# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Peter Kunz'
_publ_contact_author_email       PETER.KUNZ@UNI-DUESSELDORF.DE

_publ_section_title              
;
Imidazole-based phosphane gold(I) complexes as
potential agents for cancer treatment: Synthesis, structural
studies and antitumor activity
;
loop_
_publ_author_name
'Peter Kunz'
'Alexandra Hamacher'
'Matthias U. Kassack'
'Bernhard Spingler'

# Attachment 'ClAuTIPZnCl2.cif'

data_klunker
_database_code_depnum_ccdc_archive 'CCDC 719958'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H27 Au Cl3 N6 P Zn'
_chemical_formula_weight         727.11

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

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                   15.769(8)
_cell_length_b                   11.527(5)
_cell_length_c                   20.734(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.73(4)
_cell_angle_gamma                90.00
_cell_volume                     3661(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       'brick shaped'
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1408
_exptl_absorpt_coefficient_mu    4.933
_exptl_absorpt_correction_type   non
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  'STADI CCD (STOE & Cie)'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            42812
_diffrn_reflns_av_R_equivalents  0.0925
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         5.12
_diffrn_reflns_theta_max         25.00
_reflns_number_total             6392
_reflns_number_gt                4090
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD (KUMA Diffraction, 2000a)'
_computing_cell_refinement       'CrysAlis RED (KUMA Diffraction, 2000b)'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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.
;

_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^)+(0.1301P)^2^+0.0000P] 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         6392
_refine_ls_number_parameters     271
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0880
_refine_ls_R_factor_gt           0.0660
_refine_ls_wR_factor_ref         0.2022
_refine_ls_wR_factor_gt          0.1887
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.017
_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
C01 C -0.1354(5) 1.0939(8) 0.2715(4) 0.071(2) Uani 1 1 d . . .
C02 C -0.0992(6) 1.1819(8) 0.3106(4) 0.079(2) Uani 1 1 d . . .
H02 H -0.0400 1.1964 0.3268 0.095 Uiso 1 1 calc R . .
C03 C -0.2430(7) 1.1958(10) 0.2890(5) 0.089(3) Uani 1 1 d . . .
C4 C -0.1392(5) 0.8534(7) 0.2633(4) 0.068(2) Uani 1 1 d . . .
C5 C -0.1055(6) 0.7590(9) 0.2989(5) 0.091(3) Uani 1 1 d . . .
H5 H -0.0466 0.7408 0.3140 0.109 Uiso 1 1 calc R . .
C6 C -0.2487(6) 0.7484(9) 0.2770(5) 0.087(3) Uani 1 1 d . . .
C7 C -0.1332(5) 0.9878(7) 0.1522(5) 0.071(2) Uani 1 1 d . . .
C8 C -0.0982(6) 0.9958(8) 0.0984(5) 0.078(2) Uani 1 1 d . . .
H8 H -0.0392 0.9951 0.0984 0.094 Uiso 1 1 calc R . .
C9 C -0.2413(7) 0.9993(8) 0.0638(5) 0.080(2) Uani 1 1 d . . .
C10 C -0.3308(8) 1.2421(12) 0.2913(7) 0.130(5) Uani 1 1 d D . .
H10 H -0.3119 1.3163 0.3132 0.156 Uiso 1 1 calc R . .
C11 C -0.3647(11) 1.189(2) 0.3436(10) 0.235(12) Uani 1 1 d D . .
H11A H -0.3171 1.1611 0.3780 0.352 Uiso 1 1 calc R . .
H11B H -0.4023 1.1257 0.3256 0.352 Uiso 1 1 calc R . .
H11C H -0.3972 1.2458 0.3618 0.352 Uiso 1 1 calc R . .
C12 C -0.3777(10) 1.2867(18) 0.2280(10) 0.219(11) Uani 1 1 d D . .
H12A H -0.3369 1.3122 0.2032 0.329 Uiso 1 1 calc R . .
H12B H -0.4134 1.3508 0.2347 0.329 Uiso 1 1 calc R . .
H12C H -0.4140 1.2267 0.2038 0.329 Uiso 1 1 calc R . .
C13 C -0.3395(9) 0.7082(13) 0.2749(7) 0.131(5) Uani 1 1 d D . .
H13 H -0.3198 0.6380 0.3008 0.157 Uiso 1 1 calc R . .
C14 C -0.3712(11) 0.769(2) 0.3326(10) 0.224(10) Uani 1 1 d D . .
H14A H -0.3250 0.8159 0.3579 0.336 Uiso 1 1 calc R . .
H14B H -0.3869 0.7106 0.3609 0.336 Uiso 1 1 calc R . .
H14C H -0.4210 0.8162 0.3144 0.336 Uiso 1 1 calc R . .
C15 C -0.3812(12) 0.642(2) 0.2135(16) 0.34(2) Uani 1 1 d D . .
H15A H -0.4395 0.6205 0.2152 0.504 Uiso 1 1 calc R . .
H15B H -0.3477 0.5734 0.2108 0.504 Uiso 1 1 calc R . .
H15C H -0.3832 0.6897 0.1752 0.504 Uiso 1 1 calc R . .
C16 C -0.3292(10) 1.0113(13) 0.0184(7) 0.127(5) Uani 1 1 d D . .
H16 H -0.3044 1.0165 -0.0206 0.152 Uiso 1 1 calc R . .
C17 C -0.3601(15) 1.1341(18) 0.0104(17) 0.31(2) Uani 1 1 d D . .
H17A H -0.3151 1.1845 0.0345 0.470 Uiso 1 1 calc R . .
H17B H -0.4114 1.1423 0.0275 0.470 Uiso 1 1 calc R . .
H17C H -0.3738 1.1545 -0.0358 0.470 Uiso 1 1 calc R . .
C18 C -0.3712(14) 0.8974(18) -0.0038(14) 0.254(13) Uani 1 1 d D . .
H18A H -0.4284 0.9103 -0.0317 0.382 Uiso 1 1 calc R . .
H18B H -0.3759 0.8526 0.0342 0.382 Uiso 1 1 calc R . .
H18C H -0.3363 0.8559 -0.0283 0.382 Uiso 1 1 calc R . .
Au1 Au 0.05662(2) 0.96627(5) 0.271998(19) 0.0896(2) Uani 1 1 d . . .
Cl1 Cl -0.13237(15) 1.4773(2) 0.40127(11) 0.0772(6) Uani 1 1 d . . .
Cl4 Cl -0.44015(13) 0.9777(2) 0.16950(13) 0.0850(6) Uani 1 1 d . . .
Cl5 Cl 0.20162(18) 0.9540(4) 0.31204(19) 0.1600(19) Uani 1 1 d . . .
N1 N -0.2272(4) 1.1033(7) 0.2585(3) 0.0719(17) Uani 1 1 d . . .
N2 N -0.1681(6) 1.2468(7) 0.3219(4) 0.091(2) Uani 1 1 d . . .
H2 H -0.1639 1.3087 0.3456 0.109 Uiso 1 1 calc R . .
N3 N -0.2303(4) 0.8436(6) 0.2498(4) 0.0748(18) Uani 1 1 d . . .
N4 N -0.1742(5) 0.6956(7) 0.3083(4) 0.094(2) Uani 1 1 d . . .
H4A H -0.1707 0.6321 0.3306 0.112 Uiso 1 1 calc R . .
N5 N -0.2262(5) 0.9916(7) 0.1278(3) 0.0769(19) Uani 1 1 d . . .
N6 N -0.1660(6) 1.0049(8) 0.0452(4) 0.101(3) Uani 1 1 d . . .
H6A H -0.1615 1.0131 0.0049 0.121 Uiso 1 1 calc R . .
P1 P -0.08660(13) 0.97366(19) 0.23776(10) 0.0589(5) Uani 1 1 d . . .
Zn1 Zn -0.29830(6) 0.97940(9) 0.19814(5) 0.0689(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
C01 0.053(4) 0.081(6) 0.078(5) 0.003(5) 0.011(4) 0.002(4)
C02 0.064(5) 0.088(6) 0.085(5) 0.015(5) 0.018(4) -0.002(5)
C03 0.076(7) 0.098(7) 0.102(7) 0.004(6) 0.037(5) 0.017(6)
C4 0.043(4) 0.067(5) 0.097(5) 0.003(4) 0.021(4) 0.002(4)
C5 0.061(5) 0.099(7) 0.117(7) 0.010(6) 0.030(5) 0.005(5)
C6 0.069(6) 0.092(7) 0.108(7) 0.008(6) 0.036(5) -0.010(5)
C7 0.044(4) 0.076(5) 0.099(6) 0.007(4) 0.031(4) 0.005(4)
C8 0.060(5) 0.105(7) 0.079(5) 0.005(5) 0.034(5) 0.001(4)
C9 0.072(6) 0.087(6) 0.083(6) 0.007(5) 0.023(5) 0.005(5)
C10 0.102(9) 0.136(10) 0.167(11) 0.001(9) 0.063(9) 0.065(8)
C11 0.117(12) 0.38(3) 0.25(2) 0.09(2) 0.130(14) 0.066(16)
C12 0.095(10) 0.23(2) 0.33(3) 0.15(2) 0.041(13) 0.068(12)
C13 0.088(8) 0.136(11) 0.190(13) 0.012(10) 0.074(9) -0.019(8)
C14 0.112(12) 0.32(3) 0.28(2) -0.04(2) 0.131(15) -0.045(15)
C15 0.109(14) 0.28(3) 0.63(6) -0.26(4) 0.10(2) -0.078(16)
C16 0.104(10) 0.178(14) 0.091(7) -0.010(8) 0.008(7) 0.017(9)
C17 0.19(2) 0.20(2) 0.45(4) -0.11(2) -0.13(2) 0.093(18)
C18 0.138(15) 0.23(2) 0.33(3) -0.04(2) -0.087(18) 0.011(16)
Au1 0.0419(3) 0.1388(5) 0.0907(3) -0.0011(2) 0.02083(19) 0.00398(17)
Cl1 0.0683(13) 0.0873(14) 0.0805(13) -0.0015(11) 0.0266(10) -0.0005(11)
Cl4 0.0357(10) 0.1177(18) 0.1004(15) 0.0024(13) 0.0139(10) 0.0016(10)
Cl5 0.0391(14) 0.317(6) 0.121(2) -0.014(3) 0.0135(14) 0.0117(19)
N1 0.048(4) 0.083(5) 0.092(4) -0.007(4) 0.031(3) 0.001(3)
N2 0.086(6) 0.085(5) 0.106(5) -0.024(5) 0.032(5) 0.003(4)
N3 0.057(4) 0.076(5) 0.099(5) -0.003(4) 0.032(3) -0.006(3)
N4 0.079(5) 0.092(6) 0.115(6) 0.025(5) 0.033(5) 0.001(5)
N5 0.048(4) 0.114(6) 0.065(4) 0.009(4) 0.006(3) 0.006(3)
N6 0.086(7) 0.152(8) 0.068(5) 0.011(4) 0.027(5) 0.009(5)
P1 0.0361(10) 0.0840(14) 0.0583(10) 0.0047(9) 0.0149(8) 0.0004(9)
Zn1 0.0370(5) 0.0957(7) 0.0764(6) 0.0015(5) 0.0184(4) 0.0023(4)

