#------------------------------------------------------------------------------
#$Date: 2016-08-07 12:09:26 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185453 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/98/7039844.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7039844
loop_
_publ_author_name
'Jobbágy, Csaba'
'Baranyai, Péter'
'Szabó, Pál'
'Holczbauer, Tamás'
'Rácz, Barbara'
'Li, Liang'
'Naumov, Panče'
'Deák, Andrea'
_publ_section_title
;
 Unexpected formation of a fused double cycle trinuclear gold(i) complex
 supported by ortho-phenyl metallated aryl-diphosphine ligands and strong
 aurophilic interactions.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12569
_journal_page_last               12575
_journal_paper_doi               10.1039/c6dt01528j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety
;
2(C78 H62.53 Au2.47 O2.53 P4), C7 H8, 2(N O3)
;
_chemical_formula_sum            'C163 H133.06 Au4.94 N2 O11.06 P8'
_chemical_formula_weight         3517.50
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   direct
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-07-04 deposited with the CCDC.
2016-07-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.421(3)
_cell_angle_beta                 97.725(3)
_cell_angle_gamma                103.650(3)
_cell_formula_units_Z            1
_cell_length_a                   12.6109(18)
_cell_length_b                   15.351(2)
_cell_length_c                   22.690(3)
_cell_measurement_reflns_used    37690
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      25.39
_cell_measurement_theta_min      3.00
_cell_volume                     4226.3(10)
_computing_cell_refinement       'Crystal Clear V.1.4.1 (Rigaku/MSC, 2007)'
_computing_data_collection       'Crystal Clear V.1.4.1 (Rigaku/MSC, 2007)'
_computing_data_reduction        'Crystal Clear V.1.4.1 (Rigaku/MSC, 2007)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
 scan:  N=1,PHI=0.0,CHI=30.0,OMEGA=10.0,215.0,5.0,COUPLE=0.00                  
 scan:  N=2,PHI=180.0,CHI=30.0,OMEGA=10.0,215.0,5.0,COUPLE=0.00                
 scan:  N=3,PHI=0.0,CHI=0.0,OMEGA=20.0,200.0,5.0,COUPLE=0.00                   
 scan:  N=4,PHI=90.0,CHI=0.0,OMEGA=20.0,200.0,5.0,COUPLE=0.00                  
 scan:  N=5,PHI=90.0,CHI=30.0,OMEGA=10.0,235.0,5.0,COUPLE=0.00                 
 Orientation Matrix:
    UB11 -0.0574 UB12  0.0355 UB13 -0.0056
    UB21 -0.0107 UB22 -0.0073 UB23  0.0427
    UB31  0.0581 UB32  0.0565 UB33  0.0112
    Matrix type: 'd*Trek'
;
_diffrn_measurement_device_type  RX
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1035
_diffrn_reflns_av_unetI/netI     0.2281
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            133257
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.351
_diffrn_reflns_theta_min         2.994
_diffrn_source                   'NORMAL-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.400
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4937
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Rigaku, (2007)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             1724
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.050
_platon_squeeze_details          'Version = 150616'
_platon_squeeze_void_content     1
_refine_diff_density_max         3.061
_refine_diff_density_min         -4.080
_refine_diff_density_rms         0.152
_refine_ls_extinction_coef       0.00045(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.862
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     778
_refine_ls_number_reflns         15413
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.862
_refine_ls_R_factor_all          0.1152
_refine_ls_R_factor_gt           0.0679
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0001P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1446
_refine_ls_wR_factor_ref         0.1644
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6877
_reflns_number_total             15413
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt01528j4.cif
_cod_data_source_block           complex_3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7039843--7039844.cif.
;
_cod_original_cell_volume        4226.2(10)
_cod_database_code               7039844
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.406
_shelx_estimated_absorpt_t_max   0.810
_exptl_absorpt_special_details
;
 T.Higashi, Empirical Absorption Correction, 2001
;
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.70166(7) 0.47407(7) 0.24857(4) 0.0586(2) Uani 0.6 1 d . . P A 1
O1P O 0.6860(13) 0.4239(10) 0.1983(7) 0.042(5) Uiso 0.4 1 d D . P A 2
Au2 Au 0.70287(4) 0.30580(3) 0.29308(2) 0.04263(15) Uani 1 1 d . . . . .
Au3 Au 0.68207(5) 0.11944(4) 0.31172(3) 0.04994(17) Uani 0.87 1 d . . P A 1
O1P' O 0.688(3) 0.129(3) 0.254(3) 0.050(17) Uiso 0.13 1 d D . P A 2
P1 P 0.6151(3) 0.4509(2) 0.14942(16) 0.0490(9) Uani 1 1 d D . . . .
P2 P 0.5165(3) 0.2482(2) 0.29388(15) 0.0404(8) Uani 1 1 d . . . . .
P1' P 0.7739(3) 0.0883(2) 0.23472(16) 0.0433(8) Uani 1 1 d D . . . .
P2' P 0.8850(3) 0.3817(2) 0.32084(15) 0.0411(8) Uani 1 1 d . . . . .
C1 C 0.5769(10) 0.3541(8) 0.0957(6) 0.047(3) Uani 1 1 d . . . . .
C2 C 0.6105(10) 0.3632(9) 0.0389(7) 0.056(4) Uani 1 1 d . . . . .
H2 H 0.6620 0.4165 0.0314 0.067 Uiso 1 1 calc R U . . .
C3 C 0.5724(11) 0.2985(8) -0.0064(6) 0.051(4) Uani 1 1 d . . . . .
H3 H 0.5972 0.3056 -0.0442 0.061 Uiso 1 1 calc R U . . .
C4 C 0.4979(10) 0.2243(9) 0.0059(6) 0.053(4) Uani 1 1 d . . . . .
H4 H 0.4665 0.1810 -0.0256 0.064 Uiso 1 1 calc R U . . .
C5 C 0.4642(9) 0.2070(8) 0.0605(6) 0.045(3) Uani 1 1 d . . . . .
C6 C 0.3690(10) 0.1273(8) 0.0704(6) 0.051(4) Uani 1 1 d . . . . .
C7 C 0.3841(9) 0.1077(7) 0.1347(6) 0.042(3) Uani 1 1 d . . . . .
C8 C 0.3407(9) 0.0234(8) 0.1578(7) 0.049(4) Uani 1 1 d . . . . .
H8 H 0.3070 -0.0250 0.1300 0.059 Uiso 1 1 calc R U . . .
C9 C 0.3436(10) 0.0062(8) 0.2167(7) 0.053(4) Uani 1 1 d . . . . .
H9 H 0.3105 -0.0515 0.2292 0.064 Uiso 1 1 calc R U . . .
C10 C 0.3970(9) 0.0764(7) 0.2586(6) 0.048(3) Uani 1 1 d . . . . .
H10 H 0.4024 0.0654 0.2999 0.058 Uiso 1 1 calc R U . . .
C11 C 0.4420(8) 0.1619(7) 0.2399(6) 0.038(3) Uani 1 1 d . . . . .
C12 C 0.4329(9) 0.1746(7) 0.1800(6) 0.038(3) Uani 1 1 d . . . . .
C13 C 0.5052(9) 0.2727(7) 0.1055(6) 0.041(3) Uani 1 1 d . . . . .
C14 C 0.2593(9) 0.1550(8) 0.0570(6) 0.061(4) Uani 1 1 d . . . . .
H14A H 0.2455 0.1665 0.0146 0.091 Uiso 1 1 calc R U . . .
H14B H 0.2628 0.2095 0.0806 0.091 Uiso 1 1 calc R U . . .
H14C H 0.1994 0.1066 0.0672 0.091 Uiso 1 1 calc R U . . .
C15 C 0.3710(11) 0.0469(8) 0.0321(6) 0.075(5) Uani 1 1 d . . . . .
