P B 1
H67A H -0.4087 0.7216 0.0210 0.077 Uiso 0.339(3) 1 calc R U P B 1
C68A C -0.2684(11) 0.8558(12) -0.0150(4) 0.062(3) Uani 0.339(3) 1 d G . P B 1
H68A H -0.3210 0.8471 -0.0465 0.074 Uiso 0.339(3) 1 calc R U P B 1
C69A C -0.1394(11) 0.9431(11) -0.0089(4) 0.068(3) Uani 0.339(3) 1 d G . P B 1
H69A H -0.1038 0.9940 -0.0363 0.081 Uiso 0.339(3) 1 calc R U P B 1
C70A C -0.0625(9) 0.9558(10) 0.0373(4) 0.064(3) Uani 0.339(3) 1 d G . P B 1
H70A H 0.0256 1.0155 0.0415 0.077 Uiso 0.339(3) 1 calc R U P B 1
C71A C -0.1147(10) 0.8813(11) 0.0774(4) 0.062(3) Uani 0.339(3) 1 d G . P B 1
H71A H -0.0621 0.8900 0.1089 0.074 Uiso 0.339(3) 1 calc R U P B 1
C66B C -0.2515(9) 0.8490(7) 0.0440(5) 0.074(3) Uani 0.366(3) 1 d G . P C 2
H66B H -0.1987 0.9348 0.0416 0.088 Uiso 0.366(3) 1 calc R U P C 2
C67B C -0.3265(10) 0.7685(11) -0.0015(3) 0.072(3) Uani 0.366(3) 1 d G . P C 2
H67B H -0.3249 0.7992 -0.0350 0.086 Uiso 0.366(3) 1 calc R U P C 2
C68B C -0.4038(8) 0.6431(10) 0.0019(3) 0.076(3) Uani 0.366(3) 1 d G . P C 2
H68B H -0.4551 0.5880 -0.0292 0.091 Uiso 0.366(3) 1 calc R U P C 2
C69B C -0.4062(8) 0.5982(7) 0.0510(4) 0.074(3) Uani 0.366(3) 1 d G . P C 2
H69B H -0.4591 0.5124 0.0534 0.088 Uiso 0.366(3) 1 calc R U P C 2
C70B C -0.3313(9) 0.6787(10) 0.0965(3) 0.072(3) Uani 0.366(3) 1 d G . P C 2
H70B H -0.3329 0.6480 0.1300 0.086 Uiso 0.366(3) 1 calc R U P C 2
C71B C -0.2539(8) 0.8041(9) 0.0931(4) 0.076(3) Uani 0.366(3) 1 d G . P C 2
H71B H -0.2027 0.8592 0.1242 0.091 Uiso 0.366(3) 1 calc R U P C 2
C66C C -0.1862(13) 0.9298(12) 0.0026(4) 0.068(3) Uani 0.295(3) 1 d G . P D 3
H66C H -0.1524 0.9962 -0.0185 0.081 Uiso 0.295(3) 1 calc R U P D 3
C67C C -0.3010(14) 0.8249(14) -0.0154(4) 0.064(3) Uani 0.295(3) 1 d G . P D 3
H67C H -0.3455 0.8194 -0.0488 0.077 Uiso 0.295(3) 1 calc R U P D 3
C68C C -0.3505(13) 0.7278(11) 0.0155(5) 0.062(3) Uani 0.295(3) 1 d G . P D 3
H68C H -0.4289 0.6561 0.0032 0.074 Uiso 0.295(3) 1 calc R U P D 3
C69C C -0.2853(13) 0.7357(10) 0.0644(5) 0.068(3) Uani 0.295(3) 1 d G . P D 3
H69C H -0.3191 0.6694 0.0855 0.081 Uiso 0.295(3) 1 calc R U P D 3
C70C C -0.1705(13) 0.8407(11) 0.0824(4) 0.064(3) Uani 0.295(3) 1 d G . P D 3
H70C H -0.1260 0.8461 0.1158 0.077 Uiso 0.295(3) 1 calc R U P D 3
C71C C -0.1210(11) 0.9378(11) 0.0515(5) 0.062(3) Uani 0.295(3) 1 d G . P D 3
H71C H -0.0426 1.0095 0.0638 0.074 Uiso 0.295(3) 1 calc R U P D 3


#==============================================================================

# MOLECULAR GEOMETRY

_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 P1 2.3533(8) . ?