_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
C01 C02 1.338(12) . ?
C01 N1 1.413(10) . ?
C01 P1 1.805(9) . ?
C02 N2 1.384(11) . ?
C02 H02 0.9300 . ?
C03 N1 1.293(12) . ?
C03 N2 1.351(13) . ?
C03 C10 1.495(13) . ?
C4 C5 1.351(12) . ?
C4 N3 1.401(10) . ?
C4 P1 1.760(8) . ?
C5 N4 1.359(11) . ?
C5 H5 0.9300 . ?
C6 N3 1.297(12) . ?
C6 N4 1.346(12) . ?
C6 C13 1.496(15) . ?
C7 C8 1.361(12) . ?
C7 N5 1.434(11) . ?
C7 P1 1.759(10) . ?
C8 N6 1.346(13) . ?
C8 H8 0.9300 . ?
C9 N5 1.294(12) . ?
C9 N6 1.335(13) . ?
C9 C16 1.486(16) . ?
C10 C12 1.440(15) . ?
C10 C11 1.453(14) . ?
C10 H10 0.9800 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C15 1.495(17) . ?
C13 C14 1.565(15) . ?
C13 H13 0.9800 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C18 1.494(16) . ?
C16 C17 1.494(16) . ?
C16 H16 0.9800 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
Au1 P1 2.202(2) . ?
Au1 Cl5 2.244(3) . ?
Cl4 Zn1 2.174(2) . ?
N1 Zn1 2.049(7) . ?
N2 H2 0.8600 . ?
N3 Zn1 2.051(8) . ?
N4 H4A 0.8600 . ?
N5 Zn1 2.055(7) . ?
N6 H6A 0.8600 . ?