H15A H 0.4402 0.0289 0.0435 0.113 Uiso 1 1 calc R U . . .
H15B H 0.3652 0.0626 -0.0099 0.113 Uiso 1 1 calc R U . . .
H15C H 0.3088 -0.0029 0.0376 0.113 Uiso 1 1 calc R U . . .
O1 O 0.4793(6) 0.2635(5) 0.1621(4) 0.047(2) Uani 1 1 d . . . . .
C16 C 0.6967(9) 0.5416(7) 0.1123(5) 0.040(3) Uani 1 1 d . . . . .
C17 C 0.8120(10) 0.5604(8) 0.1280(6) 0.054(4) Uani 1 1 d . . . . .
H17 H 0.8445 0.5281 0.1580 0.064 Uiso 1 1 calc R U . . .
C18 C 0.8786(11) 0.6287(8) 0.0981(6) 0.054(4) Uani 1 1 d . . . . .
H18 H 0.9565 0.6421 0.1079 0.065 Uiso 1 1 calc R U . . .
C19 C 0.8315(10) 0.6745(8) 0.0559(6) 0.049(4) Uani 1 1 d . . . . .
H19 H 0.8771 0.7203 0.0364 0.058 Uiso 1 1 calc R U . . .
C20 C 0.7218(11) 0.6569(8) 0.0408(6) 0.053(4) Uani 1 1 d . . . . .
H20 H 0.6911 0.6906 0.0112 0.064 Uiso 1 1 calc R U . . .
C21 C 0.6523(11) 0.5899(7) 0.0680(6) 0.050(4) Uani 1 1 d . . . . .
H21 H 0.5748 0.5772 0.0563 0.060 Uiso 1 1 calc R U . . .
C22A C 0.4861(11) 0.4917(10) 0.1471(7) 0.024(5) Uiso 0.6 1 d G . P A 1
C23A C 0.4808(11) 0.5601(10) 0.1862(6) 0.048(6) Uiso 0.6 1 d DG . P A 1
H23 H 0.5376 0.5794 0.2188 0.058 Uiso 0.6 1 calc R U P A 1
C24A C 0.3923(12) 0.6004(9) 0.1776(7) 0.052(6) Uiso 0.6 1 d DG . P A 1
H24 H 0.3887 0.6472 0.2044 0.062 Uiso 0.6 1 calc R U P A 1
C25A C 0.3092(10) 0.5722(9) 0.1299(7) 0.044(5) Uiso 0.6 1 d G . P A 1
H25 H 0.2488 0.5998 0.1240 0.053 Uiso 0.6 1 calc R U P A 1
C26A C 0.3146(12) 0.5038(10) 0.0908(7) 0.054(6) Uiso 0.6 1 d G . P A 1
H26 H 0.2578 0.4846 0.0582 0.064 Uiso 0.6 1 calc R U P A 1
C27A C 0.4030(13) 0.4635(10) 0.0994(7) 0.045(9) Uiso 0.6 1 d G . P A 1
H27 H 0.4066 0.4168 0.0726 0.054 Uiso 0.6 1 calc R U P A 1
C22B C 0.497(2) 0.4754(18) 0.1552(14) 0.088(18) Uiso 0.4 1 d G . P A 2
C23B C 0.5119(18) 0.5387(18) 0.2016(11) 0.056(10) Uiso 0.4 1 d G . P A 2
H23B H 0.5737 0.5458 0.2317 0.072 Uiso 0.4 1 calc R U P A 2
C24B C 0.437(2) 0.5915(15) 0.2039(10) 0.064(10) Uiso 0.4 1 d G . P A 2
H24B H 0.4473 0.6347 0.2356 0.083 Uiso 0.4 1 calc R U P A 2
C25B C 0.3464(19) 0.5810(15) 0.1598(12) 0.053(9) Uiso 0.4 1 d G . P A 2
H25B H 0.2950 0.6171 0.1614 0.069 Uiso 0.4 1 calc R U P A 2
C26B C 0.3311(18) 0.5177(16) 0.1134(10) 0.044(8) Uiso 0.4 1 d G . P A 2
H26B H 0.2693 0.5106 0.0832 0.058 Uiso 0.4 1 calc R U P A 2
C27B C 0.406(2) 0.4649(17) 0.1111(12) 0.050(14) Uiso 0.4 1 d G . P A 2
H27B H 0.3957 0.4216 0.0793 0.065 Uiso 0.4 1 calc R U P A 2
C28 C 0.4388(10) 0.3302(8) 0.2934(6) 0.047(4) Uani 1 1 d . . . . .
C29 C 0.4786(10) 0.4078(8) 0.3311(6) 0.048(4) Uani 1 1 d . . . . .
H29 H 0.5476 0.4145 0.3555 0.058 Uiso 1 1 calc R U . . .
C30 C 0.4225(11) 0.4748(8) 0.3345(6) 0.055(4) Uani 1 1 d . . . . .
H30 H 0.4537 0.5262 0.3602 0.066 Uiso 1 1 calc R U . . .
C31 C 0.3193(11) 0.4665(8) 0.2998(6) 0.059(4) Uani 1 1 d . . . . .
H31 H 0.2792 0.5114 0.3018 0.071 Uiso 1 1 calc R U . . .
C32 C 0.2776(10) 0.3900(8) 0.2620(6) 0.052(4) Uani 1 1 d . . . . .
H32A H 0.2090 0.3835 0.2372 0.063 Uiso 1 1 calc R U . . .
C33 C 0.3355(10) 0.3233(8) 0.2604(6) 0.052(4) Uani 1 1 d . . . . .
H33 H 0.3032 0.2709 0.2358 0.062 Uiso 1 1 calc R U . . .
C34 C 0.5090(8) 0.1977(6) 0.3638(3) 0.055(4) Uani 1 1 d G . . . .
C35 C 0.5820(7) 0.1435(6) 0.3784(4) 0.062(4) Uani 1 1 d G . . . .
H35 H 0.6313 0.1349 0.3534 0.080 Uiso 0.13 1 d R U P A 2
C36 C 0.5831(8) 0.1007(5) 0.4322(5) 0.084(5) Uani 1 1 d G . . . .
H36 H 0.6330 0.0637 0.4421 0.101 Uiso 1 1 calc R U . . .
C37 C 0.5112(10) 0.1120(6) 0.4714(4) 0.098(7) Uani 1 1 d G . . . .
H37 H 0.5120 0.0827 0.5081 0.118 Uiso 1 1 calc R U . . .
C38 C 0.4382(8) 0.1662(7) 0.4568(4) 0.094(6) Uani 1 1 d G U . . .
H38 H 0.3890 0.1739 0.4836 0.113 Uiso 1 1 calc R U . . .
C39 C 0.4371(7) 0.2090(5) 0.4030(5) 0.067(4) Uani 1 1 d G U . . .
H39 H 0.3872 0.2460 0.3931 0.080 Uiso 1 1 calc R U . . .
C1' C 0.7716(10) 0.1482(9) 0.1653(6) 0.055(4) Uani 1 1 d . . . . .
C2' C 0.7089(10) 0.1097(8) 0.1140(6) 0.051(4) Uani 1 1 d . . . . .
H2' H 0.6574 0.0538 0.1153 0.061 Uiso 1 1 calc R U . . .
C3' C 0.7184(10) 0.1497(8) 0.0605(6) 0.051(4) Uani 1 1 d . . . . .
H3' H 0.6681 0.1249 0.0262 0.062 Uiso 1 1 calc R U . . .
C4' C 0.8013(10) 0.2265(8) 0.0562(6) 0.049(3) Uani 1 1 d . . . . .
H4' H 0.8130 0.2487 0.0180 0.059 Uiso 1 1 calc R U . . .
C5' C 0.8647(10) 0.2697(9) 0.1046(6) 0.055(4) Uani 1 1 d . . . . .
