# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Dr Heinrich Lang'
_publ_contact_author_email       heinrich.lang@chemie.tu-chemnitz.de

_publ_section_title              
;
Gold Nanoparticles Generated by
Thermolysis of "All-in-One" Gold(I) Carboxylate Complexes
;
_publ_author_name                'Heinrich Lang'

# Attachment '- compound_6a.cif'

data_exp_033
_database_code_depnum_ccdc_archive 'CCDC 815759'
#TrackingRef '- compound_6a.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H20 Au O3 P'
_chemical_formula_sum            'C21 H20 Au O3 P'
_chemical_formula_weight         548.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   7.1087(3)
_cell_length_b                   11.0927(4)
_cell_length_c                   11.9697(5)
_cell_angle_alpha                91.716(3)
_cell_angle_beta                 98.636(3)
_cell_angle_gamma                91.676(3)
_cell_volume                     932.20(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    100
_cell_measurement_reflns_used    8602
_cell_measurement_theta_min      3.7314
_cell_measurement_theta_max      61.9901

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.953
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             528
_exptl_absorpt_coefficient_mu    15.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.51030
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Gemini S'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         2
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  10
_diffrn_standards_decay_%        0
_diffrn_reflns_number            8014
_diffrn_reflns_av_R_equivalents  0.0189
_diffrn_reflns_av_sigmaI/netI    0.0166
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.99
_diffrn_reflns_theta_max         62.18
_reflns_number_total             2931
_reflns_number_gt                2914
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_cell_refinement       
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_data_reduction        
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger. A number of DELU, SIMU, ISOR
and EADP instructions have been used in order to refine respective atoms
anisotropically. They were used as following:
DELU 0.010 0.010 C10 C11 C15 C16 C17 C21 O1 P1 AU1
SIMU 0.040 0.080 1.700 C10 C11 C15 C16 C17 C21 O1 P1 AU1
ISOR 0.100 C10 C11 C15 C16 C17 C21 O1 P1 AU1
EADP O1 P1
DELU 0.010 0.010 C1 C2 O1 O2 O3 AU1
SIMU 0.040 0.080 1.700 C1 C2 O1 O2 O3 AU1
ISOR 0.100 C1 C2 O1 O2 O3 AU1
EADP C1 C3
EADP C4 C19
EADP C6 C11
EADP C7 C13
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0498P)^2^+3.2559P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00131(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         2931
_refine_ls_number_parameters     170
_refine_ls_number_restraints     165
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0277
_refine_ls_wR_factor_ref         0.0727
_refine_ls_wR_factor_gt          0.0726
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.1143(7) 0.3157(5) -0.1505(4) 0.0172(7) Uani 1 1 d U . .
C2 C -0.2472(7) 0.3869(5) -0.2331(4) 0.0158(10) Uani 1 1 d U . .
H2A H -0.3742 0.3807 -0.2129 0.019 Uiso 1 1 calc R . .
H2B H -0.2062 0.4713 -0.2251 0.019 Uiso 1 1 calc R . .
C3 C -0.3706(7) 0.2421(5) -0.3733(5) 0.0172(7) Uani 1 1 d . . .
H3A H -0.3730 0.2187 -0.4514 0.026 Uiso 1 1 calc R . .
H3B H -0.4978 0.2564 -0.3595 0.026 Uiso 1 1 calc R . .
H3C H -0.3183 0.1788 -0.3265 0.026 Uiso 1 1 calc R . .
C4 C 0.4418(4) 0.0962(2) 0.1752(3) 0.0122(7) Uani 1 1 d G . .
C5 C 0.3382(3) -0.0010(3) 0.1179(3) 0.0111(9) Uani 1 1 d G . .
H5 H 0.2083 0.0047 0.0938 0.013 Uiso 1 1 calc R . .
C6 C 0.4289(4) -0.1068(2) 0.0967(2) 0.0138(7) Uani 1 1 d G . .
H6 H 0.3596 -0.1718 0.0584 0.017 Uiso 1 1 calc R . .
C7 C 0.6231(4) -0.1154(2) 0.1328(3) 0.0168(8) Uani 1 1 d G . .
H7 H 0.6837 -0.1861 0.1186 0.020 Uiso 1 1 calc R . .
C8 C 0.7266(3) -0.0182(3) 0.1901(3) 0.0173(11) Uani 1 1 d G . .
H8 H 0.8565 -0.0239 0.2142 0.021 Uiso 1 1 calc R . .
C9 C 0.6359(4) 0.0876(2) 0.2113(2) 0.0128(10) Uani 1 1 d G . .
H9 H 0.7052 0.1527 0.2496 0.015 Uiso 1 1 calc R . .
C10 C 0.2220(4) 0.2006(3) 0.33705(19) 0.0079(9) Uani 1 1 d GU . .
C11 C 0.2840(4) 0.1061(2) 0.4054(2) 0.0138(7) Uani 1 1 d GU . .
H11 H 0.3714 0.0531 0.3831 0.017 Uiso 1 1 calc R . .