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
C02 C01 N1 109.1(8) . . ?
C02 C01 P1 131.1(7) . . ?
N1 C01 P1 119.8(6) . . ?
C01 C02 N2 105.9(8) . . ?
C01 C02 H02 127.1 . . ?
N2 C02 H02 127.1 . . ?
N1 C03 N2 111.0(8) . . ?
N1 C03 C10 126.7(11) . . ?
N2 C03 C10 122.3(11) . . ?
C5 C4 N3 107.2(7) . . ?
C5 C4 P1 130.3(6) . . ?
N3 C4 P1 122.5(6) . . ?
C4 C5 N4 106.7(8) . . ?
C4 C5 H5 126.6 . . ?
N4 C5 H5 126.6 . . ?
N3 C6 N4 109.4(8) . . ?
N3 C6 C13 124.2(11) . . ?
N4 C6 C13 126.4(10) . . ?
C8 C7 N5 106.8(8) . . ?
C8 C7 P1 132.8(7) . . ?
N5 C7 P1 120.4(6) . . ?
N6 C8 C7 106.2(8) . . ?
N6 C8 H8 126.9 . . ?
C7 C8 H8 126.9 . . ?
N5 C9 N6 109.9(9) . . ?
N5 C9 C16 125.0(10) . . ?
N6 C9 C16 124.9(10) . . ?
C12 C10 C11 129.1(14) . . ?
C12 C10 C03 112.2(11) . . ?
C11 C10 C03 112.4(11) . . ?
C12 C10 H10 98.4 . . ?
C11 C10 H10 98.4 . . ?
C03 C10 H10 98.4 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C15 C13 C6 114.0(12) . . ?
C15 C13 C14 136.2(14) . . ?
C6 C13 C14 108.5(11) . . ?
C15 C13 H13 93.7 . . ?
C6 C13 H13 93.7 . . ?
C14 C13 H13 93.7 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C9 C16 C18 113.1(12) . . ?
C9 C16 C17 112.9(13) . . ?
C18 C16 C17 133.6(17) . . ?
C9 C16 H16 91.9 . . ?
C18 C16 H16 91.9 . . ?
C17 C16 H16 91.9 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P1 Au1 Cl5 176.84(12) . . ?
C03 N1 C01 106.1(8) . . ?
C03 N1 Zn1 137.1(6) . . ?
C01 N1 Zn1 116.7(6) . . ?
C03 N2 C02 107.9(8) . . ?
C03 N2 H2 126.1 . . ?
C02 N2 H2 126.1 . . ?
C6 N3 C4 107.9(8) . . ?
C6 N3 Zn1 136.8(6) . . ?
C4 N3 Zn1 115.3(5) . . ?
C6 N4 C5 108.8(8) . . ?
C6 N4 H4A 125.6 . . ?
C5 N4 H4A 125.6 . . ?
C9 N5 C7 106.7(7) . . ?
C9 N5 Zn1 137.2(6) . . ?
C7 N5 Zn1 116.0(5) . . ?
C9 N6 C8 110.3(8) . . ?
C9 N6 H6A 124.8 . . ?
C8 N6 H6A 124.8 . . ?
C7 P1 C4 105.2(4) . . ?
C7 P1 C01 101.8(4) . . ?
C4 P1 C01 102.3(4) . . ?
C7 P1 Au1 118.7(3) . . ?
C4 P1 Au1 113.1(3) . . ?
C01 P1 Au1 113.8(3) . . ?
N1 Zn1 N3 94.0(3) . . ?
N1 Zn1 N5 94.1(3) . . ?
N3 Zn1 N5 96.5(3) . . ?
N1 Zn1 Cl4 123.5(2) . . ?
N3 Zn1 Cl4 120.8(2) . . ?
N5 Zn1 Cl4 120.9(2) . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.756
_refine_diff_density_min         -1.640
_refine_diff_density_rms         0.139

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.023 0.000 0.500 650 153 ' '
2 0.017 0.500 0.000 650 153 ' '
_platon_squeeze_details          
;
;

# Attachment 'MIPAuCl.cif'

data_kp101008
_database_code_depnum_ccdc_archive 'CCDC 719959'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H19 Au Cl N2 P'
_chemical_formula_weight         526.74

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

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                   10.5512(2)
_cell_length_b                   16.8042(2)
_cell_length_c                   10.3642(1)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.4315(13)
_cell_angle_gamma                90.00
_cell_volume                     1829.37(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    183(2)
_cell_measurement_reflns_used    9520
_cell_measurement_theta_min      2.2815
_cell_measurement_theta_max      32.5618