Au1 Cl1 2.3608(8) . ?
Au1 P2 2.3657(8) . ?
P1 N2 1.723(2) . ?
P1 N1 1.739(2) . ?
P1 P2 2.6614(10) . ?
P2 N2 1.722(2) . ?
P2 C49 1.784(3) . ?
P3 C49 1.689(3) . ?
P3 N1 1.697(2) . ?
N1 C1 1.463(3) . ?
N2 C25 1.425(3) . ?
C1 C2 1.398(4) . ?
C1 C6 1.398(4) . ?
C2 C3 1.398(4) . ?
C2 C7 1.490(4) . ?
C3 C4 1.364(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.384(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.385(4) . ?
C5 H5 0.9500 . ?
C6 C16 1.495(4) . ?
C7 C12 1.394(5) . ?
C7 C8 1.401(4) . ?
C8 C9 1.393(4) . ?
C8 C13 1.508(5) . ?
C9 C10 1.372(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.389(5) . ?
C10 C14 1.505(5) . ?
C11 C12 1.379(5) . ?
C11 H11 0.9500 . ?
C12 C15 1.503(5) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.392(4) . ?
C16 C21 1.400(5) . ?
C17 C18 1.396(4) . ?
C17 C22 1.500(4) . ?
C18 C19 1.402(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.379(5) . ?
C19 C23 1.465(5) . ?
C20 C21 1.382(5) . ?
C20 H20 0.9500 . ?
C21 C24 1.517(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C30 1.410(4) . ?
C25 C26 1.410(4) . ?
C26 C27 1.395(4) . ?
C26 C31 1.492(4) . ?
C27 C28 1.375(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.375(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.397(4) . ?
C29 H29 0.9500 . ?
C30 C40 1.497(4) . ?
C31 C32 1.404(5) . ?
C31 C36 1.410(4) . ?
C32 C33 1.394(5) . ?
C32 C37 1.497(4) . ?
C33 C34 1.380(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.387(5) . ?
C34 C38 1.502(5) . ?
C35 C36 1.388(5) . ?
C35 H35 0.9500 . ?
C36 C39 1.491(5) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C45 1.387(4) . ?
C40 C41 1.411(4) . ?
C41 C42 1.386(4) . ?
C41 C46 1.503(5) . ?
C42 C43 1.371(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.385(5) . ?
C43 C47 1.505(5) . ?
C44 C45 1.384(4) . ?
C44 H44 0.9500 . ?
C45 C48 1.503(4) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.545(4) . ?
C50 C53 1.517(4) . ?
C50 C52 1.527(5) . ?
C50 C51 1.527(5) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54A C55A 1.3900 . ?
C54A C59A 1.3900 . ?
C54A H54A 0.9500 . ?
C55A C56A 1.3900 . ?
C55A H55A 0.9500 . ?
C56A C57A 1.3900 . ?
C56A H56A 0.9500 . ?
C57A C58A 1.3900 . ?
C57A H57A 0.9500 . ?
C58A C59A 1.3900 . ?
C58A H58A 0.9500 . ?
C59A H59A 0.9500 . ?
C54B C55B 1.3900 . ?
C54B C59B 1.3900 . ?
C54B H54B 0.9500 . ?
C55B C56B 1.3900 . ?
C55B H55B 0.9500 . ?
C56B C57B 1.3900 . ?
C56B H56B 0.9500 . ?
C57B C58B 1.3900 . ?
C57B H57B 0.9500 . ?
C58B C59B 1.3900 . ?
C58B H58B 0.9500 . ?
C59B H59B 0.9500 . ?
C60 C61 1.3900 . ?
C60 C65 1.3900 . ?
C60 H60 0.9500 . ?
C61 C62 1.3900 . ?
C61 H61 0.9500 . ?
C62 C63 1.3900 . ?
