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


data_global

_journal_coden_Cambridge         222

loop_
_publ_author_name
'Serratrice, Maria'
'Edafe, Fabio'
'Mendes, Filipa'
'Scopelliti, Rosario'
'Zakeeruddin, Shaik'
'Gratzel, Michael'
'Santos, Isabel'
'Cinellu, Maria A.'
'Casini, Angela'

_publ_contact_author_name        'Casini, Angela'
_publ_contact_author_email       angela.casini@epfl.ch

_publ_section_title              
;
Cytotoxic gold compounds showing selectivity between
cancerous and normal cells: synthesis and biological
characterization
;

# Attachment '- ms1 CIF.txt'

data_ms1
_database_code_depnum_ccdc_archive 'CCDC 848506'
#TrackingRef '- ms1 CIF.txt'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H36 Au2 N3 P2, F6 P'
_chemical_formula_sum            'C44 H36 Au2 F6 N3 P3'
_chemical_formula_weight         1207.60

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'

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

_cell_length_a                   24.654(4)
_cell_length_b                   11.8666(17)
_cell_length_c                   14.493(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.051(13)
_cell_angle_gamma                90.00
_cell_volume                     4113.1(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    207
_cell_measurement_theta_min      3
_cell_measurement_theta_max      22

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.950
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2312
_exptl_absorpt_coefficient_mu    7.306
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4703
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS 2008, Bruker AXS, 2008'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4722
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0732
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.08
_diffrn_reflns_theta_max         27.55
_reflns_number_total             4722
_reflns_number_gt                3867
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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.
;