C12 C 0.2155(5) 0.0909(2) 0.5070(2) 0.0169(11) Uani 1 1 d G . .
H12 H 0.2570 0.0277 0.5527 0.020 Uiso 1 1 calc R . .
C13 C 0.0849(5) 0.1702(3) 0.5404(2) 0.0168(8) Uani 1 1 d G . .
H13 H 0.0391 0.1600 0.6084 0.020 Uiso 1 1 calc R . .
C14 C 0.0229(4) 0.2647(2) 0.4720(2) 0.0145(10) Uani 1 1 d G . .
H14 H -0.0644 0.3178 0.4944 0.017 Uiso 1 1 calc R . .
C15 C 0.0915(4) 0.2799(2) 0.3704(2) 0.0124(9) Uani 1 1 d GU . .
H15 H 0.0500 0.3432 0.3247 0.015 Uiso 1 1 calc R . .
C16 C 0.5001(4) 0.3486(2) 0.2409(2) 0.0088(9) Uani 1 1 d GU . .
C17 C 0.5492(4) 0.3981(3) 0.34979(19) 0.0115(9) Uani 1 1 d GU . .
H17 H 0.4909 0.3686 0.4085 0.014 Uiso 1 1 calc R . .
C18 C 0.6853(4) 0.4917(3) 0.37100(18) 0.0130(10) Uani 1 1 d G . .
H18 H 0.7182 0.5249 0.4439 0.016 Uiso 1 1 calc R . .
C19 C 0.7724(4) 0.5358(2) 0.2833(2) 0.0122(7) Uani 1 1 d G . .
H19 H 0.8635 0.5985 0.2975 0.015 Uiso 1 1 calc R . .
C20 C 0.7233(4) 0.4863(3) 0.1744(2) 0.0148(10) Uani 1 1 d G . .
H20 H 0.7816 0.5158 0.1158 0.018 Uiso 1 1 calc R . .
C21 C 0.5871(4) 0.3926(3) 0.15321(17) 0.0113(9) Uani 1 1 d GU . .
H21 H 0.5543 0.3595 0.0804 0.014 Uiso 1 1 calc R . .
O1 O -0.1143(4) 0.3545(3) -0.0512(3) 0.0067(2) Uani 1 1 d U . .
O2 O -0.0195(5) 0.2339(3) -0.1823(3) 0.0187(8) Uani 1 1 d U . .
O3 O -0.2564(5) 0.3491(3) -0.3476(3) 0.0179(8) Uani 1 1 d U . .
P1 P 0.31605(16) 0.22999(10) 0.20663(9) 0.0067(2) Uani 1 1 d U . .
Au1 Au 0.09245(2) 0.285939(14) 0.070636(13) 0.00783(12) Uani 1 1 d U . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0146(18) 0.0176(18) 0.0194(18) 0.0071(14) 0.0024(14) -0.0062(14)
C2 0.019(3) 0.020(3) 0.009(2) 0.0054(19) 0.0035(19) 0.004(2)
C3 0.0146(18) 0.0176(18) 0.0194(18) 0.0071(14) 0.0024(14) -0.0062(14)
C4 0.0148(17) 0.0133(16) 0.0101(16) 0.0053(13) 0.0059(13) -0.0014(13)
C5 0.015(2) 0.011(2) 0.008(2) 0.0026(18) 0.0070(19) -0.0068(18)
C6 0.0225(19) 0.0134(16) 0.0076(16) 0.0037(13) 0.0093(14) -0.0037(14)
C7 0.027(2) 0.0166(17) 0.0094(17) 0.0066(14) 0.0110(15) -0.0011(15)
C8 0.020(3) 0.026(3) 0.008(2) 0.007(2) 0.007(2) 0.006(2)
C9 0.018(3) 0.016(2) 0.005(2) 0.0032(18) 0.0032(19) 0.0011(19)
C10 0.008(2) 0.011(2) 0.004(2) 0.0017(17) 0.0009(17) -0.0058(17)
C11 0.0225(19) 0.0134(16) 0.0076(16) 0.0037(13) 0.0093(14) -0.0037(14)
C12 0.021(3) 0.019(3) 0.012(2) 0.011(2) 0.004(2) -0.002(2)
C13 0.027(2) 0.0166(17) 0.0094(17) 0.0066(14) 0.0110(15) -0.0011(15)
C14 0.013(2) 0.020(3) 0.011(2) 0.0001(19) 0.0040(19) -0.003(2)
C15 0.014(2) 0.013(2) 0.010(2) 0.0039(18) 0.0026(19) -0.0030(18)
C16 0.009(2) 0.008(2) 0.009(2) 0.0031(17) 0.0005(17) -0.0008(17)
C17 0.013(2) 0.015(2) 0.007(2) 0.0073(18) 0.0028(18) -0.0016(19)
C18 0.013(2) 0.016(2) 0.009(2) -0.0020(19) 0.0014(19) -0.0019(19)
C19 0.0148(17) 0.0133(16) 0.0101(16) 0.0053(13) 0.0059(13) -0.0014(13)
C20 0.018(3) 0.015(2) 0.014(2) 0.0036(19) 0.009(2) -0.0042(19)
C21 0.013(2) 0.014(2) 0.008(2) 0.0023(18) 0.0060(18) -0.0024(18)
O1 0.0087(6) 0.0089(5) 0.0027(5) 0.0039(4) 0.0012(4) -0.0019(4)
O2 0.0200(19) 0.0236(19) 0.0140(18) 0.0034(14) 0.0059(15) 0.0058(15)
O3 0.0191(19) 0.0259(19) 0.0092(17) 0.0048(14) 0.0031(14) -0.0014(15)
P1 0.0087(6) 0.0089(5) 0.0027(5) 0.0039(4) 0.0012(4) -0.0019(4)
Au1 0.00975(16) 0.01119(16) 0.00241(15) 0.00351(8) 0.00027(8) -0.00181(8)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O2 1.231(7) . ?