C62 H62 0.9500 . ?
C63 C64 1.3900 . ?
C63 H63 0.9500 . ?
C64 C65 1.3900 . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
C66A C67A 1.3900 . ?
C66A C71A 1.3900 . ?
C66A H66A 0.9500 . ?
C67A C68A 1.3900 . ?
C67A H67A 0.9500 . ?
C68A C69A 1.3900 . ?
C68A H68A 0.9500 . ?
C69A C70A 1.3900 . ?
C69A H69A 0.9500 . ?
C70A C71A 1.3900 . ?
C70A H70A 0.9500 . ?
C71A H71A 0.9500 . ?
C66B C67B 1.3900 . ?
C66B C71B 1.3900 . ?
C66B H66B 0.9500 . ?
C67B C68B 1.3900 . ?
C67B H67B 0.9500 . ?
C68B C69B 1.3900 . ?
C68B H68B 0.9500 . ?
C69B C70B 1.3900 . ?
C69B H69B 0.9500 . ?
C70B C71B 1.3900 . ?
C70B H70B 0.9500 . ?
C71B H71B 0.9500 . ?
C66C C67C 1.3900 . ?
C66C C71C 1.3900 . ?
C66C H66C 0.9500 . ?
C67C C68C 1.3900 . ?
C67C H67C 0.9500 . ?
C68C C69C 1.3900 . ?
C68C H68C 0.9500 . ?
C69C C70C 1.3900 . ?
C69C H69C 0.9500 . ?
C70C C71C 1.3900 . ?
C70C H70C 0.9500 . ?
C71C H71C 0.9500 . ?

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
P1 Au1 Cl1 171.30(3) . . ?
P1 Au1 P2 68.66(3) . . ?
Cl1 Au1 P2 111.07(3) . . ?
N2 P1 N1 98.30(11) . . ?
N2 P1 Au1 91.68(8) . . ?
N1 P1 Au1 105.23(8) . . ?
N2 P1 P2 39.40(8) . . ?
N1 P1 P2 91.71(8) . . ?
Au1 P1 P2 55.89(2) . . ?
N2 P2 C49 101.80(12) . . ?
N2 P2 Au1 91.28(8) . . ?
C49 P2 Au1 96.54(9) . . ?
N2 P2 P1 39.42(8) . . ?
C49 P2 P1 89.20(9) . . ?
Au1 P2 P1 55.45(2) . . ?
C49 P3 N1 105.88(13) . . ?
C1 N1 P3 113.79(19) . . ?
C1 N1 P1 120.31(19) . . ?
P3 N1 P1 125.43(14) . . ?
C25 N2 P2 123.34(18) . . ?
C25 N2 P1 127.39(19) . . ?
P2 N2 P1 101.18(12) . . ?
C2 C1 C6 120.3(3) . . ?
C2 C1 N1 120.3(3) . . ?
C6 C1 N1 119.3(3) . . ?
C1 C2 C3 118.0(3) . . ?
C1 C2 C7 126.3(3) . . ?
C3 C2 C7 115.6(3) . . ?
C4 C3 C2 122.2(3) . . ?
C4 C3 H3 118.9 . . ?
C2 C3 H3 118.9 . . ?
C3 C4 C5 119.2(3) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C4 C5 C6 120.8(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 119.5(3) . . ?
C5 C6 C16 119.0(3) . . ?
C1 C6 C16 121.4(3) . . ?
C12 C7 C8 119.4(3) . . ?
C12 C7 C2 120.2(3) . . ?
C8 C7 C2 119.8(3) . . ?
C9 C8 C7 119.4(3) . . ?
C9 C8 C13 119.4(3) . . ?
C7 C8 C13 121.2(3) . . ?
C10 C9 C8 121.4(3) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C11 118.3(3) . . ?
C9 C10 C14 120.4(3) . . ?
C11 C10 C14 121.2(3) . . ?
C12 C11 C10 122.0(3) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C11 C12 C7 119.3(3) . . ?
C11 C12 C15 118.5(3) . . ?
C7 C12 C15 122.1(3) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 119.8(3) . . ?
C17 C16 C6 121.1(3) . . ?