_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^)+(0.0001P)^2^+659.9799P] 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         4722
_refine_ls_number_parameters     271
_refine_ls_number_restraints     172
_refine_ls_R_factor_all          0.1186
_refine_ls_R_factor_gt           0.1014
_refine_ls_wR_factor_ref         0.2593
_refine_ls_wR_factor_gt          0.2502
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_restrained_S_all      1.143
_refine_ls_shift/su_max          0.000
_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
Au1 Au 0.41188(3) 0.13708(6) 0.05788(6) 0.0164(2) Uani 1 1 d . . .
P1 P 0.3473(2) 0.0915(5) -0.0746(4) 0.0183(10) Uani 1 1 d . . .
N1 N 0.4688(7) 0.1834(16) 0.1804(14) 0.023(3) Uani 1 1 d U . .
C1 C 0.4801(8) 0.2968(18) 0.2072(15) 0.020(4) Uani 1 1 d U . .
H1 H 0.4635 0.3612 0.1727 0.024 Uiso 1 1 calc R . .
C2 C 0.5000 0.118(3) 0.2500 0.025(4) Uani 1 2 d SU . .
C3 C 0.5000 -0.004(3) 0.2500 0.026(4) Uani 1 2 d SDU . .
N2 N 0.494(2) -0.061(2) 0.166(2) 0.034(4) Uani 0.50 1 d PDU A 1
C4 C 0.485(2) -0.061(2) 0.166(2) 0.034(4) Uani 0.50 1 d PDU A 2
H4A H 0.4707 -0.0242 0.1065 0.040 Uiso 0.50 1 calc PR A 2
C5 C 0.4908(10) -0.176(2) 0.173(2) 0.042(4) Uani 1 1 d DU . .
H5 H 0.4809 -0.2185 0.1152 0.050 Uiso 1 1 calc R A 1
C6 C 0.5000 -0.230(4) 0.2500 0.048(6) Uani 1 2 d SU . .
H6 H 0.5000 -0.3105 0.2500 0.058 Uiso 1 2 calc SR . .
C7 C 0.3499(9) -0.0592(17) -0.0994(15) 0.021(3) Uani 1 1 d U . .
C8 C 0.3984(9) -0.1042(17) -0.0956(15) 0.021(3) Uani 1 1 d U . .
H8 H 0.4298 -0.0554 -0.0867 0.025 Uiso 1 1 calc R . .
C9 C 0.4078(10) -0.2237(19) -0.1039(16) 0.026(3) Uani 1 1 d U . .
H9 H 0.4437 -0.2542 -0.1021 0.031 Uiso 1 1 calc R . .
C10 C 0.3578(10) -0.294(2) -0.1153(17) 0.027(3) Uani 1 1 d U . .
H10 H 0.3608 -0.3737 -0.1191 0.032 Uiso 1 1 calc R . .
C11 C 0.3067(10) -0.2451(19) -0.1205(17) 0.026(3) Uani 1 1 d U . .
H11 H 0.2743 -0.2909 -0.1284 0.031 Uiso 1 1 calc R . .
C12 C 0.3023(9) -0.1279(19) -0.1143(16) 0.023(3) Uani 1 1 d U . .
H12 H 0.2666 -0.0944 -0.1202 0.028 Uiso 1 1 calc R . .
C13 C 0.2762(9) 0.1087(17) -0.0601(15) 0.020(3) Uani 1 1 d U . .
C14 C 0.2652(9) 0.0859(18) 0.0245(16) 0.023(3) Uani 1 1 d U . .
H14 H 0.2955 0.0712 0.0777 0.027 Uiso 1 1 calc R . .
C15 C 0.2106(9) 0.0832(18) 0.0369(17) 0.025(3) Uani 1 1 d U . .
H15 H 0.2038 0.0692 0.0977 0.030 Uiso 1 1 calc R . .
C16 C 0.1653(9) 0.1019(18) -0.0444(17) 0.024(3) Uani 1 1 d U . .
H16 H 0.1276 0.0950 -0.0398 0.029 Uiso 1 1 calc R . .
C17 C 0.1772(9) 0.1298(19) -0.1287(17) 0.025(3) Uani 1 1 d U . .
H17 H 0.1471 0.1465 -0.1817 0.031 Uiso 1 1 calc R . .
C18 C 0.2315(8) 0.1351(17) -0.1406(15) 0.018(3) Uani 1 1 d U . .
H18 H 0.2387 0.1554 -0.2000 0.022 Uiso 1 1 calc R . .
C19 C 0.3522(8) 0.1639(18) -0.1809(14) 0.019(3) Uani 1 1 d U . .
C20 C 0.3411(9) 0.1117(19) -0.2701(15) 0.023(3) Uani 1 1 d U . .
H20 H 0.3328 0.0335 -0.2752 0.027 Uiso 1 1 calc R . .
C21 C 0.3421(9) 0.174(2) -0.3529(16) 0.027(3) Uani 1 1 d U . .
H21 H 0.3327 0.1396 -0.4138 0.032 Uiso 1 1 calc R . .
C22 C 0.3572(9) 0.289(2) -0.3431(16) 0.026(3) Uani 1 1 d U . .
H22 H 0.3573 0.3327 -0.3982 0.031 Uiso 1 1 calc R . .
C23 C 0.3717(9) 0.340(2) -0.2555(16) 0.025(3) Uani 1 1 d U . .
H23 H 0.3830 0.4163 -0.2506 0.030 Uiso 1 1 calc R . .
C24 C 0.3701(9) 0.280(2) -0.1734(16) 0.024(3) Uani 1 1 d U . .
H24 H 0.3808 0.3150 -0.1129 0.029 Uiso 1 1 calc R . .
P2 P 0.0000 0.0000 -0.5000 0.0225(16) Uani 1 2 d S . .
F1 F -0.0222(5) 0.1279(11) -0.4986(10) 0.029(3) Uani 1 1 d . . .
F2 F -0.0458(6) -0.0415(11) -0.4434(11) 0.032(3) Uani 1 1 d . . .
F3 F 0.0449(6) 0.0213(12) -0.4008(10) 0.035(3) Uani 1 1 d . . .