C6' C 0.9684(11) 0.3423(8) 0.1039(6) 0.049(3) Uani 1 1 d . . . . .
C7' C 0.9918(9) 0.4026(7) 0.1605(5) 0.037(3) Uani 1 1 d . . . . .
C8' C 1.0504(9) 0.4879(8) 0.1628(5) 0.044(3) Uani 1 1 d . . . . .
H8' H 1.0803 0.5115 0.1284 0.053 Uiso 1 1 calc R U . . .
C9' C 1.0687(9) 0.5422(8) 0.2133(6) 0.051(4) Uani 1 1 d . . . . .
H9' H 1.1126 0.6018 0.2137 0.061 Uiso 1 1 calc R U . . .
C10' C 1.0235(9) 0.5106(8) 0.2633(6) 0.046(3) Uani 1 1 d . . . . .
H10' H 1.0328 0.5479 0.2981 0.055 Uiso 1 1 calc R U . . .
C11' C 0.9633(8) 0.4214(7) 0.2606(5) 0.034(3) Uani 1 1 d . . . . .
C12' C 0.9523(9) 0.3687(7) 0.2099(5) 0.038(3) Uani 1 1 d . . . . .
C13' C 0.8477(9) 0.2346(8) 0.1589(6) 0.045(3) Uani 1 1 d . . . . .
C14' C 0.9637(12) 0.3965(8) 0.0481(6) 0.071(5) Uani 1 1 d . . . . .
H14D H 1.0328 0.4425 0.0492 0.106 Uiso 1 1 calc R U . . .
H14E H 0.9020 0.4255 0.0463 0.106 Uiso 1 1 calc R U . . .
H14F H 0.9534 0.3565 0.0128 0.106 Uiso 1 1 calc R U . . .
C15' C 1.0709(11) 0.2943(8) 0.1043(6) 0.062(4) Uani 1 1 d . . . . .
H15D H 1.1394 0.3402 0.1035 0.092 Uiso 1 1 calc R U . . .
H15E H 1.0576 0.2536 0.0691 0.092 Uiso 1 1 calc R U . . .
H15F H 1.0772 0.2601 0.1404 0.092 Uiso 1 1 calc R U . . .
O1' O 0.9011(6) 0.2772(5) 0.2132(3) 0.041(2) Uani 1 1 d . . . . .
C16' C 0.7147(10) -0.0277(8) 0.2074(6) 0.048(4) Uani 1 1 d . . . . .
C17' C 0.5976(11) -0.0544(7) 0.2019(6) 0.059(4) Uani 1 1 d . . . . .
H17' H 0.5558 -0.0155 0.2145 0.070 Uiso 1 1 calc R U . . .
C18' C 0.5464(11) -0.1407(9) 0.1770(6) 0.059(4) Uani 1 1 d . . . . .
H18' H 0.4683 -0.1601 0.1729 0.071 Uiso 1 1 calc R U . . .
C19' C 0.6046(13) -0.1970(8) 0.1584(6) 0.063(5) Uani 1 1 d . . . . .
H19' H 0.5673 -0.2550 0.1420 0.076 Uiso 1 1 calc R U . . .
C20' C 0.7178(12) -0.1701(10) 0.1635(7) 0.082(6) Uani 1 1 d . . . . .
H20' H 0.7598 -0.2079 0.1496 0.099 Uiso 1 1 calc R U . . .
C21' C 0.7690(11) -0.0848(8) 0.1899(7) 0.061(4) Uani 1 1 d . . . . .
H21' H 0.8472 -0.0673 0.1956 0.073 Uiso 1 1 calc R U . . .
C22' C 0.9164(10) 0.0935(7) 0.2555(6) 0.042(3) Uani 1 1 d . . . . .
C23' C 0.9523(10) 0.0854(7) 0.3168(6) 0.048(4) Uani 1 1 d . . . . .
H23' H 0.9016 0.0815 0.3447 0.057 Uiso 1 1 calc R U . . .
C24' C 1.0628(12) 0.0830(9) 0.3370(7) 0.063(4) Uani 1 1 d . . . . .
H24' H 1.0868 0.0755 0.3777 0.076 Uiso 1 1 calc R U . . .
C25' C 1.1345(11) 0.0918(9) 0.2952(7) 0.062(4) Uani 1 1 d . . . . .
H25' H 1.2098 0.0932 0.3078 0.074 Uiso 1 1 calc R U . . .
C26' C 1.0997(11) 0.0986(8) 0.2364(6) 0.055(4) Uani 1 1 d . . . . .
H26' H 1.1512 0.1037 0.2089 0.066 Uiso 1 1 calc R U . . .
C27' C 0.9923(9) 0.0983(7) 0.2157(6) 0.044(3) Uani 1 1 d . . . . .
H27' H 0.9698 0.1014 0.1743 0.053 Uiso 1 1 calc R U . . .
C28' C 0.9688(7) 0.3246(6) 0.3702(4) 0.048(3) Uani 1 1 d G . . . .
C29' C 1.0826(7) 0.3456(5) 0.3721(4) 0.053(4) Uani 1 1 d G . . . .
H29' H 1.1166 0.3878 0.3458 0.064 Uiso 1 1 calc R U . . .
C30' C 1.1468(6) 0.3050(6) 0.4125(4) 0.075(5) Uani 1 1 d G U . . .
H30' H 1.2246 0.3194 0.4138 0.090 Uiso 1 1 calc R U . . .
C31' C 1.0971(10) 0.2433(6) 0.4510(4) 0.098(6) Uani 1 1 d G U . . .
H31' H 1.1410 0.2156 0.4787 0.117 Uiso 1 1 calc R U . . .
C32' C 0.9833(10) 0.2222(5) 0.4491(4) 0.073(5) Uani 1 1 d G . . . .
H32' H 0.9493 0.1801 0.4754 0.088 Uiso 1 1 calc R U . . .
C33' C 0.9191(6) 0.2629(6) 0.4087(4) 0.066(4) Uani 1 1 d G . . . .
H33' H 0.8413 0.2485 0.4074 0.079 Uiso 1 1 calc R U . . .