C21 C16 C6 119.1(3) . . ?
C16 C17 C18 119.0(3) . . ?
C16 C17 C22 121.5(3) . . ?
C18 C17 C22 119.5(3) . . ?
C17 C18 C19 121.5(3) . . ?
C17 C18 H18 119.2 . . ?
C19 C18 H18 119.2 . . ?
C20 C19 C18 117.8(3) . . ?
C20 C19 C23 119.8(4) . . ?
C18 C19 C23 122.3(4) . . ?
C19 C20 C21 122.1(3) . . ?
C19 C20 H20 119.0 . . ?
C21 C20 H20 119.0 . . ?
C20 C21 C16 119.6(3) . . ?
C20 C21 C24 118.9(3) . . ?
C16 C21 C24 121.5(3) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C30 C25 C26 119.6(3) . . ?
C30 C25 N2 119.5(2) . . ?
C26 C25 N2 120.9(2) . . ?
C27 C26 C25 118.5(3) . . ?
C27 C26 C31 116.2(3) . . ?
C25 C26 C31 124.6(3) . . ?
C28 C27 C26 121.7(3) . . ?
C28 C27 H27 119.1 . . ?
C26 C27 H27 119.1 . . ?
C29 C28 C27 119.5(3) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C28 C29 C30 121.2(3) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 H29 119.4 . . ?
C29 C30 C25 118.9(3) . . ?
C29 C30 C40 115.9(3) . . ?
C25 C30 C40 124.9(2) . . ?
C32 C31 C36 119.6(3) . . ?
C32 C31 C26 119.3(3) . . ?
C36 C31 C26 120.6(3) . . ?
C33 C32 C31 118.7(3) . . ?
C33 C32 C37 118.9(3) . . ?
C31 C32 C37 122.2(3) . . ?
C34 C33 C32 122.7(3) . . ?
C34 C33 H33 118.7 . . ?
C32 C33 H33 118.7 . . ?
C33 C34 C35 117.5(3) . . ?
C33 C34 C38 120.9(4) . . ?
C35 C34 C38 121.6(3) . . ?
C34 C35 C36 122.5(3) . . ?
C34 C35 H35 118.7 . . ?
C36 C35 H35 118.7 . . ?
C35 C36 C31 118.8(3) . . ?
C35 C36 C39 120.0(3) . . ?
C31 C36 C39 121.2(3) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C45 C40 C41 119.4(3) . . ?
C45 C40 C30 122.1(3) . . ?
C41 C40 C30 117.9(3) . . ?
C42 C41 C40 119.0(3) . . ?
C42 C41 C46 119.4(3) . . ?
C40 C41 C46 121.6(3) . . ?
C43 C42 C41 122.0(3) . . ?
C43 C42 H42 119.0 . . ?
C41 C42 H42 119.0 . . ?
C42 C43 C44 118.3(3) . . ?
C42 C43 C47 120.5(3) . . ?
C44 C43 C47 121.2(4) . . ?
C45 C44 C43 121.8(3) . . ?
C45 C44 H44 119.1 . . ?
C43 C44 H44 119.1 . . ?
C44 C45 C40 119.5(3) . . ?
C44 C45 C48 119.8(3) . . ?
C40 C45 C48 120.7(3) . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 P3 116.5(2) . . ?
C50 C49 P2 118.6(2) . . ?
P3 C49 P2 124.89(16) . . ?
C53 C50 C52 108.0(3) . . ?
C53 C50 C51 108.7(3) . . ?
C52 C50 C51 109.6(3) . . ?
C53 C50 C49 111.8(2) . . ?
C52 C50 C49 110.3(3) . . ?
C51 C50 C49 108.4(3) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C55A C54A C59A 120.0 . . ?
C55A C54A H54A 120.0 . . ?
C59A C54A H54A 120.0 . . ?
C56A C55A C54A 120.0 . . ?
C56A C55A H55A 120.0 . . ?
C54A C55A H55A 120.0 . . ?
C55A C56A C57A 120.0 . . ?
C55A C56A H56A 120.0 . . ?
C57A C56A H56A 120.0 . . ?