C1 O1 1.252(6) . ?
C1 C2 1.519(7) . ?
C2 O3 1.412(6) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 O3 1.417(6) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.3900 . ?
C4 C9 1.3900 . ?
C4 P1 1.813(2) . ?
C5 C6 1.3900 . ?
C5 H5 0.9300 . ?
C6 C7 1.3900 . ?
C6 H6 0.9300 . ?
C7 C8 1.3900 . ?
C7 H7 0.9300 . ?
C8 C9 1.3900 . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.3900 . ?
C10 C15 1.3900 . ?
C10 P1 1.822(2) . ?
C11 C12 1.3900 . ?
C11 H11 0.9300 . ?
C12 C13 1.3900 . ?
C12 H12 0.9300 . ?
C13 C14 1.3900 . ?
C13 H13 0.9300 . ?
C14 C15 1.3900 . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.3900 . ?
C16 C21 1.3900 . ?
C16 P1 1.821(2) . ?
C17 C18 1.3900 . ?
C17 H17 0.9300 . ?
C18 C19 1.3900 . ?
C18 H18 0.9300 . ?
C19 C20 1.3900 . ?
C19 H19 0.9300 . ?
C20 C21 1.3900 . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
O1 Au1 2.087(3) . ?
P1 Au1 2.2142(11) . ?

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
O2 C1 O1 127.4(5) . . ?
O2 C1 C2 122.0(5) . . ?
O1 C1 C2 110.6(4) . . ?
O3 C2 C1 114.5(4) . . ?
O3 C2 H2A 108.6 . . ?
C1 C2 H2A 108.6 . . ?
O3 C2 H2B 108.6 . . ?
C1 C2 H2B 108.6 . . ?
H2A C2 H2B 107.6 . . ?
O3 C3 H3A 109.5 . . ?
O3 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
O3 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C9 120.0 . . ?
C5 C4 P1 118.56(16) . . ?
C9 C4 P1 121.39(16) . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C7 120.0 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C8 C7 C6 120.0 . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C4 120.0 . . ?
C8 C9 H9 120.0 . . ?
C4 C9 H9 120.0 . . ?
C11 C10 C15 120.0 . . ?
C11 C10 P1 122.01(16) . . ?
C15 C10 P1 117.91(15) . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C10 120.0 . . ?
C14 C15 H15 120.0 . . ?
C10 C15 H15 120.0 . . ?
C17 C16 C21 120.0 . . ?
C17 C16 P1 122.08(15) . . ?
C21 C16 P1 117.87(15) . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C19 120.0 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C16 120.0 . . ?
C20 C21 H21 120.0 . . ?
C16 C21 H21 120.0 . . ?
C1 O1 Au1 115.7(3) . . ?
C2 O3 C3 111.7(4) . . ?
C4 P1 C16 105.15(14) . . ?
C4 P1 C10 105.88(14) . . ?
C16 P1 C10 106.58(14) . . ?
C4 P1 Au1 115.85(11) . . ?
C16 P1 Au1 110.61(11) . . ?
C10 P1 Au1 112.12(11) . . ?
O1 Au1 P1 174.81(9) . . ?

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
O2 C1 C2 O3 1.8(7) . . . . ?
O1 C1 C2 O3 -179.9(4) . . . . ?
C9 C4 C5 C6 0.0 . . . . ?
P1 C4 C5 C6 -177.3(2) . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 C6 C7 C8 0.0 . . . . ?
C6 C7 C8 C9 0.0 . . . . ?
C7 C8 C9 C4 0.0 . . . . ?
C5 C4 C9 C8 0.0 . . . . ?
P1 C4 C9 C8 177.2(2) . . . . ?
C15 C10 C11 C12 0.0 . . . . ?
P1 C10 C11 C12 176.7(2) . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C10 0.0 . . . . ?
C11 C10 C15 C14 0.0 . . . . ?
P1 C10 C15 C14 -176.8(2) . . . . ?
C21 C16 C17 C18 0.0 . . . . ?
P1 C16 C17 C18 -177.5(2) . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C16 0.0 . . . . ?
C17 C16 C21 C20 0.0 . . . . ?