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
Au1 0.0185(4) 0.0158(3) 0.0139(3) -0.0005(3) 0.0015(3) -0.0004(3)
P1 0.017(2) 0.024(3) 0.013(2) 0.000(2) 0.0018(19) 0.000(2)
N1 0.018(6) 0.024(7) 0.026(7) -0.001(6) 0.003(6) 0.000(5)
C1 0.018(7) 0.020(8) 0.020(8) -0.003(7) 0.004(7) 0.002(6)
C2 0.016(7) 0.023(8) 0.034(8) 0.000 0.004(7) 0.000
C3 0.013(7) 0.026(7) 0.041(8) 0.000 0.010(6) 0.000
N2 0.017(6) 0.033(6) 0.050(6) -0.010(5) 0.006(5) -0.001(5)
C4 0.017(6) 0.033(6) 0.050(6) -0.010(5) 0.006(5) -0.001(5)
C5 0.020(7) 0.041(8) 0.061(8) -0.012(6) 0.005(7) -0.002(6)
C6 0.027(10) 0.040(11) 0.073(12) 0.000 0.004(11) 0.000
C7 0.027(7) 0.015(6) 0.021(7) 0.003(6) 0.007(6) 0.004(6)
C8 0.026(6) 0.016(6) 0.022(6) 0.000(5) 0.008(5) 0.016(5)
C9 0.029(7) 0.025(7) 0.025(7) -0.002(6) 0.008(6) 0.011(6)
C10 0.032(7) 0.024(7) 0.027(7) -0.001(6) 0.014(6) 0.003(6)
C11 0.033(7) 0.022(7) 0.025(7) -0.002(6) 0.012(6) 0.000(6)
C12 0.028(7) 0.020(7) 0.025(7) -0.001(6) 0.011(6) 0.002(6)
C13 0.023(7) 0.016(6) 0.022(7) 0.002(6) 0.004(6) 0.009(6)
C14 0.026(7) 0.016(6) 0.025(7) 0.003(6) 0.004(6) 0.002(6)
C15 0.026(7) 0.019(7) 0.028(7) 0.005(6) 0.006(6) -0.001(6)
C16 0.024(7) 0.019(7) 0.030(7) 0.000(6) 0.006(6) -0.002(6)
C17 0.026(7) 0.024(7) 0.026(7) -0.002(6) 0.004(6) 0.002(6)
C18 0.023(7) 0.015(6) 0.017(7) -0.001(6) 0.005(6) 0.006(6)
C19 0.016(6) 0.025(7) 0.015(7) -0.004(6) -0.001(6) 0.000(6)
C20 0.020(7) 0.028(7) 0.019(7) -0.004(6) 0.002(6) -0.003(6)
C21 0.024(7) 0.037(8) 0.019(7) -0.003(7) 0.005(6) -0.001(6)
C22 0.026(7) 0.037(8) 0.017(7) 0.001(7) 0.010(6) -0.003(6)
C23 0.027(7) 0.031(8) 0.018(7) 0.003(7) 0.008(6) 0.000(6)
C24 0.025(7) 0.028(7) 0.018(7) -0.001(6) 0.003(6) 0.002(6)
P2 0.026(4) 0.019(3) 0.023(4) -0.001(3) 0.006(3) 0.004(3)
F1 0.033(7) 0.019(6) 0.032(7) 0.000(6) 0.006(6) 0.003(5)
F2 0.031(7) 0.024(7) 0.045(9) 0.008(6) 0.018(6) 0.002(6)
F3 0.045(8) 0.025(7) 0.031(8) 0.002(6) 0.001(6) -0.003(6)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 N1 2.053(18) . ?
Au1 P1 2.242(5) . ?
P1 C19 1.79(2) . ?
P1 C13 1.83(2) . ?
P1 C7 1.83(2) . ?
N1 C2 1.35(3) . ?
N1 C1 1.41(3) . ?
C1 C1 1.38(4) 2_655 ?
C1 H1 0.9500 . ?
C2 N1 1.35(3) 2_655 ?
C2 C3 1.44(5) . ?
C3 C4 1.37(3) 2_655 ?
C3 C4 1.37(3) . ?
C3 N2 1.38(3) . ?
C3 N2 1.38(3) 2_655 ?
N2 C5 1.38(3) . ?
C4 C5 1.38(3) . ?
C4 H4A 0.9500 . ?
C5 C6 1.26(4) . ?
C5 H5 0.9500 . ?
C6 C5 1.26(4) 2_655 ?
C6 H6 0.9500 . ?
C7 C8 1.30(3) . ?
C7 C12 1.40(3) . ?
C8 C9 1.45(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.46(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.37(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.40(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.35(3) . ?
C13 C18 1.43(3) . ?
C14 C15 1.40(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.43(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.36(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.39(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.40(3) . ?
C19 C24 1.44(3) . ?