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.913
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1008
_exptl_absorpt_coefficient_mu    8.275
_exptl_absorpt_correction_T_min  0.70698
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      183(2)
_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Xcalibur Ruby CCD'
_diffrn_measurement_method       '\o oscillation scan'
_diffrn_detector_area_resol_mean 10.4498
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24310
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0479
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.29
_diffrn_reflns_theta_max         30.51
_reflns_number_total             5579
_reflns_number_gt                4125
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis RED (Oxford, 2007)'
_computing_cell_refinement       'CrysAlis RED (Oxford, 2007)'
_computing_data_reduction        'CrysAlis RED (Oxford, 2007)'
_computing_structure_solution    'SIR-97 (Altomare, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_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^)+(0.0291P)^2^+0.0000P] 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         5579
_refine_ls_number_parameters     210
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0269
_refine_ls_wR_factor_ref         0.0695
_refine_ls_wR_factor_gt          0.0665
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.001
_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 0.496734(16) 0.023343(10) 0.739325(13) 0.02730(6) Uani 1 1 d . . .
C1 C 0.5682(4) 0.1688(3) 0.9545(3) 0.0230(8) Uani 1 1 d . . .
C2 C 0.5753(4) 0.1791(3) 1.0864(3) 0.0261(9) Uani 1 1 d . . .
H2A H 0.6244 0.1487 1.1504 0.031 Uiso 1 1 calc R . .
C3 C 0.4460(4) 0.2687(2) 0.9894(3) 0.0215(8) Uani 1 1 d . . .
C4 C 0.3587(4) 0.3384(3) 0.9759(4) 0.0274(9) Uani 1 1 d . . .
H4 H 0.4109 0.3874 0.9951 0.033 Uiso 1 1 calc R . .
C5 C 0.2955(5) 0.3459(3) 0.8394(4) 0.0429(12) Uani 1 1 d . . .
H5A H 0.2442 0.2983 0.8176 0.064 Uiso 1 1 calc R . .
H5B H 0.3609 0.3512 0.7788 0.064 Uiso 1 1 calc R . .
H5C H 0.2406 0.3930 0.8333 0.064 Uiso 1 1 calc R . .
C6 C 0.2606(4) 0.3338(3) 1.0748(4) 0.0440(13) Uani 1 1 d . . .
H6C H 0.2073 0.3817 1.0682 0.066 Uiso 1 1 calc R . .
H6B H 0.3045 0.3303 1.1623 0.066 Uiso 1 1 calc R . .
H6A H 0.2071 0.2867 1.0575 0.066 Uiso 1 1 calc R . .
C7 C 0.7361(4) 0.0339(3) 0.9767(3) 0.0248(9) Uani 1 1 d . . .
C8 C 0.8447(4) 0.0648(3) 1.0472(4) 0.0341(10) Uani 1 1 d . . .
H8A H 0.8679 0.1188 1.0353 0.041 Uiso 1 1 calc R . .
C9 C 0.9184(5) 0.0178(3) 1.1337(4) 0.0428(12) Uani 1 1 d . . .
H9A H 0.9911 0.0395 1.1822 0.051 Uiso 1 1 calc R . .
C10 C 0.8860(4) -0.0613(3) 1.1499(4) 0.0394(12) Uani 1 1 d . . .
H10A H 0.9374 -0.0939 1.2086 0.047 Uiso 1 1 calc R . .
C11 C 0.7805(5) -0.0924(3) 1.0814(4) 0.0418(12) Uani 1 1 d . . .
H11A H 0.7582 -0.1465 1.0933 0.050 Uiso 1 1 calc R . .
C12 C 0.7062(4) -0.0456(3) 0.9953(4) 0.0323(10) Uani 1 1 d . . .
H12A H 0.6334 -0.0680 0.9479 0.039 Uiso 1 1 calc R . .
C13 C 0.7545(4) 0.1491(3) 0.7731(3) 0.0244(9) Uani 1 1 d . . .
C14 C 0.8014(4) 0.2223(3) 0.8161(4) 0.0321(10) Uani 1 1 d . . .
H14A H 0.7698 0.2463 0.8896 0.039 Uiso 1 1 calc R . .
C15 C 0.8939(5) 0.2610(3) 0.7530(5) 0.0403(12) Uani 1 1 d . . .
H15A H 0.9272 0.3107 0.7839 0.048 Uiso 1 1 calc R . .
C16 C 0.9373(4) 0.2258(3) 0.6437(5) 0.0427(13) Uani 1 1 d . . .
H16A H 1.0003 0.2517 0.5992 0.051 Uiso 1 1 calc R . .
C17 C 0.8892(4) 0.1536(3) 0.5998(4) 0.0403(13) Uani 1 1 d . . .
H17A H 0.9193 0.1301 0.5251 0.048 Uiso 1 1 calc R . .
C18 C 0.7963(4) 0.1141(3) 0.6640(3) 0.0334(11) Uani 1 1 d . . .
H18A H 0.7627 0.0645 0.6332 0.040 Uiso 1 1 calc R . .
N1 N 0.4865(3) 0.2254(2) 0.8944(3) 0.0210(7) Uani 1 1 d . . .
N2 N 0.4985(3) 0.2410(2) 1.1068(3) 0.0249(8) Uani 1 1 d . . .
H2 H 0.4844 0.2605 1.1830 0.030 Uiso 1 1 calc R . .
P1 P 0.63991(10) 0.09466(7) 0.86113(9) 0.0231(2) Uani 1 1 d . . .
Cl1 Cl 0.34788(12) -0.05313(8) 0.62315(10) 0.0409(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 0.03066(9) 0.02776(9) 0.02209(8) -0.00374(7) -0.00473(6) -0.00057(9)
C1 0.024(2) 0.024(2) 0.0209(17) -0.0018(16) 0.0016(15) -0.0014(18)
C2 0.030(2) 0.029(2) 0.0189(17) 0.0011(17) -0.0001(16) -0.006(2)
C3 0.023(2) 0.024(2) 0.0188(17) -0.0006(16) 0.0048(15) -0.0051(17)
C4 0.029(2) 0.024(2) 0.0291(19) -0.0035(18) 0.0061(17) 0.0014(19)
C5 0.051(3) 0.039(3) 0.037(2) -0.001(2) 0.000(2) 0.017(3)
C6 0.038(3) 0.051(4) 0.045(3) -0.001(2) 0.017(2) 0.008(3)
C7 0.026(2) 0.028(2) 0.0202(16) -0.0010(17) 0.0017(15) 0.0008(18)
C8 0.038(3) 0.026(3) 0.037(2) -0.002(2) -0.0082(19) 0.001(2)
C9 0.034(3) 0.052(4) 0.040(2) 0.005(3) -0.010(2) 0.004(3)
C10 0.039(3) 0.041(3) 0.038(2) 0.016(2) 0.002(2) 0.012(2)
C11 0.046(3) 0.034(3) 0.044(3) 0.014(2) -0.001(2) -0.003(2)
C12 0.036(3) 0.031(3) 0.030(2) 0.0007(18) 0.0010(18) -0.008(2)
C13 0.020(2) 0.032(2) 0.0203(17) 0.0028(17) -0.0038(15) 0.0069(18)
C14 0.034(2) 0.034(3) 0.028(2) 0.0055(19) 0.0019(18) -0.002(2)
C15 0.037(3) 0.038(3) 0.045(3) 0.010(2) 0.001(2) -0.003(2)
C16 0.026(2) 0.057(4) 0.045(3) 0.026(3) 0.009(2) 0.011(2)
C17 0.035(3) 0.059(4) 0.027(2) 0.010(2) 0.0074(19) 0.015(3)
C18 0.038(3) 0.039(3) 0.0214(18) 0.0013(19) -0.0034(18) 0.011(2)
N1 0.0247(17) 0.0195(19) 0.0186(15) 0.0004(13) 0.0019(13) -0.0003(15)
N2 0.031(2) 0.026(2) 0.0177(15) -0.0047(14) 0.0031(14) -0.0046(16)
P1 0.0254(5) 0.0241(6) 0.0192(4) -0.0030(4) -0.0010(4) 0.0010(5)
Cl1 0.0482(7) 0.0390(7) 0.0324(5) -0.0032(5) -0.0119(5) -0.0122(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 P1 2.2251(10) . ?
Au1 Cl1 2.2825(11) . ?
C1 C2 1.373(5) . ?
C1 N1 1.391(5) . ?
C1 P1 1.789(4) . ?
C2 N2 1.349(5) . ?
C2 H2A 0.9500 . ?
C3 N1 1.328(5) . ?
C3 N2 1.369(5) . ?
C3 C4 1.488(6) . ?
C4 C5 1.511(6) . ?
C4 C6 1.526(5) . ?
C4 H4 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6C 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6A 0.9800 . ?
C7 C12 1.390(6) . ?
C7 C8 1.400(6) . ?
C7 P1 1.810(4) . ?
C8 C9 1.379(6) . ?
C8 H8A 0.9500 . ?
C9 C10 1.385(7) . ?
C9 H9A 0.9500 . ?
C10 C11 1.366(7) . ?
C10 H10A 0.9500 . ?
C11 C12 1.377(6) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C18 1.382(5) . ?
C13 C14 1.384(6) . ?
C13 P1 1.828(4) . ?
C14 C15 1.387(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.394(7) . ?
C15 H15A 0.9500 . ?
C16 C17 1.375(7) . ?
C16 H16A 0.9500 . ?
C17 C18 1.402(6) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
N2 H2 0.8800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Cl1 177.23(4) . . ?
C2 C1 N1 109.5(3) . . ?
C2 C1 P1 129.8(3) . . ?
N1 C1 P1 120.7(3) . . ?
N2 C2 C1 106.0(4) . . ?
N2 C2 H2A 127.0 . . ?
C1 C2 H2A 127.0 . . ?
N1 C3 N2 110.0(4) . . ?
N1 C3 C4 126.9(3) . . ?
N2 C3 C4 123.1(3) . . ?
C3 C4 C5 111.6(3) . . ?
C3 C4 C6 110.5(4) . . ?
C5 C4 C6 111.5(4) . . ?
C3 C4 H4 107.7 . . ?
C5 C4 H4 107.7 . . ?
C6 C4 H4 107.7 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6C 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6C C6 H6B 109.5 . . ?
C4 C6 H6A 109.5 . . ?
H6C C6 H6A 109.5 . . ?
H6B C6 H6A 109.5 . . ?
C12 C7 C8 118.0(4) . . ?
C12 C7 P1 120.9(3) . . ?
C8 C7 P1 121.1(3) . . ?
C9 C8 C7 120.6(5) . . ?
C9 C8 H8A 119.7 . . ?
C7 C8 H8A 119.7 . . ?
C8 C9 C10 119.9(5) . . ?
C8 C9 H9A 120.0 . . ?
C10 C9 H9A 120.0 . . ?
C11 C10 C9 120.1(4) . . ?
C11 C10 H10A 119.9 . . ?
C9 C10 H10A 119.9 . . ?
C10 C11 C12 120.3(5) . . ?
C10 C11 H11A 119.9 . . ?
C12 C11 H11A 119.9 . . ?
C11 C12 C7 121.1(4) . . ?
C11 C12 H12A 119.5 . . ?
C7 C12 H12A 119.5 . . ?
C18 C13 C14 120.6(4) . . ?
C18 C13 P1 118.2(4) . . ?
C14 C13 P1 121.1(3) . . ?
C13 C14 C15 120.7(4) . . ?
C13 C14 H14A 119.6 . . ?
C15 C14 H14A 119.6 . . ?
C14 C15 C16 119.0(5) . . ?
C14 C15 H15A 120.5 . . ?
C16 C15 H15A 120.5 . . ?
C17 C16 C15 120.2(4) . . ?
C17 C16 H16A 119.9 . . ?
C15 C16 H16A 119.9 . . ?
C16 C17 C18 120.8(4) . . ?
C16 C17 H17A 119.6 . . ?
C18 C17 H17A 119.6 . . ?
C13 C18 C17 118.6(5) . . ?
C13 C18 H18A 120.7 . . ?
C17 C18 H18A 120.7 . . ?
C3 N1 C1 105.8(3) . . ?
C2 N2 C3 108.8(3) . . ?
C2 N2 H2 125.6 . . ?
C3 N2 H2 125.6 . . ?
C1 P1 C7 105.93(17) . . ?
C1 P1 C13 104.81(19) . . ?
C7 P1 C13 104.85(18) . . ?
C1 P1 Au1 112.50(13) . . ?
C7 P1 Au1 112.31(15) . . ?
C13 P1 Au1 115.59(13) . . ?