C58A C57A C56A 120.0 . . ?
C58A C57A H57A 120.0 . . ?
C56A C57A H57A 120.0 . . ?
C57A C58A C59A 120.0 . . ?
C57A C58A H58A 120.0 . . ?
C59A C58A H58A 120.0 . . ?
C58A C59A C54A 120.0 . . ?
C58A C59A H59A 120.0 . . ?
C54A C59A H59A 120.0 . . ?
C55B C54B C59B 120.0 . . ?
C55B C54B H54B 120.0 . . ?
C59B C54B H54B 120.0 . . ?
C54B C55B C56B 120.0 . . ?
C54B C55B H55B 120.0 . . ?
C56B C55B H55B 120.0 . . ?
C57B C56B C55B 120.0 . . ?
C57B C56B H56B 120.0 . . ?
C55B C56B H56B 120.0 . . ?
C56B C57B C58B 120.0 . . ?
C56B C57B H57B 120.0 . . ?
C58B C57B H57B 120.0 . . ?
C59B C58B C57B 120.0 . . ?
C59B C58B H58B 120.0 . . ?
C57B C58B H58B 120.0 . . ?
C58B C59B C54B 120.0 . . ?
C58B C59B H59B 120.0 . . ?
C54B C59B H59B 120.0 . . ?
C61 C60 C65 120.0 . . ?
C61 C60 H60 120.0 . . ?
C65 C60 H60 120.0 . . ?
C62 C61 C60 120.0 . . ?
C62 C61 H61 120.0 . . ?
C60 C61 H61 120.0 . . ?
C61 C62 C63 120.0 . . ?
C61 C62 H62 120.0 . . ?
C63 C62 H62 120.0 . . ?
C64 C63 C62 120.0 . . ?
C64 C63 H63 120.0 . . ?
C62 C63 H63 120.0 . . ?
C63 C64 C65 120.0 . . ?
C63 C64 H64 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 C60 120.0 . . ?
C64 C65 H65 120.0 . . ?
C60 C65 H65 120.0 . . ?
C67A C66A C71A 120.0 . . ?
C67A C66A H66A 120.0 . . ?
C71A C66A H66A 120.0 . . ?
C68A C67A C66A 120.0 . . ?
C68A C67A H67A 120.0 . . ?
C66A C67A H67A 120.0 . . ?
C67A C68A C69A 120.0 . . ?
C67A C68A H68A 120.0 . . ?
C69A C68A H68A 120.0 . . ?
C70A C69A C68A 120.0 . . ?
C70A C69A H69A 120.0 . . ?
C68A C69A H69A 120.0 . . ?
C69A C70A C71A 120.0 . . ?
C69A C70A H70A 120.0 . . ?
C71A C70A H70A 120.0 . . ?
C70A C71A C66A 120.0 . . ?
C70A C71A H71A 120.0 . . ?
C66A C71A H71A 120.0 . . ?
C67B C66B C71B 120.0 . . ?
C67B C66B H66B 120.0 . . ?
C71B C66B H66B 120.0 . . ?
C68B C67B C66B 120.0 . . ?
C68B C67B H67B 120.0 . . ?
C66B C67B H67B 120.0 . . ?
C67B C68B C69B 120.0 . . ?
C67B C68B H68B 120.0 . . ?
C69B C68B H68B 120.0 . . ?
C70B C69B C68B 120.0 . . ?
C70B C69B H69B 120.0 . . ?
C68B C69B H69B 120.0 . . ?
C71B C70B C69B 120.0 . . ?
C71B C70B H70B 120.0 . . ?
C69B C70B H70B 120.0 . . ?
C70B C71B C66B 120.0 . . ?
C70B C71B H71B 120.0 . . ?
C66B C71B H71B 120.0 . . ?
C67C C66C C71C 120.0 . . ?
C67C C66C H66C 120.0 . . ?
C71C C66C H66C 120.0 . . ?
C66C C67C C68C 120.0 . . ?
C66C C67C H67C 120.0 . . ?
C68C C67C H67C 120.0 . . ?
C69C C68C C67C 120.0 . . ?