P1 C16 C21 C20 177.6(2) . . . . ?
O2 C1 O1 Au1 7.7(7) . . . . ?
C2 C1 O1 Au1 -170.5(3) . . . . ?
C1 C2 O3 C3 77.3(5) . . . . ?
C5 C4 P1 C16 -163.38(16) . . . . ?
C9 C4 P1 C16 19.4(2) . . . . ?
C5 C4 P1 C10 84.0(2) . . . . ?
C9 C4 P1 C10 -93.2(2) . . . . ?
C5 C4 P1 Au1 -40.94(19) . . . . ?
C9 C4 P1 Au1 141.84(14) . . . . ?
C17 C16 P1 C4 -110.9(2) . . . . ?
C21 C16 P1 C4 71.6(2) . . . . ?
C17 C16 P1 C10 1.2(2) . . . . ?
C21 C16 P1 C10 -176.31(17) . . . . ?
C17 C16 P1 Au1 123.35(16) . . . . ?
C21 C16 P1 Au1 -54.18(19) . . . . ?
C11 C10 P1 C4 14.1(2) . . . . ?
C15 C10 P1 C4 -169.12(17) . . . . ?
C11 C10 P1 C16 -97.5(2) . . . . ?
C15 C10 P1 C16 79.3(2) . . . . ?
C11 C10 P1 Au1 141.35(15) . . . . ?
C15 C10 P1 Au1 -41.89(19) . . . . ?
C1 O1 Au1 P1 137.7(8) . . . . ?
C4 P1 Au1 O1 -154.3(9) . . . . ?
C16 P1 Au1 O1 -34.8(9) . . . . ?
C10 P1 Au1 O1 84.0(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        62.18
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.584
_refine_diff_density_min         -1.097
_refine_diff_density_rms         0.162

# Attachment '- compound_6b.cif'

data_exp_040
_database_code_depnum_ccdc_archive 'CCDC 815760'
#TrackingRef '- compound_6b.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H24 Au O4 P'
_chemical_formula_sum            'C23 H24 Au O4 P'
_chemical_formula_weight         592.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   8.9363(2)
_cell_length_b                   24.5432(6)
_cell_length_c                   9.8595(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.335(2)
_cell_angle_gamma                90.00
_cell_volume                     2160.64(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100
_cell_measurement_reflns_used    6064
_cell_measurement_theta_min      4.8410
_cell_measurement_theta_max      66.7071

_exptl_crystal_description       cube
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.821
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1152
_exptl_absorpt_coefficient_mu    13.714
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.50601
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Gemini S'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         2
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  10
_diffrn_standards_decay_%        0
_diffrn_reflns_number            8041
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         4.84
_diffrn_reflns_theta_max         61.99
_reflns_number_total             3306
_reflns_number_gt                2963
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_cell_refinement       
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_data_reduction        
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
For the refinement of disordered atoms (C2, C3 and O3) a number of restraints
have been used to fix the atoms in reasonable distances. Furthermore, for
the anisotropic refinement especially of disordered atoms DELU, SIMU and ISOR
commands have been used:

DFIX 1.500 0.020 C3 C4
DFIX 1.500 0.020 C4 C3'
DFIX 1.350 0.020 O3' C3'
DFIX 1.350 0.020 O3 C3
DFIX 1.350 0.020 O3 C2
DFIX 1.350 0.020 O3' C2'
DFIX 1.450 0.020 C1 C2
DFIX 1.450 0.020 C2' C1
DELU 0.010 0.010 C1 O1 O2 C2 C3 O3 C2' C3' O3' O4 C4 C5
SIMU 0.040 0.080 1.700 C1 O1 O2 C2 C3 O3 C2' C3' O3' O4 C4
SIMU 0.040 0.080 1.700 C5
ISOR 0.100 C1 O1 O2 C2 C3 O3 C2' C3' O3' O4 C4 C5

;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0660P)^2^+16.8369P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3306
_refine_ls_number_parameters     292
_refine_ls_number_restraints     208
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0405
_refine_ls_wR_factor_ref         0.1283
_refine_ls_wR_factor_gt          0.1181
_refine_ls_goodness_of_fit_ref   1.181
_refine_ls_restrained_S_all      1.157
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9585(9) 0.2064(4) 1.0259(9) 0.0292(19) Uani 1 1 d DU . .
C6 C 0.6668(9) 0.0310(3) 0.7757(9) 0.0238(18) Uani 1 1 d . . .
C7 C 0.5603(9) -0.0098(4) 0.7595(9) 0.0267(18) Uani 1 1 d . . .
H7 H 0.4671 -0.0017 0.7193 0.032 Uiso 1 1 calc R . .
C8 C 0.5909(9) -0.0626(4) 0.8025(9) 0.0282(19) Uani 1 1 d . . .
H8 H 0.5185 -0.0895 0.7902 0.034 Uiso 1 1 calc R . .
C9 C 0.7300(10) -0.0754(4) 0.8642(9) 0.030(2) Uani 1 1 d . . .