C34' C 0.8829(16) 0.4883(10) 0.3577(8) 0.044(8) Uiso 0.6 1 d G . P A 1
C35' C 0.8046(16) 0.5326(13) 0.3326(7) 0.058(10) Uiso 0.6 1 d G . P A 1
C36' C 0.7954(14) 0.6115(12) 0.3597(8) 0.070(10) Uiso 0.6 1 d G . P A 1
H36' H 0.7419 0.6418 0.3426 0.084 Uiso 0.6 1 calc R U P A 1
C37' C 0.8645(14) 0.6462(9) 0.4117(8) 0.071(8) Uiso 0.6 1 d G . P A 1
H37' H 0.8582 0.7001 0.4302 0.085 Uiso 0.6 1 calc R U P A 1
C38' C 0.9428(12) 0.6019(10) 0.4367(6) 0.053(6) Uiso 0.6 1 d G . P A 1
H38' H 0.9901 0.6256 0.4723 0.064 Uiso 0.6 1 calc R U P A 1
C39' C 0.9521(13) 0.5229(11) 0.4097(8) 0.058(7) Uiso 0.6 1 d G . P A 1
H39' H 1.0056 0.4927 0.4268 0.069 Uiso 0.6 1 calc R U P A 1
C34" C 0.865(2) 0.4729(14) 0.3605(10) 0.032(10) Uiso 0.4 1 d G . P A 2
C35" C 0.790(2) 0.5182(17) 0.3332(8) 0.047(13) Uiso 0.4 1 d G . P A 2
H35" H 0.7518 0.4991 0.2946 0.061 Uiso 0.4 1 calc R U P A 2
C36" C 0.7703(18) 0.5915(16) 0.3624(10) 0.037(9) Uiso 0.4 1 d G . P A 2
H36" H 0.7187 0.6225 0.3438 0.044 Uiso 0.4 1 calc R U P A 2
C37" C 0.8261(17) 0.6196(12) 0.4190(9) 0.047(9) Uiso 0.4 1 d G . P A 2
H37" H 0.8127 0.6697 0.4389 0.056 Uiso 0.4 1 calc R U P A 2
C38" C 0.9015(16) 0.5743(13) 0.4463(7) 0.037(7) Uiso 0.4 1 d G . P A 2
H38" H 0.9396 0.5934 0.4849 0.044 Uiso 0.4 1 calc R U P A 2
C39" C 0.9211(18) 0.5009(13) 0.4170(10) 0.043(9) Uiso 0.4 1 d G . P A 2
H39" H 0.9727 0.4700 0.4357 0.052 Uiso 0.4 1 calc R U P A 2
N1 N 0.7775(9) 0.2314(8) 0.8806(6) 0.056(3) Uani 1 1 d . . . B 2
O3 O 0.7277(10) 0.1791(6) 0.9131(5) 0.094(4) Uani 1 1 d . . . B 2
O4 O 0.8519(8) 0.2916(7) 0.9055(5) 0.096(4) Uani 1 1 d . . . B 2
O2 O 0.7495(8) 0.2267(6) 0.8263(5) 0.073(3) Uani 1 1 d . . . B 2
C40 C 1.0556(12) -0.0240(13) 0.9604(10) 0.083(6) Uani 1 1 d . U . C 2
H40 H 1.0956 -0.0410 0.9314 0.100 Uiso 1 1 calc R U . C 2
C41 C 1.0000(15) 0.0465(11) 0.9465(9) 0.085(6) Uani 1 1 d D . . C 2
H41 H 1.0025 0.0761 0.9099 0.111 Uiso 0.5 1 d R U P C 1
C42 C 0.9454(14) 0.0680(11) 0.9876(10) 0.089(6) Uani 1 1 d . . . . .
H42 H 0.9067 0.1140 0.9811 0.107 Uiso 1 1 calc R U . C 2
C43 C 0.987(2) 0.0939(16) 0.8942(11) 0.065(9) Uani 0.5 1 d D U P C 2
H43A H 1.0296 0.0754 0.8652 0.098 Uiso 0.5 1 calc R U P C 2
H43B H 0.9092 0.0809 0.8775 0.098 Uiso 0.5 1 calc R U P C 2
H43C H 1.0145 0.1584 0.9036 0.098 Uiso 0.5 1 calc R U P C 2
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C35' Au1 P1 164.0(6) . .
C35' Au1 Au2 87.5(5) . .
P1 Au1 Au2 107.07(9) . .
P2 Au2 P2' 162.14(12) . .
P2 Au2 Au1 100.40(9) . .
P2' Au2 Au1 78.80(9) . .
P2 Au2 Au3 75.52(8) . .
P2' Au2 Au3 108.96(9) . .
Au1 Au2 Au3 166.92(3) . .
C35 Au3 P1' 174.7(3) . .
C35 Au3 Au2 83.0(3) . .
P1' Au3 Au2 97.91(8) . .
O1P P1 C22B 124.8(14) . .
O1P P1 C16 108.8(8) . .
C22B P1 C16 107.8(12) . .
O1P P1 C1 104.6(8) . .
C22B P1 C1 103.5(11) . .
C16 P1 C1 105.7(6) . .
C16 P1 C22A 99.3(7) . .
C1 P1 C22A 104.2(6) . .
C16 P1 Au1 102.6(4) . .
C1 P1 Au1 134.2(4) . .
C22A P1 Au1 105.9(5) . .
C28 P2 C34 105.9(6) . .
C28 P2 C11 106.7(5) . .
C34 P2 C11 105.2(5) . .
C28 P2 Au2 114.3(4) . .
C34 P2 Au2 104.1(3) . .
C11 P2 Au2 119.4(4) . .
O1P' P1' C22' 139(2) . .
O1P' P1' C16' 111(2) . .
C22' P1' C16' 104.3(6) . .
O1P' P1' C1' 91(3) . .
C22' P1' C1' 103.0(6) . .
C16' P1' C1' 101.4(6) . .
C22' P1' Au3 115.0(5) . .
C16' P1' Au3 108.7(4) . .
C1' P1' Au3 122.2(4) . .
C34" P2' C28' 108.1(9) . .
C34" P2' C11' 109.7(10) . .
C28' P2' C11' 106.5(5) . .
C28' P2' C34' 108.6(7) . .
C11' P2' C34' 101.3(7) . .
C34" P2' Au2 99.5(9) . .
C28' P2' Au2 116.3(3) . .
C11' P2' Au2 116.3(4) . .
C34' P2' Au2 106.7(6) . .
C13 C1 C2 116.2(11) . .
C13 C1 P1 123.5(10) . .
C2 C1 P1 120.0(10) . .
C3 C2 C1 123.3(12) . .
C3 C2 H2 118.4 . .
C1 C2 H2 118.4 . .
C4 C3 C2 116.3(13) . .
C4 C3 H3 121.8 . .
C2 C3 H3 121.8 . .
C3 C4 C5 124.8(12) . .
C3 C4 H4 117.6 . .
C5 C4 H4 117.6 . .
C4 C5 C13 117.5(11) . .
C4 C5 C6 122.7(11) . .
C13 C5 C6 118.9(11) . .
C7 C6 C15 111.0(11) . .
C7 C6 C14 107.3(11) . .
C15 C6 C14 111.8(10) . .
C7 C6 C5 107.3(10) . .
C15 C6 C5 110.0(11) . .
C14 C6 C5 109.3(11) . .
C8 C7 C12 112.5(12) . .
C8 C7 C6 124.0(10) . .
C12 C7 C6 123.1(11) . .
C9 C8 C7 125.1(12) . .
C9 C8 H8 117.4 . .
C7 C8 H8 117.4 . .
C8 C9 C10 118.3(12) . .
C8 C9 H9 120.9 . .
C10 C9 H9 120.9 . .
C11 C10 C9 120.6(12) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C12 C11 C10 117.7(10) . .
C12 C11 P2 122.5(9) . .
C10 C11 P2 119.7(10) . .
C11 C12 C7 125.7(11) . .
C11 C12 O1 116.5(9) . .
C7 C12 O1 117.7(11) . .
O1 C13 C5 123.4(10) . .
O1 C13 C1 115.0(10) . .
C5 C13 C1 121.7(12) . .
C6 C14 H14A 109.5 . .
C6 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C6 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C6 C15 H15A 109.5 . .
C6 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C6 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 O1 C12 117.7(9) . .
C21 C16 C17 119.1(11) . .
C21 C16 P1 123.7(9) . .
C17 C16 P1 117.1(10) . .
C16 C17 C18 118.5(13) . .
C16 C17 H17 120.7 . .
C18 C17 H17 120.7 . .
C19 C18 C17 120.2(13) . .
C19 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
C20 C19 C18 121.4(13) . .
C20 C19 H19 119.3 . .
C18 C19 H19 119.3 . .
C19 C20 C21 121.1(13) . .
C19 C20 H20 119.5 . .
C21 C20 H20 119.5 . .
C16 C21 C20 119.6(12) . .
C16 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C23A C22A C27A 120.0 . .
C23A C22A P1 120.6(8) . .
C27A C22A P1 118.5(8) . .
C22A C23A C24A 120.0 . .
C22A C23A H23 120.0 . .
C24A C23A H23 120.0 . .
C25A C24A C23A 120.0 . .
C25A C24A H24 120.0 . .
C23A C24A H24 120.0 . .
C24A C25A C26A 120.0 . .
C24A C25A H25 120.0 . .
C26A C25A H25 120.0 . .
C27A C26A C25A 120.0 . .
C27A C26A H26 120.0 . .