C20 C21 1.42(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.41(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.37(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.40(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
P2 F3 1.607(14) 5_554 ?
P2 F3 1.607(14) . ?
P2 F1 1.615(13) . ?
P2 F1 1.615(13) 5_554 ?
P2 F2 1.625(13) 5_554 ?
P2 F2 1.625(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Au1 P1 177.7(5) . . ?
C19 P1 C13 108.2(9) . . ?
C19 P1 C7 106.6(10) . . ?
C13 P1 C7 102.3(10) . . ?
C19 P1 Au1 116.0(7) . . ?
C13 P1 Au1 112.1(7) . . ?
C7 P1 Au1 110.6(7) . . ?
C2 N1 C1 107.7(19) . . ?
C2 N1 Au1 129.4(16) . . ?
C1 N1 Au1 122.8(14) . . ?
C1 C1 N1 107.3(11) 2_655 . ?
C1 C1 H1 126.4 2_655 . ?
N1 C1 H1 126.4 . . ?
N1 C2 N1 110(3) 2_655 . ?
N1 C2 C3 125.0(14) 2_655 . ?
N1 C2 C3 125.0(13) . . ?
C4 C3 C4 120(3) 2_655 . ?
C4 C3 N2 120(3) 2_655 . ?
C4 C3 N2 120(3) . 2_655 ?
N2 C3 N2 121(3) . 2_655 ?
C4 C3 C2 119.8(17) 2_655 . ?
C4 C3 C2 119.8(17) . . ?
N2 C3 C2 119.5(16) . . ?
N2 C3 C2 119.5(16) 2_655 . ?
C3 N2 C5 115(3) . . ?
C3 C4 C5 115(3) . . ?
C3 C4 H4A 122.4 . . ?
C5 C4 H4A 122.4 . . ?
C6 C5 C4 124(3) . . ?
C6 C5 N2 125(3) . . ?
C6 C5 H5 117.6 . . ?
C4 C5 H5 117.1 . . ?
N2 C5 H5 117.6 . . ?
C5 C6 C5 119(4) . 2_655 ?
C5 C6 H6 120.5 . . ?
C5 C6 H6 120.5 2_655 . ?
C8 C7 C12 120(2) . . ?
C8 C7 P1 118.0(17) . . ?
C12 C7 P1 122.0(16) . . ?
C7 C8 C9 124(2) . . ?
C7 C8 H8 117.9 . . ?
C9 C8 H8 117.9 . . ?
C8 C9 C10 115(2) . . ?
C8 C9 H9 122.5 . . ?
C10 C9 H9 122.5 . . ?
C11 C10 C9 120(2) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 120(2) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C7 121(2) . . ?
C11 C12 H12 119.6 . . ?
C7 C12 H12 119.6 . . ?
C14 C13 C18 120(2) . . ?
C14 C13 P1 119.6(16) . . ?
C18 C13 P1 120.0(16) . . ?
C13 C14 C15 122(2) . . ?
C13 C14 H14 118.9 . . ?
C15 C14 H14 118.9 . . ?
C14 C15 C16 118(2) . . ?
C14 C15 H15 120.9 . . ?
C16 C15 H15 120.9 . . ?
C17 C16 C15 119(2) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C16 C17 C18 123(2) . . ?
C16 C17 H17 118.5 . . ?
C18 C17 H17 118.5 . . ?
C17 C18 C13 118(2) . . ?
C17 C18 H18 121.2 . . ?
C13 C18 H18 121.2 . . ?
C20 C19 C24 119(2) . . ?
C20 C19 P1 122.9(17) . . ?
C24 C19 P1 118.4(16) . . ?
C19 C20 C21 121(2) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C22 C21 C20 119(2) . . ?
C22 C21 H21 120.7 . . ?
C20 C21 H21 120.7 . . ?
C23 C22 C21 121(2) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C22 C23 C24 121(2) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C23 C24 C19 120(2) . . ?
C23 C24 H24 120.2 . . ?
C19 C24 H24 120.2 . . ?
F3 P2 F3 180.0(10) 5_554 . ?
F3 P2 F1 89.9(7) 5_554 . ?
F3 P2 F1 90.1(7) . . ?
F3 P2 F1 90.1(7) 5_554 5_554 ?
F3 P2 F1 89.9(7) . 5_554 ?
F1 P2 F1 179.996(3) . 5_554 ?
F3 P2 F2 90.5(8) 5_554 5_554 ?
F3 P2 F2 89.5(8) . 5_554 ?
F1 P2 F2 90.0(7) . 5_554 ?
F1 P2 F2 90.0(7) 5_554 5_554 ?
F3 P2 F2 89.5(8) 5_554 . ?
F3 P2 F2 90.5(8) . . ?
F1 P2 F2 90.0(7) . . ?
F1 P2 F2 90.0(7) 5_554 . ?
F2 P2 F2 179.998(2) 5_554 . ?