C69C C68C H68C 120.0 . . ?
C67C C68C H68C 120.0 . . ?
C68C C69C C70C 120.0 . . ?
C68C C69C H69C 120.0 . . ?
C70C C69C H69C 120.0 . . ?
C71C C70C C69C 120.0 . . ?
C71C C70C H70C 120.0 . . ?
C69C C70C H70C 120.0 . . ?
C70C C71C C66C 120.0 . . ?
C70C C71C H71C 120.0 . . ?
C66C C71C H71C 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C49 P3 N1 C1 -162.94(19) . . . . ?
C49 P3 N1 P1 9.1(2) . . . . ?
N2 P1 N1 C1 -149.1(2) . . . . ?
Au1 P1 N1 C1 116.89(19) . . . . ?
P2 P1 N1 C1 171.90(19) . . . . ?
N2 P1 N1 P3 39.34(18) . . . . ?
Au1 P1 N1 P3 -54.70(16) . . . . ?
P2 P1 N1 P3 0.32(15) . . . . ?
C49 P2 N2 C25 -135.5(2) . . . . ?
Au1 P2 N2 C25 127.6(2) . . . . ?
P1 P2 N2 C25 150.6(3) . . . . ?
C49 P2 N2 P1 73.95(14) . . . . ?
Au1 P2 N2 P1 -23.00(10) . . . . ?
N1 P1 N2 C25 128.6(2) . . . . ?
Au1 P1 N2 C25 -125.8(2) . . . . ?
P2 P1 N2 C25 -148.9(3) . . . . ?
N1 P1 N2 P2 -82.53(13) . . . . ?
Au1 P1 N2 P2 23.13(11) . . . . ?
P3 N1 C1 C2 -55.5(3) . . . . ?
P1 N1 C1 C2 132.0(3) . . . . ?
P3 N1 C1 C6 121.2(3) . . . . ?
P1 N1 C1 C6 -51.3(3) . . . . ?
C6 C1 C2 C3 -0.3(5) . . . . ?
N1 C1 C2 C3 176.4(3) . . . . ?
C6 C1 C2 C7 176.4(3) . . . . ?
N1 C1 C2 C7 -7.0(5) . . . . ?
C1 C2 C3 C4 -0.6(6) . . . . ?
C7 C2 C3 C4 -177.6(4) . . . . ?
C2 C3 C4 C5 1.2(7) . . . . ?
C3 C4 C5 C6 -0.9(7) . . . . ?
C4 C5 C6 C1 0.0(6) . . . . ?
C4 C5 C6 C16 177.5(4) . . . . ?
C2 C1 C6 C5 0.6(5) . . . . ?
N1 C1 C6 C5 -176.1(3) . . . . ?
C2 C1 C6 C16 -176.9(3) . . . . ?
N1 C1 C6 C16 6.4(4) . . . . ?
C1 C2 C7 C12 112.5(4) . . . . ?
C3 C2 C7 C12 -70.8(4) . . . . ?
C1 C2 C7 C8 -76.2(4) . . . . ?
C3 C2 C7 C8 100.5(4) . . . . ?
C12 C7 C8 C9 1.3(4) . . . . ?
C2 C7 C8 C9 -170.1(3) . . . . ?
C12 C7 C8 C13 -179.1(3) . . . . ?
C2 C7 C8 C13 9.6(4) . . . . ?
C7 C8 C9 C10 -2.4(5) . . . . ?
C13 C8 C9 C10 177.9(3) . . . . ?
C8 C9 C10 C11 1.4(5) . . . . ?
C8 C9 C10 C14 -178.4(3) . . . . ?
C9 C10 C11 C12 0.7(5) . . . . ?
C14 C10 C11 C12 -179.5(3) . . . . ?
C10 C11 C12 C7 -1.8(5) . . . . ?
C10 C11 C12 C15 177.6(3) . . . . ?
C8 C7 C12 C11 0.8(5) . . . . ?
C2 C7 C12 C11 172.1(3) . . . . ?
C8 C7 C12 C15 -178.7(3) . . . . ?
C2 C7 C12 C15 -7.4(5) . . . . ?