C25A C26A H26 120.0 . .
C26A C27A C22A 120.0 . .
C26A C27A H27 120.0 . .
C22A C27A H27 120.0 . .
C23B C22B C27B 120.0 . .
C23B C22B P1 109.0(17) . .
C27B C22B P1 127.1(17) . .
C22B C23B C24B 120.0 . .
C22B C23B H23B 120.0 . .
C24B C23B H23B 120.0 . .
C23B C24B C25B 120.0 . .
C23B C24B H24B 120.0 . .
C25B C24B H24B 120.0 . .
C26B C25B C24B 120.0 . .
C26B C25B H25B 120.0 . .
C24B C25B H25B 120.0 . .
C27B C26B C25B 120.0 . .
C27B C26B H26B 120.0 . .
C25B C26B H26B 120.0 . .
C26B C27B C22B 120.0 . .
C26B C27B H27B 120.0 . .
C22B C27B H27B 120.0 . .
C33 C28 C29 115.2(13) . .
C33 C28 P2 125.2(9) . .
C29 C28 P2 119.5(10) . .
C30 C29 C28 123.6(12) . .
C30 C29 H29 118.2 . .
C28 C29 H29 118.2 . .
C29 C30 C31 119.8(12) . .
C29 C30 H30 120.1 . .
C31 C30 H30 120.1 . .
C32 C31 C30 117.8(13) . .
C32 C31 H31 121.1 . .
C30 C31 H31 121.1 . .
C33 C32 C31 120.9(12) . .
C33 C32 H32A 119.6 . .
C31 C32 H32A 119.6 . .
C28 C33 C32 122.7(12) . .
C28 C33 H33 118.7 . .
C32 C33 H33 118.7 . .
C35 C34 C39 120.0 . .
C35 C34 P2 115.2(7) . .
C39 C34 P2 124.8(7) . .
C34 C35 C36 120.0 . .
C34 C35 Au3 118.0(6) . .
C36 C35 Au3 121.8(6) . .
C34 C35 H35 122.1 . .
C36 C35 H35 117.9 . .
C37 C36 C35 120.0 . .
C37 C36 H36 120.0 . .
C35 C36 H36 120.0 . .
C36 C37 C38 120.0 . .
C36 C37 H37 120.0 . .
C38 C37 H37 120.0 . .
C37 C38 C39 120.0 . .
C37 C38 H38 120.0 . .
C39 C38 H38 120.0 . .
C38 C39 C34 120.0 . .
C38 C39 H39 120.0 . .
C34 C39 H39 120.0 . .
C2' C1' C13' 115.2(13) . .
C2' C1' P1' 121.8(11) . .
C13' C1' P1' 122.5(9) . .
C1' C2' C3' 121.6(12) . .
C1' C2' H2' 119.2 . .
C3' C2' H2' 119.2 . .
C2' C3' C4' 120.3(12) . .
C2' C3' H3' 119.8 . .
C4' C3' H3' 119.8 . .
C5' C4' C3' 121.5(13) . .
C5' C4' H4' 119.3 . .
C3' C4' H4' 119.3 . .
C4' C5' C13' 117.8(12) . .
C4' C5' C6' 124.9(13) . .
C13' C5' C6' 116.0(11) . .
C5' C6' C14' 112.1(11) . .
C5' C6' C7' 110.3(10) . .
C14' C6' C7' 111.6(10) . .
C5' C6' C15' 107.9(10) . .
C14' C6' C15' 107.6(11) . .
C7' C6' C15' 107.2(10) . .
C8' C7' C12' 118.7(11) . .
C8' C7' C6' 122.5(11) . .
C12' C7' C6' 118.8(10) . .
C7' C8' C9' 122.2(12) . .
C7' C8' H8' 118.9 . .
C9' C8' H8' 118.9 . .
C8' C9' C10' 120.2(11) . .
C8' C9' H9' 119.9 . .
C10' C9' H9' 119.9 . .
C9' C10' C11' 117.2(11) . .
C9' C10' H10' 121.4 . .
C11' C10' H10' 121.4 . .
C12' C11' C10' 120.1(11) . .
C12' C11' P2' 120.7(7) . .
C10' C11' P2' 118.6(9) . .
C7' C12' C11' 121.4(10) . .
C7' C12' O1' 122.1(10) . .
C11' C12' O1' 116.4(10) . .
C5' C13' O1' 123.6(11) . .
C5' C13' C1' 122.7(11) . .
O1' C13' C1' 113.6(11) . .
C6' C14' H14D 109.5 . .
C6' C14' H14E 109.5 . .
H14D C14' H14E 109.5 . .
C6' C14' H14F 109.5 . .
H14D C14' H14F 109.5 . .
H14E C14' H14F 109.5 . .
C6' C15' H15D 109.5 . .
C6' C15' H15E 109.5 . .
H15D C15' H15E 109.5 . .
C6' C15' H15F 109.5 . .
H15D C15' H15F 109.5 . .
H15E C15' H15F 109.5 . .
C13' O1' C12' 114.8(9) . .
C21' C16' C17' 118.9(11) . .
C21' C16' P1' 126.5(10) . .
C17' C16' P1' 114.5(10) . .
C18' C17' C16' 117.3(13) . .
C18' C17' H17' 121.4 . .
C16' C17' H17' 121.4 . .
C19' C18' C17' 122.3(13) . .
C19' C18' H18' 118.9 . .
C17' C18' H18' 118.9 . .
C18' C19' C20' 119.9(12) . .
C18' C19' H19' 120.0 . .
C20' C19' H19' 120.0 . .
C19' C20' C21' 117.6(14) . .
C19' C20' H20' 121.2 . .
C21' C20' H20' 121.2 . .
C16' C21' C20' 123.9(13) . .
C16' C21' H21' 118.1 . .
C20' C21' H21' 118.1 . .
C27' C22' C23' 118.3(12) . .
C27' C22' P1' 124.7(11) . .
C23' C22' P1' 116.8(10) . .
C24' C23' C22' 120.8(12) . .
C24' C23' H23' 119.6 . .
C22' C23' H23' 119.6 . .
C25' C24' C23' 117.6(14) . .
C25' C24' H24' 121.2 . .
C23' C24' H24' 121.2 . .
C26' C25' C24' 121.5(14) . .
C26' C25' H25' 119.2 . .
C24' C25' H25' 119.2 . .
C25' C26' C27' 121.8(14) . .
C25' C26' H26' 119.1 . .
C27' C26' H26' 119.1 . .
C26' C27' C22' 119.9(13) . .
C26' C27' H27' 120.0 . .
C22' C27' H27' 120.0 . .
C29' C28' C33' 120.0 . .
C29' C28' P2' 120.4(6) . .
C33' C28' P2' 119.5(6) . .
C30' C29' C28' 120.0 . .
C30' C29' H29' 120.0 . .
C28' C29' H29' 120.0 . .
C29' C30' C31' 120.0 . .
C29' C30' H30' 120.0 . .
C31' C30' H30' 120.0 . .
C32' C31' C30' 120.0 . .
C32' C31' H31' 120.0 . .
C30' C31' H31' 120.0 . .
C33' C32' C31' 120.0 . .
C33' C32' H32' 120.0 . .
C31' C32' H32' 120.0 . .
C32' C33' C28' 120.0 . .
C32' C33' H33' 120.0 . .
C28' C33' H33' 120.0 . .
C35' C34' C39' 120.0 . .
C35' C34' P2' 117.0(11) . .
C39' C34' P2' 123.0(11) . .
C36' C35' C34' 120.0 . .
C36' C35' Au1 122.7(11) . .
C34' C35' Au1 117.3(11) . .
C35' C36' C37' 120.0 . .
C35' C36' H36' 120.0 . .
C37' C36' H36' 120.0 . .
C38' C37' C36' 120.0 . .
C38' C37' H37' 120.0 . .