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
N1 C1 C2 N2 0.2(5) . . . . ?
P1 C1 C2 N2 -176.8(3) . . . . ?
N1 C3 C4 C5 12.3(6) . . . . ?
N2 C3 C4 C5 -168.9(4) . . . . ?
N1 C3 C4 C6 137.0(4) . . . . ?
N2 C3 C4 C6 -44.2(5) . . . . ?
C12 C7 C8 C9 -0.9(6) . . . . ?
P1 C7 C8 C9 -179.1(3) . . . . ?
C7 C8 C9 C10 1.0(7) . . . . ?
C8 C9 C10 C11 -0.8(7) . . . . ?
C9 C10 C11 C12 0.5(7) . . . . ?
C10 C11 C12 C7 -0.4(7) . . . . ?
C8 C7 C12 C11 0.6(6) . . . . ?
P1 C7 C12 C11 178.8(3) . . . . ?
C18 C13 C14 C15 -2.0(6) . . . . ?
P1 C13 C14 C15 176.2(3) . . . . ?
C13 C14 C15 C16 1.4(7) . . . . ?
C14 C15 C16 C17 -0.4(7) . . . . ?
C15 C16 C17 C18 -0.1(7) . . . . ?
C14 C13 C18 C17 1.5(6) . . . . ?
P1 C13 C18 C17 -176.7(3) . . . . ?
C16 C17 C18 C13 -0.5(6) . . . . ?
N2 C3 N1 C1 -0.4(4) . . . . ?
C4 C3 N1 C1 178.5(4) . . . . ?
C2 C1 N1 C3 0.1(4) . . . . ?
P1 C1 N1 C3 177.4(3) . . . . ?
C1 C2 N2 C3 -0.5(4) . . . . ?
N1 C3 N2 C2 0.6(4) . . . . ?
C4 C3 N2 C2 -178.4(4) . . . . ?
C2 C1 P1 C7 -2.8(4) . . . . ?
N1 C1 P1 C7 -179.5(3) . . . . ?
C2 C1 P1 C13 -113.3(4) . . . . ?
N1 C1 P1 C13 70.0(3) . . . . ?
C2 C1 P1 Au1 120.3(4) . . . . ?
N1 C1 P1 Au1 -56.4(3) . . . . ?
C12 C7 P1 C1 114.3(3) . . . . ?
C8 C7 P1 C1 -67.5(4) . . . . ?
C12 C7 P1 C13 -135.2(3) . . . . ?
C8 C7 P1 C13 43.0(4) . . . . ?
C12 C7 P1 Au1 -8.9(4) . . . . ?
C8 C7 P1 Au1 169.3(3) . . . . ?
C18 C13 P1 C1 -160.1(3) . . . . ?
C14 C13 P1 C1 21.7(4) . . . . ?
C18 C13 P1 C7 88.5(3) . . . . ?
C14 C13 P1 C7 -89.7(4) . . . . ?
C18 C13 P1 Au1 -35.7(4) . . . . ?
C14 C13 P1 Au1 146.1(3) . . . . ?
Cl1 Au1 P1 C1 -77.0(9) . . . . ?
Cl1 Au1 P1 C7 42.4(9) . . . . ?
Cl1 Au1 P1 C13 162.7(9) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 N1 0.88 2.20 3.047(5) 161.1 4_566