H9 H 0.7526 -0.1110 0.8900 0.036 Uiso 1 1 calc R . .
C10 C 0.8338(10) -0.0340(4) 0.8862(10) 0.033(2) Uani 1 1 d . . .
H10 H 0.9248 -0.0418 0.9311 0.039 Uiso 1 1 calc R . .
C11 C 0.8050(9) 0.0184(4) 0.8429(10) 0.031(2) Uani 1 1 d . . .
H11 H 0.8765 0.0455 0.8578 0.038 Uiso 1 1 calc R . .
C12 C 0.7200(8) 0.0976(3) 0.5442(10) 0.027(2) Uani 1 1 d . . .
C13 C 0.7435(9) 0.1467(4) 0.4793(13) 0.038(3) Uani 1 1 d . . .
H13 H 0.7145 0.1790 0.5198 0.046 Uiso 1 1 calc R . .
C14 C 0.8110(10) 0.1483(4) 0.3521(10) 0.031(2) Uani 1 1 d . . .
H14 H 0.8276 0.1812 0.3083 0.037 Uiso 1 1 calc R . .
C15 C 0.8509(10) 0.0997(4) 0.2958(10) 0.034(2) Uani 1 1 d . . .
H15 H 0.8948 0.1002 0.2119 0.041 Uiso 1 1 calc R . .
C16 C 0.8292(10) 0.0501(4) 0.3576(10) 0.034(2) Uani 1 1 d . . .
H16 H 0.8580 0.0178 0.3165 0.041 Uiso 1 1 calc R . .
C17 C 0.7631(9) 0.0494(4) 0.4827(10) 0.0282(19) Uani 1 1 d . . .
H17 H 0.7476 0.0163 0.5258 0.034 Uiso 1 1 calc R . .
C18 C 0.4365(8) 0.1043(3) 0.6749(9) 0.0221(18) Uani 1 1 d . . .
C19 C 0.3733(9) 0.1036(3) 0.5476(10) 0.0268(19) Uani 1 1 d . . .
H19 H 0.4335 0.1018 0.4730 0.032 Uiso 1 1 calc R . .
C20 C 0.2177(9) 0.1054(4) 0.5288(10) 0.029(2) Uani 1 1 d . . .
H20 H 0.1745 0.1047 0.4414 0.035 Uiso 1 1 calc R . .
C21 C 0.1292(9) 0.1083(3) 0.6368(10) 0.029(2) Uani 1 1 d . . .
H21 H 0.0256 0.1093 0.6232 0.034 Uiso 1 1 calc R . .
C22 C 0.1919(10) 0.1097(4) 0.7669(10) 0.032(2) Uani 1 1 d . . .
H22 H 0.1305 0.1117 0.8407 0.038 Uiso 1 1 calc R . .
C23 C 0.3458(9) 0.1080(4) 0.7880(10) 0.0275(19) Uani 1 1 d . . .
H23 H 0.3887 0.1094 0.8755 0.033 Uiso 1 1 calc R . .
O1 O 0.8405(6) 0.2209(2) 0.9604(6) 0.0276(13) Uani 1 1 d U A .
O2 O 1.0083(8) 0.1594(3) 1.0278(8) 0.0448(18) Uani 1 1 d U A .
P1 P 0.6373(2) 0.09847(8) 0.7087(2) 0.0226(5) Uani 1 1 d . A .
Au1 Au 0.74045(3) 0.161819(13) 0.84165(4) 0.02545(18) Uani 1 1 d . . .
C2 C 1.033(3) 0.2384(10) 1.136(3) 0.042(6) Uani 0.399(17) 1 d PDU A 1
H2A H 1.0756 0.2706 1.0959 0.050 Uiso 0.399(17) 1 calc PR A 1
H2B H 0.9569 0.2505 1.1964 0.050 Uiso 0.399(17) 1 calc PR A 1
C3 C 1.233(3) 0.2566(10) 1.253(4) 0.056(6) Uani 0.399(17) 1 d PDU A 1
H3A H 1.1824 0.2801 1.3155 0.067 Uiso 0.399(17) 1 calc PR A 1
H3B H 1.2618 0.2779 1.1752 0.067 Uiso 0.399(17) 1 calc PR A 1
O3 O 1.144(2) 0.2133(8) 1.213(2) 0.046(5) Uani 0.399(17) 1 d PDU A 1
C2' C 1.0390(15) 0.2579(7) 1.080(2) 0.039(4) Uani 0.601(17) 1 d PDU A 2
H2'1 H 1.0394 0.2842 1.0063 0.047 Uiso 0.601(17) 1 calc PR A 2
H2'2 H 0.9800 0.2733 1.1505 0.047 Uiso 0.601(17) 1 calc PR A 2
C3' C 1.1937(17) 0.2306(8) 1.2643(18) 0.039(4) Uani 0.601(17) 1 d PDU A 2
H3'1 H 1.1537 0.1939 1.2643 0.047 Uiso 0.601(17) 1 calc PR A 2
H3'2 H 1.1344 0.2529 1.3232 0.047 Uiso 0.601(17) 1 calc PR A 2
O3' O 1.1854(11) 0.2520(4) 1.1310(11) 0.038(3) Uani 0.601(17) 1 d PDU A 2
O4 O 1.4471(8) 0.1920(3) 1.2525(10) 0.059(2) Uani 1 1 d U A .