C36' C37' H37' 120.0 . .
C39' C38' C37' 120.0 . .
C39' C38' H38' 120.0 . .
C37' C38' H38' 120.0 . .
C38' C39' C34' 120.0 . .
C38' C39' H39' 120.0 . .
C34' C39' H39' 120.0 . .
C35" C34" C39" 120.0 . .
C35" C34" P2' 117.1(14) . .
C39" C34" P2' 122.9(14) . .
C34" C35" C36" 120.0 . .
C34" C35" H35" 120.0 . .
C36" C35" H35" 120.0 . .
C37" C36" C35" 120.0 . .
C37" C36" H36" 120.0 . .
C35" C36" H36" 120.0 . .
C36" C37" C38" 120.0 . .
C36" C37" H37" 120.0 . .
C38" C37" H37" 120.0 . .
C39" C38" C37" 120.0 . .
C39" C38" H38" 120.0 . .
C37" C38" H38" 120.0 . .
C38" C39" C34" 120.0 . .
C38" C39" H39" 120.0 . .
C34" C39" H39" 120.0 . .
O3 N1 O4 115.8(13) . .
O3 N1 O2 121.4(12) . .
O4 N1 O2 122.6(13) . .
C42 C40 C41 124.2(18) 2_757 .
C42 C40 H40 117.9 2_757 .
C41 C40 H40 117.9 . .
C42 C41 C43 113(3) . .
C42 C41 C40 116(2) . .
C43 C41 C40 131(3) . .
C41 C42 C40 120(2) . 2_757
C41 C42 H42 120.1 . .
C40 C42 H42 120.1 2_757 .
C41 C43 H43A 109.5 . .
C41 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C41 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C35' 2.211(13) .
Au1 P1 2.350(4) .
Au1 Au2 2.7830(12) .
O1P P1 1.454(9) .
Au2 P2 2.311(3) .
Au2 P2' 2.316(3) .
Au2 Au3 2.8504(8) .
Au3 C35 2.178(8) .
Au3 P1' 2.327(4) .
O1P' P1' 1.48(3) .
P1 C22B 1.65(2) .
P1 C16 1.813(11) .
P1 C1 1.845(12) .
P1 C22A 1.871(12) .
P2 C28 1.767(14) .
P2 C34 1.776(8) .
P2 C11 1.794(11) .
P1' C22' 1.778(12) .
P1' C16' 1.829(12) .
P1' C1' 1.830(15) .
P2' C34" 1.743(16) .
P2' C28' 1.809(7) .
P2' C11' 1.819(12) .
P2' C34' 1.839(13) .
C1 C13 1.397(15) .
C1 C2 1.407(17) .
C2 C3 1.379(16) .
C2 H2 0.9500 .
C3 C4 1.352(15) .
C3 H3 0.9500 .
C4 C5 1.370(17) .
C4 H4 0.9500 .
C5 C13 1.387(15) .
C5 C6 1.541(15) .
C6 C7 1.488(17) .
C6 C15 1.512(16) .
C6 C14 1.535(17) .
C7 C8 1.414(16) .
C7 C12 1.417(14) .
C8 C9 1.362(17) .
C8 H8 0.9500 .
C9 C10 1.410(15) .
C9 H9 0.9500 .
C10 C11 1.394(15) .
C10 H10 0.9500 .
C11 C12 1.368(16) .
C12 O1 1.438(12) .
C13 O1 1.368(14) .
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 1.388(16) .
C16 C17 1.409(15) .
C17 C18 1.418(16) .
C17 H17 0.9500 .
C18 C19 1.349(17) .
C18 H18 0.9500 .
C19 C20 1.341(16) .
C19 H19 0.9500 .
C20 C21 1.391(15) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22A C23A 1.3900 .
C22A C27A 1.3900 .
C23A C24A 1.3900 .
C23A H23 0.9500 .
C24A C25A 1.3900 .
C24A H24 0.9500 .
C25A C26A 1.3900 .
C25A H25 0.9500 .
C26A C27A 1.3900 .
C26A H26 0.9500 .
C27A H27 0.9500 .
C22B C23B 1.3900 .
C22B C27B 1.3900 .
C23B C24B 1.3900 .
C23B H23B 0.9500 .
C24B C25B 1.3900 .
C24B H24B 0.9500 .
C25B C26B 1.3900 .
C25B H25B 0.9500 .
C26B C27B 1.3900 .
C26B H26B 0.9500 .
C27B H27B 0.9500 .
C28 C33 1.392(16) .
C28 C29 1.411(15) .
C29 C30 1.386(16) .
C29 H29 0.9500 .
C30 C31 1.405(17) .
C30 H30 0.9500 .
C31 C32 1.401(16) .
C31 H31 0.9500 .
C32 C33 1.394(16) .
C32 H32A 0.9500 .
C33 H33 0.9500 .
C34 C35 1.3900 .
C34 C39 1.3900 .
C35 C36 1.3900 .
C35 H35 0.9274 .
C36 C37 1.3900 .
C36 H36 0.9500 .
C37 C38 1.3900 .
C37 H37 0.9500 .
C38 C39 1.3900 .
C38 H38 0.9500 .
C39 H39 0.9500 .
C1' C2' 1.360(16) .
C1' C13' 1.463(16) .
C2' C3' 1.372(17) .
C2' H2' 0.9500 .
C3' C4' 1.393(15) .
C3' H3' 0.9500 .
C4' C5' 1.338(15) .
C4' H4' 0.9500 .
C5' C13' 1.372(17) .
C5' C6' 1.506(16) .
C6' C14' 1.523(17) .
C6' C7' 1.531(15) .
C6' C15' 1.632(17) .
C7' C8' 1.339(14) .
C7' C12' 1.346(15) .
C8' C9' 1.372(16) .
C8' H8' 0.9500 .
C9' C10' 1.377(17) .
C9' H9' 0.9500 .
C10' C11' 1.397(13) .
C10' H10' 0.9500 .
C11' C12' 1.373(14) .
C12' O1' 1.407(12) .
C13' O1' 1.398(12) .
C14' H14D 0.9800 .
C14' H14E 0.9800 .
C14' H14F 0.9800 .
C15' H15D 0.9800 .
C15' H15E 0.9800 .
C15' H15F 0.9800 .
C16' C21' 1.322(16) .
C16' C17' 1.424(16) .
C17' C18' 1.406(14) .
C17' H17' 0.9500 .
C18' C19' 1.357(18) .
C18' H18' 0.9500 .
C19' C20' 1.379(18) .
C19' H19' 0.9500 .
C20' C21' 1.405(15) .
C20' H20' 0.9500 .
C21' H21' 0.9500 .
C22' C27' 1.392(16) .
C22' C23' 1.420(16) .
C23' C24' 1.416(17) .
C23' H23' 0.9500 .
C24' C25' 1.381(18) .
C24' H24' 0.9500 .
C25' C26' 1.360(18) .
C25' H25' 0.9500 .
C26' C27' 1.371(16) .
C26' H26' 0.9500 .
C27' H27' 0.9500 .
C28' C29' 1.3900 .
C28' C33' 1.3900 .
C29' C30' 1.3900 .
C29' H29' 0.9500 .
C30' C31' 1.3900 .
C30' H30' 0.9500 .
C31' C32' 1.3900 .
C31' H31' 0.9500 .
C32' C33' 1.3900 .
C32' H32' 0.9500 .
C33' H33' 0.9500 .
C34' C35' 1.3900 .
C34' C39' 1.3900 .
C35' C36' 1.3900 .
C36' C37' 1.3900 .
C36' H36' 0.9500 .
C37' C38' 1.3900 .
C37' H37' 0.9500 .
C38' C39' 1.3900 .
C38' H38' 0.9500 .
C39' H39' 0.9500 .
C34" C35" 1.3900 .