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        30.51
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.931
_refine_diff_density_min         -0.793
_refine_diff_density_rms         0.128

# Attachment 'B902748C_opus710_final.cif'

data_opus_710
_database_code_depnum_ccdc_archive 'CCDC 719960'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H58 Au2 Cl2 N12 O1 P2'
_chemical_formula_weight         1201.72

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

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                   18.0300(16)
_cell_length_b                   10.1183(8)
_cell_length_c                   27.197(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.865(11)
_cell_angle_gamma                90.00
_cell_volume                     4902.4(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    7768
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      23.35

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.35
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2352
_exptl_absorpt_coefficient_mu    6.192
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.293
_exptl_absorpt_correction_T_max  0.735
_exptl_absorpt_process_details   delabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      193(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  'Stoe IPDS'
_diffrn_measurement_method       '\f oscillation scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         50-200
_diffrn_standards_interval_count 'every image'
_diffrn_standards_interval_time  18
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31186
_diffrn_reflns_av_R_equivalents  0.1352
_diffrn_reflns_av_sigmaI/netI    0.1746
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.29
_diffrn_reflns_theta_max         25.02
_reflns_number_total             4322
_reflns_number_gt                2131
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'IPDS (Stoe, 1999)'
_computing_cell_refinement       'IPDS (Stoe, 1999)'
_computing_data_reduction        'X-RED (Stoe, 1999)'
_computing_structure_solution    'SIR-97 (Altomare, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_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^)+(0.0588P)^2^+0.0000P] 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         4322
_refine_ls_number_parameters     246
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.1337
_refine_ls_R_factor_gt           0.0746
_refine_ls_wR_factor_ref         0.1616
_refine_ls_wR_factor_gt          0.1451
_refine_ls_goodness_of_fit_ref   0.928
_refine_ls_restrained_S_all      0.926
_refine_ls_shift/su_max          0.021
_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
Au1 Au 0.31778(4) 0.67384(8) 0.50115(3) 0.0475(2) Uani 1 1 d . . .
C1 C 0.2003(9) 0.7206(15) 0.3945(6) 0.038(4) Uani 1 1 d . A .
C2 C 0.1666(11) 0.7259(18) 0.3462(7) 0.051(5) Uani 1 1 d . . .
H2A H 0.1845 0.6871 0.3184 0.061 Uiso 1 1 calc R . .
C3 C 0.0966(10) 0.836(2) 0.3922(6) 0.049(4) Uani 1 1 d . . .
C4 C 0.2734(10) 0.4643(17) 0.4032(6) 0.045(4) Uani 1 1 d . A .
C5 C 0.2846(10) 0.3592(17) 0.4358(7) 0.052(5) Uani 1 1 d . A .
H5A H 0.2976 0.3632 0.4710 0.062 Uiso 1 1 calc R . .
C6 C 0.2552(14) 0.2923(17) 0.3588(8) 0.069(6) Uani 1 1 d . A .
C7 C 0.3539(9) 0.6950(18) 0.3827(6) 0.047(4) Uani 1 1 d . A .
C8 C 0.3814(12) 0.6385(17) 0.3439(7) 0.061(6) Uani 1 1 d . . .
H8A H 0.3675 0.5548 0.3294 0.073 Uiso 1 1 calc R . .
C9 C 0.4385(12) 0.825(3) 0.3602(8) 0.077(6) Uani 1 1 d . . .
C10 C 0.0336(12) 0.915(2) 0.4031(9) 0.080(7) Uani 1 1 d . . .
H10A H -0.0010 0.9278 0.3710 0.096 Uiso 1 1 calc R . .
C11 C -0.0111(18) 0.842(3) 0.4389(14) 0.169(16) Uani 1 1 d . . .
H11A H 0.0222 0.8215 0.4700 0.203 Uiso 1 1 calc R . .
H11B H -0.0317 0.7598 0.4234 0.203 Uiso 1 1 calc R . .
H11C H -0.0523 0.8984 0.4462 0.203 Uiso 1 1 calc R . .
C12 C 0.0594(16) 1.055(3) 0.4229(11) 0.120(11) Uani 1 1 d . . .
H12A H 0.0828 1.1012 0.3977 0.144 Uiso 1 1 calc R . .
H12B H 0.0958 1.0455 0.4534 0.144 Uiso 1 1 calc R . .
H12C H 0.0158 1.1048 0.4300 0.144 Uiso 1 1 calc R . .
C13 C 0.235(2) 0.202(2) 0.3142(11) 0.138(13) Uani 1 1 d D . .
C14 C 0.248(4) 0.057(4) 0.329(2) 0.15(3) Uiso 0.50 1 d PD A 1
H14A H 0.2352 0.0004 0.2998 0.224 Uiso 0.50 1 calc PR A 1
H14B H 0.2164 0.0330 0.3541 0.224 Uiso 0.50 1 calc PR A 1
H14C H 0.3010 0.0437 0.3432 0.224 Uiso 0.50 1 calc PR A 1
C15 C 0.238(3) 0.269(5) 0.2646(14) 0.102(17) Uiso 0.50 1 d PD A 1
H15A H 0.2889 0.3031 0.2642 0.122 Uiso 0.50 1 calc PR A 1
H15B H 0.2021 0.3416 0.2599 0.122 Uiso 0.50 1 calc PR A 1
H15C H 0.2259 0.2042 0.2377 0.122 Uiso 0.50 1 calc PR A 1
C14B C 0.304(4) 0.177(11) 0.289(3) 0.23(4) Uiso 0.50 1 d PD A 2
H14D H 0.2901 0.1179 0.2606 0.347 Uiso 0.50 1 calc PR A 2
H14E H 0.3433 0.1361 0.3129 0.347 Uiso 0.50 1 calc PR A 2
H14F H 0.3219 0.2611 0.2775 0.347 Uiso 0.50 1 calc PR A 2
C15B C 0.184(3) 0.087(4) 0.321(2) 0.100(17) Uiso 0.50 1 d PD A 2
H15D H 0.1393 0.1189 0.3345 0.120 Uiso 0.50 1 calc PR A 2
H15E H 0.2108 0.0235 0.3450 0.120 Uiso 0.50 1 calc PR A 2
H15F H 0.1679 0.0426 0.2894 0.120 Uiso 0.50 1 calc PR A 2
C16 C 0.4900(19) 0.942(3) 0.3583(13) 0.124(11) Uani 1 1 d D . .
H16 H 0.4595 1.0133 0.3712 0.148 Uiso 1 1 calc R . .
C17 C 0.492(4) 0.994(8) 0.3061(17) 0.41(5) Uiso 1 1 d D . .
H17A H 0.5256 1.0706 0.3078 0.609 Uiso 1 1 calc R . .
H17B H 0.4415 1.0198 0.2907 0.609 Uiso 1 1 calc R . .
H17C H 0.5108 0.9243 0.2861 0.609 Uiso 1 1 calc R . .
C18 C 0.555(3) 0.932(6) 0.4014(17) 0.27(3) Uiso 1 1 d D . .
H18A H 0.5878 1.0089 0.4011 0.406 Uiso 1 1 calc R . .
H18B H 0.5834 0.8511 0.3978 0.406 Uiso 1 1 calc R . .
H18C H 0.5349 0.9294 0.4329 0.406 Uiso 1 1 calc R . .
N1 N 0.1550(8) 0.7903(12) 0.4217(5) 0.046(3) Uani 1 1 d U . .
N2 N 0.1039(9) 0.7955(13) 0.3452(5) 0.051(4) Uani 1 1 d . . .
H2 H 0.0718 0.8131 0.3182 0.061 Uiso 1 1 calc R . .
N3 N 0.2547(9) 0.4226(13) 0.3552(6) 0.051(3) Uani 1 1 d U . .
N4 N 0.2734(10) 0.2505(15) 0.4076(7) 0.070(5) Uani 1 1 d . . .
H4 H 0.2770 0.1681 0.4182 0.084 Uiso 1 1 calc R A .
N5 N 0.3912(8) 0.8125(14) 0.3940(5) 0.050(2) Uani 1 1 d U . .
N6 N 0.4321(10) 0.7230(16) 0.3295(6) 0.068(5) Uani 1 1 d . . .
H6 H 0.4566 0.7120 0.3042 0.081 Uiso 1 1 calc R . .
P1 P 0.2864(3) 0.6359(4) 0.41927(15) 0.0367(10) Uani 1 1 d . . .
Cl1 Cl 0.4731(7) 0.3548(10) 0.2608(4) 0.082(4) Uani 0.50 1 d P . .
Cl2 Cl 0.3313(6) 0.0043(8) 0.4641(4) 0.063(3) Uani 0.50 1 d P . .
O1 O 0.5000 0.650(2) 0.2500 0.192(19) Uani 1 2 d S . .