C4 C 1.3595(13) 0.2302(5) 1.3176(13) 0.056(3) Uani 1 1 d DU . .
H4A H 1.4268 0.2588 1.3495 0.067 Uiso 1 1 calc R A 1
H4B H 1.3234 0.2123 1.3978 0.067 Uiso 1 1 calc R A 1
C5 C 1.522(2) 0.2093(7) 1.1456(15) 0.084(5) Uani 1 1 d U . .
H5A H 1.5758 0.1794 1.1084 0.127 Uiso 1 1 calc R A .
H5B H 1.5908 0.2375 1.1740 0.127 Uiso 1 1 calc R . .
H5C H 1.4520 0.2235 1.0778 0.127 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.018(4) 0.041(5) 0.029(5) -0.010(4) 0.004(3) 0.006(3)
C6 0.018(4) 0.026(4) 0.026(5) -0.004(3) -0.005(3) 0.005(3)
C7 0.022(4) 0.026(4) 0.031(5) 0.000(4) -0.007(3) 0.001(3)
C8 0.025(4) 0.031(5) 0.028(5) -0.002(4) 0.000(4) -0.001(4)
C9 0.036(5) 0.033(5) 0.021(5) -0.001(4) 0.005(4) 0.015(4)
C10 0.024(4) 0.043(6) 0.032(5) 0.005(4) -0.001(4) 0.010(4)
C11 0.015(4) 0.040(5) 0.039(5) 0.003(4) -0.008(4) 0.002(4)
C12 0.008(3) 0.021(4) 0.053(6) -0.005(4) -0.012(4) 0.000(3)
C13 0.015(4) 0.018(4) 0.082(8) 0.002(5) -0.008(4) -0.008(3)
C14 0.030(5) 0.032(5) 0.034(5) 0.001(4) 0.020(4) -0.002(4)
C15 0.027(5) 0.042(6) 0.036(6) -0.008(4) 0.015(4) -0.002(4)
C16 0.027(4) 0.031(5) 0.045(6) -0.014(4) 0.009(4) -0.002(4)
C17 0.018(4) 0.026(4) 0.041(6) -0.002(4) 0.001(4) -0.005(3)
C18 0.011(4) 0.018(4) 0.036(5) -0.001(3) -0.010(3) 0.002(3)
C19 0.018(4) 0.025(4) 0.037(5) 0.000(4) -0.001(4) 0.003(3)
C20 0.016(4) 0.031(5) 0.039(5) 0.003(4) -0.008(4) 0.000(3)
C21 0.010(4) 0.022(4) 0.054(6) 0.004(4) -0.002(4) 0.003(3)
C22 0.020(4) 0.035(5) 0.040(6) 0.006(4) 0.004(4) 0.000(4)
C23 0.018(4) 0.035(5) 0.030(5) -0.004(4) 0.006(3) 0.003(3)
O1 0.028(3) 0.017(3) 0.037(4) -0.007(3) -0.001(2) 0.001(2)
O2 0.045(4) 0.051(4) 0.037(4) -0.010(3) -0.014(3) 0.026(3)
P1 0.0124(9) 0.0222(10) 0.0325(12) -0.0042(9) -0.0076(8) 0.0002(8)
Au1 0.0177(2) 0.0215(2) 0.0363(3) -0.00691(14) -0.00908(15) 0.00174(12)
C2 0.051(12) 0.039(11) 0.033(12) 0.002(9) -0.012(9) -0.002(9)
C3 0.064(12) 0.043(14) 0.059(14) -0.026(12) -0.014(10) 0.007(8)
O3 0.043(9) 0.030(10) 0.063(11) -0.016(8) -0.024(7) 0.017(7)
C2' 0.021(6) 0.050(8) 0.047(10) -0.028(8) -0.001(6) 0.006(6)
C3' 0.045(7) 0.008(8) 0.065(9) 0.000(8) 0.008(7) 0.001(7)
O3' 0.029(5) 0.033(6) 0.050(6) -0.008(5) -0.012(4) 0.000(4)
O4 0.037(4) 0.047(5) 0.092(6) -0.015(4) -0.010(4) -0.001(3)
C4 0.059(6) 0.052(7) 0.054(7) -0.014(5) -0.016(5) -0.009(5)
C5 0.133(14) 0.076(10) 0.044(7) 0.014(7) -0.004(6) 0.038(9)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O2 1.236(11) . ?
C1 O1 1.265(11) . ?
C1 C2 1.476(17) . ?
C1 C2' 1.536(14) . ?
C6 C7 1.386(12) . ?
C6 C11 1.411(12) . ?
C6 P1 1.798(9) . ?
C7 C8 1.386(13) . ?
C7 H7 0.9300 . ?
C8 C9 1.397(12) . ?