C5 C6 C16 C17 104.6(4) . . . . ?
C1 C6 C16 C17 -77.9(4) . . . . ?
C5 C6 C16 C21 -75.8(4) . . . . ?
C1 C6 C16 C21 101.6(4) . . . . ?
C21 C16 C17 C18 -5.2(4) . . . . ?
C6 C16 C17 C18 174.4(3) . . . . ?
C21 C16 C17 C22 174.5(3) . . . . ?
C6 C16 C17 C22 -5.9(4) . . . . ?
C16 C17 C18 C19 2.3(4) . . . . ?
C22 C17 C18 C19 -177.4(3) . . . . ?
C17 C18 C19 C20 1.7(5) . . . . ?
C17 C18 C19 C23 179.6(3) . . . . ?
C18 C19 C20 C21 -2.8(5) . . . . ?
C23 C19 C20 C21 179.2(3) . . . . ?
C19 C20 C21 C16 -0.1(5) . . . . ?
C19 C20 C21 C24 -178.8(3) . . . . ?
C17 C16 C21 C20 4.2(4) . . . . ?
C6 C16 C21 C20 -175.4(3) . . . . ?
C17 C16 C21 C24 -177.1(3) . . . . ?
C6 C16 C21 C24 3.3(4) . . . . ?
P2 N2 C25 C30 56.3(3) . . . . ?
P1 N2 C25 C30 -161.1(2) . . . . ?
P2 N2 C25 C26 -121.7(3) . . . . ?
P1 N2 C25 C26 21.0(4) . . . . ?
C30 C25 C26 C27 8.2(4) . . . . ?
N2 C25 C26 C27 -173.9(3) . . . . ?
C30 C25 C26 C31 -162.2(3) . . . . ?
N2 C25 C26 C31 15.7(4) . . . . ?
C25 C26 C27 C28 -2.1(5) . . . . ?
C31 C26 C27 C28 169.1(3) . . . . ?
C26 C27 C28 C29 -4.2(6) . . . . ?
C27 C28 C29 C30 4.4(6) . . . . ?
C28 C29 C30 C25 1.7(5) . . . . ?
C28 C29 C30 C40 -173.1(3) . . . . ?
C26 C25 C30 C29 -8.0(4) . . . . ?
N2 C25 C30 C29 174.0(3) . . . . ?
C26 C25 C30 C40 166.3(3) . . . . ?
N2 C25 C30 C40 -11.7(4) . . . . ?
C27 C26 C31 C32 -101.9(4) . . . . ?
C25 C26 C31 C32 68.7(4) . . . . ?
C27 C26 C31 C36 70.6(4) . . . . ?
C25 C26 C31 C36 -118.8(3) . . . . ?
C36 C31 C32 C33 -0.5(4) . . . . ?
C26 C31 C32 C33 172.1(3) . . . . ?
C36 C31 C32 C37 -175.8(3) . . . . ?
C26 C31 C32 C37 -3.2(4) . . . . ?
C31 C32 C33 C34 -2.0(5) . . . . ?
C37 C32 C33 C34 173.5(3) . . . . ?
C32 C33 C34 C35 2.5(5) . . . . ?
C32 C33 C34 C38 -175.9(3) . . . . ?
C33 C34 C35 C36 -0.5(5) . . . . ?
C38 C34 C35 C36 177.9(3) . . . . ?
C34 C35 C36 C31 -1.9(5) . . . . ?
C34 C35 C36 C39 177.5(3) . . . . ?
C32 C31 C36 C35 2.3(5) . . . . ?
C26 C31 C36 C35 -170.2(3) . . . . ?
C32 C31 C36 C39 -177.1(3) . . . . ?
C26 C31 C36 C39 10.4(5) . . . . ?
C29 C30 C40 C45 -95.4(3) . . . . ?
C25 C30 C40 C45 90.1(4) . . . . ?
C29 C30 C40 C41 75.8(3) . . . . ?
C25 C30 C40 C41 -98.6(3) . . . . ?
C45 C40 C41 C42 0.7(4) . . . . ?
C30 C40 C41 C42 -170.8(3) . . . . ?