C34" C39" 1.3900 .
C35" C36" 1.3900 .
C35" H35" 0.9500 .
C36" C37" 1.3900 .
C36" H36" 0.9500 .
C37" C38" 1.3900 .
C37" H37" 0.9500 .
C38" C39" 1.3900 .
C38" H38" 0.9500 .
C39" H39" 0.9500 .
N1 O3 1.216(13) .
N1 O4 1.222(12) .
N1 O2 1.233(13) .
C40 C42 1.37(2) 2_757
C40 C41 1.44(2) .
C40 H40 0.9500 .
C41 C42 1.31(2) .
C41 C43 1.407(17) .
C42 C40 1.37(2) 2_757
C42 H42 0.9500 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
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_4
O1P P1 C1 C13 71.1(14) . .
C22B P1 C1 C13 -60.9(17) . .
C16 P1 C1 C13 -174.1(11) . .
C22A P1 C1 C13 -70.0(13) . .
Au1 P1 C1 C13 59.9(14) . .
O1P P1 C1 C2 -116.0(13) . .
C22B P1 C1 C2 111.9(16) . .
C16 P1 C1 C2 -1.2(13) . .
C22A P1 C1 C2 102.9(12) . .
Au1 P1 C1 C2 -127.3(10) . .
C13 C1 C2 C3 3(2) . .
P1 C1 C2 C3 -170.4(10) . .
C1 C2 C3 C4 1(2) . .
C2 C3 C4 C5 -5(2) . .
C3 C4 C5 C13 4(2) . .
C3 C4 C5 C6 172.4(13) . .
C4 C5 C6 C7 157.9(13) . .
C13 C5 C6 C7 -33.6(16) . .
C4 C5 C6 C15 37.0(18) . .
C13 C5 C6 C15 -154.5(12) . .
C4 C5 C6 C14 -86.1(16) . .
C13 C5 C6 C14 82.5(14) . .
C15 C6 C7 C8 -36.1(17) . .
C14 C6 C7 C8 86.3(14) . .
C5 C6 C7 C8 -156.3(11) . .
C15 C6 C7 C12 151.3(11) . .
C14 C6 C7 C12 -86.3(13) . .
C5 C6 C7 C12 31.1(16) . .
C12 C7 C8 C9 0.3(18) . .
C6 C7 C8 C9 -172.9(12) . .
C7 C8 C9 C10 -2.3(19) . .
C8 C9 C10 C11 2.3(19) . .
C9 C10 C11 C12 -0.4(18) . .
C9 C10 C11 P2 -176.4(9) . .
C28 P2 C11 C12 70.2(11) . .
C34 P2 C11 C12 -177.5(10) . .
Au2 P2 C11 C12 -61.3(11) . .
C28 P2 C11 C10 -114.0(10) . .
C34 P2 C11 C10 -1.8(11) . .
Au2 P2 C11 C10 114.5(9) . .
C10 C11 C12 C7 -1.8(18) . .
P2 C11 C12 C7 174.1(9) . .
C10 C11 C12 O1 179.6(10) . .
P2 C11 C12 O1 -4.6(15) . .
C8 C7 C12 C11 1.8(17) . .
C6 C7 C12 C11 175.1(12) . .
C8 C7 C12 O1 -179.6(10) . .
C6 C7 C12 O1 -6.3(17) . .
C4 C5 C13 O1 -179.2(12) . .
C6 C5 C13 O1 11.7(19) . .
C4 C5 C13 C1 0.9(19) . .
C6 C5 C13 C1 -168.3(12) . .
C2 C1 C13 O1 176.1(11) . .
P1 C1 C13 O1 -10.8(17) . .
C2 C1 C13 C5 -3.9(19) . .
P1 C1 C13 C5 169.2(10) . .
C5 C13 O1 C12 17.3(17) . .
C1 C13 O1 C12 -162.7(10) . .
C11 C12 O1 C13 158.6(11) . .
C7 C12 O1 C13 -20.1(15) . .
O1P P1 C16 C21 -172.4(13) . .
C22B P1 C16 C21 -34.5(16) . .
C1 P1 C16 C21 75.7(13) . .
C22A P1 C16 C21 -32.0(13) . .
Au1 P1 C16 C21 -140.7(11) . .
O1P P1 C16 C17 10.6(14) . .
C22B P1 C16 C17 148.6(14) . .
C1 P1 C16 C17 -101.2(10) . .
C22A P1 C16 C17 151.1(10) . .
Au1 P1 C16 C17 42.3(10) . .
C21 C16 C17 C18 0.4(19) . .
P1 C16 C17 C18 177.5(10) . .
C16 C17 C18 C19 0(2) . .
C17 C18 C19 C20 0(2) . .
C18 C19 C20 C21 -1(2) . .
C17 C16 C21 C20 -1.3(19) . .
P1 C16 C21 C20 -178.2(9) . .
C19 C20 C21 C16 1.4(19) . .
C16 P1 C22A C23A -76.8(11) . .
C1 P1 C22A C23A 174.3(9) . .
Au1 P1 C22A C23A 29.2(11) . .
C16 P1 C22A C27A 92.3(8) . .
C1 P1 C22A C27A -16.6(9) . .
Au1 P1 C22A C27A -161.7(7) . .
C27A C22A C23A C24A 0.0 . .
P1 C22A C23A C24A 168.9(12) . .
C22A C23A C24A C25A 0.0 . .
C23A C24A C25A C26A 0.0 . .
C24A C25A C26A C27A 0.0 . .
C25A C26A C27A C22A 0.0 . .
C23A C22A C27A C26A 0.0 . .
P1 C22A C27A C26A -169.2(12) . .
O1P P1 C22B C23B 51.9(19) . .
C16 P1 C22B C23B -77.6(15) . .
C1 P1 C22B C23B 170.8(12) . .
O1P P1 C22B C27B -150.8(14) . .
C16 P1 C22B C27B 79.7(17) . .
C1 P1 C22B C27B -31.9(18) . .
C27B C22B C23B C24B 0.0 . .
P1 C22B C23B C24B 159(2) . .
C22B C23B C24B C25B 0.0 . .
C23B C24B C25B C26B 0.0 . .
C24B C25B C26B C27B 0.0 . .
C25B C26B C27B C22B 0.0 . .
C23B C22B C27B C26B 0.0 . .
P1 C22B C27B C26B -155(2) . .
C34 P2 C28 C33 -106.9(12) . .
C11 P2 C28 C33 4.8(13) . .
Au2 P2 C28 C33 139.1(10) . .
C34 P2 C28 C29 69.3(10) . .
C11 P2 C28 C29 -179.0(10) . .
Au2 P2 C28 C29 -44.7(11) . .
C33 C28 C29 C30 -2.2(19) . .
P2 C28 C29 C30 -178.8(10) . .
C28 C29 C30 C31 1(2) . .
C29 C30 C31 C32 -1(2) . .
C30 C31 C32 C33 2(2) . .
C29 C28 C33 C32 3.2(19) . .
P2 C28 C33 C32 179.6(10) . .
C31 C32 C33 C28 -3(2) . .
C28 P2 C34 C35 -167.9(5) . .
C11 P2 C34 C35 79.3(6) . .
Au2 P2 C34 C35 -47.0(4) . .
C28 P2 C34 C39 12.1(7) . .
C11 P2 C34 C39 -100.7(6) . .
Au2 P2 C34 C39 133.0(5) . .
C39 C34 C35 C36 0.0 . .
P2 C34 C35 C36 180.0(6) . .
C39 C34 C35 Au3 174.7(6) . .
P2 C34 C35 Au3 -5.3(5) . .
C34 C35 C36 C37 0.0 . .
Au3 C35 C36 C37 -174.5(6) . .
C35 C36 C37 C38 0.0 . .
C36 C37 C38 C39 0.0 . .
C37 C38 C39 C34 0.0 . .