C8 H8 0.9300 . ?
C9 C10 1.387(14) . ?
C9 H9 0.9300 . ?
C10 C11 1.376(14) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.386(13) . ?
C12 C17 1.390(12) . ?
C12 P1 1.810(10) . ?
C13 C14 1.414(15) . ?
C13 H13 0.9300 . ?
C14 C15 1.369(13) . ?
C14 H14 0.9300 . ?
C15 C16 1.380(14) . ?
C15 H15 0.9300 . ?
C16 C17 1.389(14) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.355(13) . ?
C18 C23 1.408(13) . ?
C18 P1 1.818(7) . ?
C19 C20 1.396(12) . ?
C19 H19 0.9300 . ?
C20 C21 1.354(14) . ?
C20 H20 0.9300 . ?
C21 C22 1.379(14) . ?
C21 H21 0.9300 . ?
C22 C23 1.383(12) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
O1 Au1 2.047(6) . ?
P1 Au1 2.211(2) . ?
C2 O3 1.370(18) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 O3 1.374(18) . ?
C3 C4 1.433(18) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C2' O3' 1.391(14) . ?
C2' H2'1 0.9700 . ?
C2' H2'2 0.9700 . ?
C3' O3' 1.414(16) . ?
C3' C4 1.552(16) . ?
C3' H3'1 0.9700 . ?
C3' H3'2 0.9700 . ?
O4 C5 1.339(18) . ?
O4 C4 1.393(14) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 C1 O1 124.3(8) . . ?
O2 C1 C2 109.4(11) . . ?
O1 C1 C2 124.6(11) . . ?
O2 C1 C2' 126.8(9) . . ?
O1 C1 C2' 108.2(9) . . ?
C2 C1 C2' 28.3(11) . . ?
C7 C6 C11 118.6(8) . . ?
C7 C6 P1 122.3(6) . . ?
C11 C6 P1 119.1(7) . . ?
C8 C7 C6 121.0(8) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C7 C8 C9 120.3(8) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C10 C9 C8 118.7(8) . . ?
C10 C9 H9 120.6 . . ?
C8 C9 H9 120.6 . . ?
C11 C10 C9 121.4(8) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 C6 119.9(9) . . ?
C10 C11 H11 120.0 . . ?
C6 C11 H11 120.0 . . ?
C13 C12 C17 119.2(9) . . ?
C13 C12 P1 118.6(7) . . ?
C17 C12 P1 122.2(7) . . ?
C12 C13 C14 120.8(9) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C15 C14 C13 117.6(9) . . ?
C15 C14 H14 121.2 . . ?
C13 C14 H14 121.2 . . ?
C14 C15 C16 123.1(9) . . ?
C14 C15 H15 118.4 . . ?
C16 C15 H15 118.4 . . ?
C15 C16 C17 118.3(8) . . ?
C15 C16 H16 120.8 . . ?
C17 C16 H16 120.8 . . ?
C16 C17 C12 120.9(9) . . ?
C16 C17 H17 119.6 . . ?
C12 C17 H17 119.6 . . ?
C19 C18 C23 120.2(7) . . ?
C19 C18 P1 122.6(7) . . ?
C23 C18 P1 117.1(6) . . ?
C18 C19 C20 119.8(9) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C21 C20 C19 120.5(9) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C22 120.3(8) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C23 120.2(9) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C18 118.9(9) . . ?
C22 C23 H23 120.6 . . ?
C18 C23 H23 120.6 . . ?
C1 O1 Au1 115.3(5) . . ?
C6 P1 C12 105.0(4) . . ?
C6 P1 C18 105.6(4) . . ?
C12 P1 C18 105.9(4) . . ?
C6 P1 Au1 112.2(3) . . ?
C12 P1 Au1 111.4(3) . . ?
C18 P1 Au1 116.0(3) . . ?
O1 Au1 P1 178.29(18) . . ?
O3 C2 C1 117.7(18) . . ?
O3 C2 H2A 107.9 . . ?
C1 C2 H2A 107.9 . . ?
O3 C2 H2B 107.9 . . ?
C1 C2 H2B 107.9 . . ?
H2A C2 H2B 107.2 . . ?
O3 C3 C4 102.4(17) . . ?
O3 C3 H3A 111.3 . . ?
C4 C3 H3A 111.3 . . ?
O3 C3 H3B 111.3 . . ?
C4 C3 H3B 111.3 . . ?
H3A C3 H3B 109.2 . . ?
C2 O3 C3 101.9(16) . . ?
O3' C2' C1 117.4(13) . . ?
O3' C2' H2'1 108.0 . . ?
C1 C2' H2'1 108.0 . . ?
O3' C2' H2'2 108.0 . . ?
C1 C2' H2'2 108.0 . . ?
H2'1 C2' H2'2 107.2 . . ?
O3' C3' C4 109.3(12) . . ?
O3' C3' H3'1 109.8 . . ?
C4 C3' H3'1 109.8 . . ?
O3' C3' H3'2 109.8 . . ?
C4 C3' H3'2 109.8 . . ?