C45 C40 C41 C46 180.0(3) . . . . ?
C30 C40 C41 C46 8.5(4) . . . . ?
C40 C41 C42 C43 -0.3(4) . . . . ?
C46 C41 C42 C43 -179.6(3) . . . . ?
C41 C42 C43 C44 -0.3(5) . . . . ?
C41 C42 C43 C47 177.6(3) . . . . ?
C42 C43 C44 C45 0.5(5) . . . . ?
C47 C43 C44 C45 -177.3(3) . . . . ?
C43 C44 C45 C40 -0.1(5) . . . . ?
C43 C44 C45 C48 178.7(3) . . . . ?
C41 C40 C45 C44 -0.5(4) . . . . ?
C30 C40 C45 C44 170.7(3) . . . . ?
C41 C40 C45 C48 -179.3(3) . . . . ?
C30 C40 C45 C48 -8.1(4) . . . . ?
N1 P3 C49 C50 157.9(2) . . . . ?
N1 P3 C49 P2 -19.7(2) . . . . ?
N2 P2 C49 C50 162.2(2) . . . . ?
Au1 P2 C49 C50 -105.1(2) . . . . ?
P1 P2 C49 C50 -160.2(2) . . . . ?
N2 P2 C49 P3 -20.2(2) . . . . ?
Au1 P2 C49 P3 72.48(18) . . . . ?
P1 P2 C49 P3 17.41(17) . . . . ?
P3 C49 C50 C53 165.9(2) . . . . ?
P2 C49 C50 C53 -16.2(3) . . . . ?
P3 C49 C50 C52 45.7(3) . . . . ?
P2 C49 C50 C52 -136.4(3) . . . . ?
P3 C49 C50 C51 -74.2(3) . . . . ?
P2 C49 C50 C51 103.6(3) . . . . ?
C59A C54A C55A C56A 0.0 . . . . ?
C54A C55A C56A C57A 0.0 . . . . ?
C55A C56A C57A C58A 0.0 . . . . ?
C56A C57A C58A C59A 0.0 . . . . ?
C57A C58A C59A C54A 0.0 . . . . ?
C55A C54A C59A C58A 0.0 . . . . ?
C59B C54B C55B C56B 0.0 . . . . ?
C54B C55B C56B C57B 0.0 . . . . ?
C55B C56B C57B C58B 0.0 . . . . ?
C56B C57B C58B C59B 0.0 . . . . ?
C57B C58B C59B C54B 0.0 . . . . ?
C55B C54B C59B C58B 0.0 . . . . ?
C65 C60 C61 C62 0.0 . . . . ?
C60 C61 C62 C63 0.0 . . . . ?
C61 C62 C63 C64 0.0 . . . . ?
C62 C63 C64 C65 0.0 . . . . ?
C63 C64 C65 C60 0.0 . . . . ?
C61 C60 C65 C64 0.0 . . . . ?
C71A C66A C67A C68A 0.0 . . . . ?
C66A C67A C68A C69A 0.0 . . . . ?
C67A C68A C69A C70A 0.0 . . . . ?
C68A C69A C70A C71A 0.0 . . . . ?
C69A C70A C71A C66A 0.0 . . . . ?
C67A C66A C71A C70A 0.0 . . . . ?
C71B C66B C67B C68B 0.0 . . . . ?
C66B C67B C68B C69B 0.0 . . . . ?
C67B C68B C69B C70B 0.0 . . . . ?
C68B C69B C70B C71B 0.0 . . . . ?
C69B C70B C71B C66B 0.0 . . . . ?
C67B C66B C71B C70B 0.0 . . . . ?
C71C C66C C67C C68C 0.0 . . . . ?
C66C C67C C68C C69C 0.0 . . . . ?
C67C C68C C69C C70C 0.0 . . . . ?
C68C C69C C70C C71C 0.0 . . . . ?
C69C C70C C71C C66C 0.0 . . . . ?
C67C C66C C71C C70C 0.0 . . . . ?

_refine_diff_density_max         1.148
_refine_diff_density_min         -0.634
_refine_diff_density_rms         0.110

_shelxl_version_number           2013-4