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 0.0418(4) 0.0571(4) 0.0424(3) -0.0038(5) 0.0032(2) 0.0151(5)
C1 0.035(10) 0.031(9) 0.051(10) -0.001(7) 0.014(8) -0.001(7)
C2 0.052(12) 0.047(11) 0.054(11) -0.005(9) 0.009(9) 0.000(10)
C3 0.044(11) 0.040(10) 0.061(11) 0.001(10) 0.003(8) -0.014(11)
C4 0.053(12) 0.035(10) 0.049(10) -0.003(8) 0.010(9) 0.007(9)
C5 0.054(12) 0.047(13) 0.053(11) 0.009(9) 0.001(9) 0.004(9)
C6 0.12(2) 0.028(12) 0.067(13) -0.007(9) 0.032(13) -0.011(11)
C7 0.042(10) 0.046(12) 0.056(10) -0.004(9) 0.017(8) -0.001(9)
C8 0.089(16) 0.037(12) 0.063(12) 0.002(9) 0.032(11) -0.013(10)
C9 0.073(15) 0.069(14) 0.097(16) 0.003(16) 0.038(12) -0.018(15)
C10 0.044(14) 0.092(18) 0.093(17) -0.022(14) -0.021(12) 0.037(13)
C11 0.13(3) 0.11(3) 0.30(5) -0.03(3) 0.13(3) 0.04(2)
C12 0.12(2) 0.10(2) 0.14(2) -0.022(18) -0.004(19) 0.072(19)
C13 0.21(4) 0.08(2) 0.13(2) -0.060(18) 0.03(2) -0.07(2)
C16 0.15(3) 0.062(18) 0.16(3) 0.003(18) 0.04(2) -0.043(19)
N1 0.054(6) 0.017(5) 0.067(6) -0.002(4) 0.012(5) -0.010(5)
N2 0.055(10) 0.036(10) 0.054(9) -0.002(7) -0.012(7) -0.001(8)
N3 0.060(6) 0.024(5) 0.071(6) -0.002(5) 0.012(5) -0.009(5)
N4 0.085(14) 0.025(9) 0.106(15) -0.028(10) 0.030(11) -0.009(9)
N5 0.058(6) 0.023(5) 0.071(6) -0.004(5) 0.013(5) -0.012(5)
N6 0.081(13) 0.055(11) 0.077(12) -0.018(9) 0.043(10) -0.018(9)
P1 0.043(3) 0.028(2) 0.040(2) 0.0005(18) 0.0072(19) 0.0044(19)
Cl1 0.111(13) 0.053(7) 0.066(8) 0.003(5) -0.037(7) 0.003(6)
Cl2 0.091(8) 0.020(4) 0.087(7) 0.004(5) 0.045(6) 0.004(5)
O1 0.37(5) 0.039(15) 0.24(3) 0.000 0.25(4) 0.000

_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 2.111(15) 7_566 ?
Au1 P1 2.245(4) . ?
Au1 Au1 2.8821(15) 7_566 ?
C1 C2 1.36(2) . ?
C1 N1 1.38(2) . ?
C1 P1 1.810(17) . ?
C2 N2 1.33(2) . ?
C2 H2A 0.9500 . ?
C3 N1 1.30(2) . ?
C3 N2 1.37(2) . ?
C3 C10 1.46(3) . ?
C4 N3 1.36(2) . ?
C4 C5 1.38(2) . ?
C4 P1 1.798(18) . ?
C5 N4 1.34(2) . ?
C5 H5A 0.9500 . ?
C6 N3 1.32(2) . ?
C6 N4 1.38(3) . ?
C6 C13 1.52(3) . ?
C7 C8 1.36(2) . ?
C7 N5 1.38(2) . ?
C7 P1 1.789(16) . ?
C8 N6 1.35(2) . ?
C8 H8A 0.9500 . ?
C9 N6 1.32(3) . ?
C9 N5 1.35(2) . ?
C9 C16 1.51(3) . ?
C10 C12 1.56(3) . ?
C10 C11 1.54(4) . ?
C10 H10A 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C15 1.516(19) . ?
C13 C15B 1.522(19) . ?
C13 C14B 1.53(2) . ?
C13 C14 1.54(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C15B H15F 0.9800 . ?
C16 C17 1.52(2) . ?
C16 C18 1.527(19) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
N1 Au1 2.112(15) 7_566 ?
N2 H2 0.8800 . ?
N4 H4 0.8800 . ?
N6 H6 0.8800 . ?
Cl1 Cl1 1.21(2) 2_655 ?