H3'1 C3' H3'2 108.3 . . ?
C2' O3' C3' 112.9(14) . . ?
C5 O4 C4 117.2(11) . . ?
O4 C4 C3 123.2(16) . . ?
O4 C4 C3' 113.3(11) . . ?
C3 C4 C3' 28.2(11) . . ?
O4 C4 H4A 106.5 . . ?
C3 C4 H4A 106.5 . . ?
C3' C4 H4A 132.4 . . ?
O4 C4 H4B 106.5 . . ?
C3 C4 H4B 106.5 . . ?
C3' C4 H4B 86.3 . . ?
H4A C4 H4B 106.5 . . ?
O4 C5 H5A 109.5 . . ?
O4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
O4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?

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
C11 C6 C7 C8 -3.0(13) . . . . ?
P1 C6 C7 C8 174.7(7) . . . . ?
C6 C7 C8 C9 0.5(14) . . . . ?
C7 C8 C9 C10 2.5(13) . . . . ?
C8 C9 C10 C11 -3.1(14) . . . . ?
C9 C10 C11 C6 0.7(15) . . . . ?
C7 C6 C11 C10 2.4(14) . . . . ?
P1 C6 C11 C10 -175.3(7) . . . . ?
C17 C12 C13 C14 -0.3(13) . . . . ?
P1 C12 C13 C14 178.5(7) . . . . ?
C12 C13 C14 C15 0.4(14) . . . . ?
C13 C14 C15 C16 -0.4(15) . . . . ?
C14 C15 C16 C17 0.2(15) . . . . ?
C15 C16 C17 C12 0.0(13) . . . . ?
C13 C12 C17 C16 0.0(12) . . . . ?
P1 C12 C17 C16 -178.7(7) . . . . ?
C23 C18 C19 C20 -1.3(13) . . . . ?
P1 C18 C19 C20 176.7(7) . . . . ?
C18 C19 C20 C21 0.4(13) . . . . ?
C19 C20 C21 C22 0.3(14) . . . . ?
C20 C21 C22 C23 -0.1(14) . . . . ?
C21 C22 C23 C18 -0.7(14) . . . . ?
C19 C18 C23 C22 1.4(13) . . . . ?
P1 C18 C23 C22 -176.7(7) . . . . ?
O2 C1 O1 Au1 -4.6(12) . . . . ?
C2 C1 O1 Au1 -168.1(17) . . . . ?
C2' C1 O1 Au1 166.0(9) . . . . ?
C7 C6 P1 C12 -93.7(8) . . . . ?
C11 C6 P1 C12 83.9(8) . . . . ?
C7 C6 P1 C18 17.9(9) . . . . ?
C11 C6 P1 C18 -164.5(7) . . . . ?
C7 C6 P1 Au1 145.1(7) . . . . ?
C11 C6 P1 Au1 -37.2(8) . . . . ?
C13 C12 P1 C6 -166.5(6) . . . . ?
C17 C12 P1 C6 12.2(8) . . . . ?
C13 C12 P1 C18 82.0(7) . . . . ?
C17 C12 P1 C18 -99.3(7) . . . . ?
C13 C12 P1 Au1 -44.8(7) . . . . ?
C17 C12 P1 Au1 133.9(6) . . . . ?
C19 C18 P1 C6 -106.7(8) . . . . ?
C23 C18 P1 C6 71.4(7) . . . . ?
C19 C18 P1 C12 4.4(8) . . . . ?
C23 C18 P1 C12 -177.6(6) . . . . ?
C19 C18 P1 Au1 128.4(7) . . . . ?
C23 C18 P1 Au1 -53.5(7) . . . . ?
C1 O1 Au1 P1 -80(6) . . . . ?
C6 P1 Au1 O1 111(6) . . . . ?
C12 P1 Au1 O1 -6(6) . . . . ?
C18 P1 Au1 O1 -127(6) . . . . ?
O2 C1 C2 O3 3(3) . . . . ?
O1 C1 C2 O3 169(2) . . . . ?
C2' C1 C2 O3 -130(5) . . . . ?
C1 C2 O3 C3 152(3) . . . . ?
C4 C3 O3 C2 -172(2) . . . . ?
O2 C1 C2' O3' 3(2) . . . . ?
O1 C1 C2' O3' -167.5(14) . . . . ?
C2 C1 C2' O3' 62(3) . . . . ?
C1 C2' O3' C3' -78.9(19) . . . . ?
C4 C3' O3' C2' -175.2(12) . . . . ?
C5 O4 C4 C3 63(2) . . . . ?
C5 O4 C4 C3' 93.5(14) . . . . ?
O3 C3 C4 O4 58(3) . . . . ?
O3 C3 C4 C3' -20(2) . . . . ?
O3' C3' C4 O4 -69.7(16) . . . . ?
O3' C3' C4 C3 47(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_theta_full        61.99
_diffrn_measured_fraction_theta_full 0.975
_refine_diff_density_max         1.995
_refine_diff_density_min         -2.492
_refine_diff_density_rms         0.205