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
C2 N1 C1 C1 2(3) . . . 2_655 ?
Au1 N1 C1 C1 179.6(17) . . . 2_655 ?
C1 N1 C2 N1 -0.6(10) . . . 2_655 ?
Au1 N1 C2 N1 -178.3(19) . . . 2_655 ?
C1 N1 C2 C3 179.4(10) . . . . ?
Au1 N1 C2 C3 1.7(19) . . . . ?
N1 C2 C3 C4 24(3) 2_655 . . 2_655 ?
N1 C2 C3 C4 -156(3) . . . 2_655 ?
N1 C2 C3 C4 -156(3) 2_655 . . . ?
N1 C2 C3 C4 24(3) . . . . ?
N1 C2 C3 N2 -144(3) 2_655 . . . ?
N1 C2 C3 N2 36(3) . . . . ?
N1 C2 C3 N2 36(3) 2_655 . . 2_655 ?
N1 C2 C3 N2 -144(3) . . . 2_655 ?
C4 C3 N2 C5 16(7) 2_655 . . . ?
C4 C3 N2 C5 -81(9) . . . . ?
N2 C3 N2 C5 4(2) 2_655 . . . ?
C2 C3 N2 C5 -176(2) . . . . ?
C4 C3 C4 C5 -6(3) 2_655 . . . ?
N2 C3 C4 C5 83(9) . . . . ?
N2 C3 C4 C5 -17(7) 2_655 . . . ?
C2 C3 C4 C5 174(3) . . . . ?
C3 C4 C5 C6 13(6) . . . . ?
C3 C4 C5 N2 -84(9) . . . . ?
C3 N2 C5 C6 -10(5) . . . . ?
C3 N2 C5 C4 81(9) . . . . ?
C4 C5 C6 C5 -7(3) . . . 2_655 ?
N2 C5 C6 C5 5(3) . . . 2_655 ?
C19 P1 C7 C8 79.5(19) . . . . ?
C13 P1 C7 C8 -167.0(18) . . . . ?
Au1 P1 C7 C8 -47.5(19) . . . . ?
C19 P1 C7 C12 -105.9(19) . . . . ?
C13 P1 C7 C12 8(2) . . . . ?
Au1 P1 C7 C12 127.1(17) . . . . ?
C12 C7 C8 C9 -1(4) . . . . ?
P1 C7 C8 C9 173.5(17) . . . . ?
C7 C8 C9 C10 -1(3) . . . . ?
C8 C9 C10 C11 2(3) . . . . ?
C9 C10 C11 C12 0(4) . . . . ?
C10 C11 C12 C7 -2(4) . . . . ?
C8 C7 C12 C11 3(3) . . . . ?
P1 C7 C12 C11 -171.4(18) . . . . ?
C19 P1 C13 C14 -164.3(18) . . . . ?
C7 P1 C13 C14 83.4(19) . . . . ?
Au1 P1 C13 C14 -35(2) . . . . ?
C19 P1 C13 C18 22(2) . . . . ?
C7 P1 C13 C18 -90.3(18) . . . . ?
Au1 P1 C13 C18 151.2(15) . . . . ?
C18 C13 C14 C15 2(3) . . . . ?
P1 C13 C14 C15 -171.5(17) . . . . ?
C13 C14 C15 C16 2(3) . . . . ?
C14 C15 C16 C17 -5(3) . . . . ?
C15 C16 C17 C18 4(3) . . . . ?
C16 C17 C18 C13 1(3) . . . . ?
C14 C13 C18 C17 -3(3) . . . . ?
P1 C13 C18 C17 170.2(16) . . . . ?
C13 P1 C19 C20 -90.6(19) . . . . ?
C7 P1 C19 C20 19(2) . . . . ?
Au1 P1 C19 C20 142.5(15) . . . . ?
C13 P1 C19 C24 91.5(17) . . . . ?
C7 P1 C19 C24 -159.1(16) . . . . ?
Au1 P1 C19 C24 -35.4(18) . . . . ?
C24 C19 C20 C21 -6(3) . . . . ?
P1 C19 C20 C21 175.9(16) . . . . ?
C19 C20 C21 C22 3(3) . . . . ?
C20 C21 C22 C23 1(3) . . . . ?
C21 C22 C23 C24 -2(3) . . . . ?
C22 C23 C24 C19 -1(3) . . . . ?
C20 C19 C24 C23 5(3) . . . . ?
P1 C19 C24 C23 -176.9(16) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        27.55
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         8.014
_refine_diff_density_min         -6.408
_refine_diff_density_rms         0.537