C35 C34 C39 C38 0.0 . .
P2 C34 C39 C38 -180.0(7) . .
O1P' P1' C1' C2' -95(2) . .
C22' P1' C1' C2' 124.3(11) . .
C16' P1' C1' C2' 16.5(12) . .
Au3 P1' C1' C2' -104.5(11) . .
O1P' P1' C1' C13' 94(2) . .
C22' P1' C1' C13' -46.7(11) . .
C16' P1' C1' C13' -154.5(10) . .
Au3 P1' C1' C13' 84.5(11) . .
C13' C1' C2' C3' 0.6(19) . .
P1' C1' C2' C3' -171.1(10) . .
C1' C2' C3' C4' 7(2) . .
C2' C3' C4' C5' -8(2) . .
C3' C4' C5' C13' 2(2) . .
C3' C4' C5' C6' 168.3(13) . .
C4' C5' C6' C14' 30.9(19) . .
C13' C5' C6' C14' -162.3(12) . .
C4' C5' C6' C7' 155.9(13) . .
C13' C5' C6' C7' -37.3(16) . .
C4' C5' C6' C15' -87.4(16) . .
C13' C5' C6' C15' 79.5(14) . .
C5' C6' C7' C8' -154.6(12) . .
C14' C6' C7' C8' -29.4(17) . .
C15' C6' C7' C8' 88.1(14) . .
C5' C6' C7' C12' 25.5(16) . .
C14' C6' C7' C12' 150.8(12) . .
C15' C6' C7' C12' -91.7(13) . .
C12' C7' C8' C9' -1.9(19) . .
C6' C7' C8' C9' 178.3(12) . .
C7' C8' C9' C10' -2(2) . .
C8' C9' C10' C11' 2.5(19) . .
C9' C10' C11' C12' 0.7(18) . .
C9' C10' C11' P2' -170.8(10) . .
C34" P2' C11' C12' -153.0(13) . .
C28' P2' C11' C12' 90.2(10) . .
C34' P2' C11' C12' -156.3(11) . .
Au2 P2' C11' C12' -41.1(11) . .
C34" P2' C11' C10' 18.5(14) . .
C28' P2' C11' C10' -98.3(10) . .
C34' P2' C11' C10' 15.2(12) . .
Au2 P2' C11' C10' 130.4(9) . .
C8' C7' C12' C11' 5.2(19) . .
C6' C7' C12' C11' -175.0(11) . .
C8' C7' C12' O1' -172.5(11) . .
C6' C7' C12' O1' 7.3(18) . .
C10' C11' C12' C7' -4.7(19) . .
P2' C11' C12' C7' 166.7(10) . .
C10' C11' C12' O1' 173.2(10) . .
P2' C11' C12' O1' -15.5(15) . .
C4' C5' C13' O1' -174.0(11) . .
C6' C5' C13' O1' 18.2(19) . .
C4' C5' C13' C1' 6(2) . .
C6' C5' C13' C1' -161.5(12) . .
C2' C1' C13' C5' -7.5(19) . .
P1' C1' C13' C5' 164.1(11) . .
C2' C1' C13' O1' 172.8(10) . .
P1' C1' C13' O1' -15.6(15) . .
C5' C13' O1' C12' 15.7(16) . .
C1' C13' O1' C12' -164.6(10) . .
C7' C12' O1' C13' -29.2(16) . .
C11' C12' O1' C13' 153.0(10) . .
O1P' P1' C16' C21' -176(3) . .
C22' P1' C16' C21' -18.7(15) . .
C1' P1' C16' C21' 88.1(14) . .
Au3 P1' C16' C21' -141.9(13) . .
O1P' P1' C16' C17' 8(3) . .
C22' P1' C16' C17' 165.1(10) . .
C1' P1' C16' C17' -88.1(10) . .
Au3 P1' C16' C17' 41.9(11) . .
C21' C16' C17' C18' -1(2) . .
P1' C16' C17' C18' 175.5(10) . .
C16' C17' C18' C19' 0(2) . .
C17' C18' C19' C20' 0(2) . .
C18' C19' C20' C21' 2(2) . .
C17' C16' C21' C20' 3(2) . .
P1' C16' C21' C20' -173.1(12) . .
C19' C20' C21' C16' -4(3) . .
O1P' P1' C22' C27' -136(4) . .
C16' P1' C22' C27' 76.8(11) . .
C1' P1' C22' C27' -28.8(11) . .
Au3 P1' C22' C27' -164.2(9) . .
O1P' P1' C22' C23' 49(4) . .
C16' P1' C22' C23' -98.4(10) . .
C1' P1' C22' C23' 156.0(9) . .
Au3 P1' C22' C23' 20.6(10) . .
C27' C22' C23' C24' 0.4(17) . .
P1' C22' C23' C24' 176.0(9) . .
C22' C23' C24' C25' 2.2(19) . .
C23' C24' C25' C26' -3(2) . .
C24' C25' C26' C27' 1(2) . .
C25' C26' C27' C22' 1.8(19) . .
C23' C22' C27' C26' -2.4(17) . .
P1' C22' C27' C26' -177.6(9) . .
C34" P2' C28' C29' -93.3(10) . .
C11' P2' C28' C29' 24.6(6) . .
C34' P2' C28' C29' -83.8(8) . .
Au2 P2' C28' C29' 155.9(3) . .
C34" P2' C28' C33' 83.1(10) . .
C11' P2' C28' C33' -159.0(5) . .
C34' P2' C28' C33' 92.6(8) . .
Au2 P2' C28' C33' -27.7(5) . .
C33' C28' C29' C30' 0.0 . .
P2' C28' C29' C30' 176.4(6) . .
C28' C29' C30' C31' 0.0 . .
C29' C30' C31' C32' 0.0 . .
C30' C31' C32' C33' 0.0 . .
C31' C32' C33' C28' 0.0 . .
C29' C28' C33' C32' 0.0 . .
P2' C28' C33' C32' -176.4(6) . .
C28' P2' C34' C35' -166.5(8) . .
C11' P2' C34' C35' 81.5(9) . .
Au2 P2' C34' C35' -40.5(9) . .
C28' P2' C34' C39' 10.6(13) . .
C11' P2' C34' C39' -101.3(11) . .
Au2 P2' C34' C39' 136.7(9) . .
C39' C34' C35' C36' 0.0 . .
P2' C34' C35' C36' 177.3(13) . .
C39' C34' C35' Au1 178.4(13) . .
P2' C34' C35' Au1 -4.3(11) . .
C34' C35' C36' C37' 0.0 . .
Au1 C35' C36' C37' -178.3(14) . .
C35' C36' C37' C38' 0.0 . .
C36' C37' C38' C39' 0.0 . .
C37' C38' C39' C34' 0.0 . .
C35' C34' C39' C38' 0.0 . .
P2' C34' C39' C38' -177.1(14) . .
C28' P2' C34" C35" -171.0(10) . .
C11' P2' C34" C35" 73.3(13) . .
Au2 P2' C34" C35" -49.2(12) . .
C28' P2' C34" C39" 9.0(16) . .
C11' P2' C34" C39" -106.8(14) . .
Au2 P2' C34" C39" 130.8(13) . .
C39" C34" C35" C36" 0.0 . .
P2' C34" C35" C36" 179.9(18) . .
C34" C35" C36" C37" 0.0 . .
C35" C36" C37" C38" 0.0 . .
C36" C37" C38" C39" 0.0 . .
C37" C38" C39" C34" 0.0 . .
C35" C34" C39" C38" 0.0 . .
P2' C34" C39" C38" -179.9(19) . .
C42 C40 C41 C42 0(3) 2_757 .
C42 C40 C41 C43 -175.5(19) 2_757 .
C43 C41 C42 C40 176.3(16) . 2_757
C40 C41 C42 C40 0(2) . 2_757