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 178.9(4) 7_566 . ?
N1 Au1 Au1 89.8(4) 7_566 7_566 ?
P1 Au1 Au1 89.25(12) . 7_566 ?
C2 C1 N1 106.5(15) . . ?
C2 C1 P1 127.4(14) . . ?
N1 C1 P1 126.0(13) . . ?
N2 C2 C1 107.0(16) . . ?
N2 C2 H2A 126.5 . . ?
C1 C2 H2A 126.5 . . ?
N1 C3 N2 106.5(16) . . ?
N1 C3 C10 130.5(17) . . ?
N2 C3 C10 123.0(17) . . ?
N3 C4 C5 111.5(15) . . ?
N3 C4 P1 122.4(13) . . ?
C5 C4 P1 126.0(14) . . ?
N4 C5 C4 105.8(16) . . ?
N4 C5 H5A 127.1 . . ?
C4 C5 H5A 127.1 . . ?
N3 C6 N4 112.0(17) . . ?
N3 C6 C13 123(2) . . ?
N4 C6 C13 125.2(18) . . ?
C8 C7 N5 108.2(15) . . ?
C8 C7 P1 130.6(15) . . ?
N5 C7 P1 121.0(12) . . ?
N6 C8 C7 107.5(16) . . ?
N6 C8 H8A 126.2 . . ?
C7 C8 H8A 126.2 . . ?
N6 C9 N5 110.7(19) . . ?
N6 C9 C16 126(2) . . ?
N5 C9 C16 124(2) . . ?
C3 C10 C12 112(2) . . ?
C3 C10 C11 111(2) . . ?
C12 C10 C11 112(2) . . ?
C3 C10 H10A 107.2 . . ?
C12 C10 H10A 107.2 . . ?
C11 C10 H10A 107.2 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C15 C13 C6 114(3) . . ?
C15 C13 C15B 124(3) . . ?
C6 C13 C15B 116(3) . . ?
C15 C13 C14B 62(4) . . ?
C6 C13 C14B 110(5) . . ?
C15B C13 C14B 119(5) . . ?
C15 C13 C14 129(4) . . ?
C6 C13 C14 111(3) . . ?
C15B C13 C14 46(3) . . ?
C14B C13 C14 82(5) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C14B H14D 109.5 . . ?
C13 C14B H14E 109.5 . . ?
H14D C14B H14E 109.5 . . ?
C13 C14B H14F 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
C13 C15B H15D 109.5 . . ?
C13 C15B H15E 109.5 . . ?
H15D C15B H15E 109.5 . . ?
C13 C15B H15F 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
C9 C16 C17 114(4) . . ?
C9 C16 C18 109(3) . . ?
C17 C16 C18 128(4) . . ?
C9 C16 H16 100.2 . . ?
C17 C16 H16 100.2 . . ?
C18 C16 H16 100.2 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.6 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.4 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.4 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C3 N1 C1 109.9(15) . . ?
C3 N1 Au1 126.3(12) . 7_566 ?
C1 N1 Au1 123.7(12) . 7_566 ?
C2 N2 C3 110.1(15) . . ?
C2 N2 H2 125.0 . . ?
C3 N2 H2 125.0 . . ?
C6 N3 C4 103.9(16) . . ?
C5 N4 C6 106.9(16) . . ?
C5 N4 H4 126.6 . . ?
C6 N4 H4 126.6 . . ?
C9 N5 C7 105.5(16) . . ?
C9 N6 C8 108.0(16) . . ?
C9 N6 H6 126.0 . . ?
C8 N6 H6 126.0 . . ?
C7 P1 C4 105.2(8) . . ?
C7 P1 C1 104.6(8) . . ?
C4 P1 C1 107.1(8) . . ?
C7 P1 Au1 113.9(6) . . ?
C4 P1 Au1 114.2(6) . . ?
C1 P1 Au1 111.0(6) . . ?

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
N1 C1 C2 N2 -0.2(19) . . . . ?
P1 C1 C2 N2 178.4(12) . . . . ?
N3 C4 C5 N4 1(2) . . . . ?
P1 C4 C5 N4 -175.8(14) . . . . ?
N5 C7 C8 N6 -3(2) . . . . ?
P1 C7 C8 N6 -179.3(15) . . . . ?
N1 C3 C10 C12 65(3) . . . . ?
N2 C3 C10 C12 -115(2) . . . . ?
N1 C3 C10 C11 -61(3) . . . . ?
N2 C3 C10 C11 120(2) . . . . ?
N3 C6 C13 C15 19(5) . . . . ?
N4 C6 C13 C15 -164(3) . . . . ?
N3 C6 C13 C15B -136(4) . . . . ?
N4 C6 C13 C15B 41(5) . . . . ?
N3 C6 C13 C14B 86(5) . . . . ?
N4 C6 C13 C14B -97(5) . . . . ?
N3 C6 C13 C14 174(4) . . . . ?
N4 C6 C13 C14 -8(5) . . . . ?
N6 C9 C16 C17 42(5) . . . . ?
N5 C9 C16 C17 -137(4) . . . . ?
N6 C9 C16 C18 -107(4) . . . . ?
N5 C9 C16 C18 74(4) . . . . ?
N2 C3 N1 C1 -0.1(19) . . . . ?
C10 C3 N1 C1 -180(2) . . . . ?
N2 C3 N1 Au1 176.0(10) . . . 7_566 ?
C10 C3 N1 Au1 -3(3) . . . 7_566 ?
C2 C1 N1 C3 0.2(19) . . . . ?
P1 C1 N1 C3 -178.4(13) . . . . ?
C2 C1 N1 Au1 -176.1(11) . . . 7_566 ?
P1 C1 N1 Au1 5.4(19) . . . 7_566 ?
C1 C2 N2 C3 0(2) . . . . ?
N1 C3 N2 C2 0(2) . . . . ?
C10 C3 N2 C2 179.5(19) . . . . ?
N4 C6 N3 C4 0(3) . . . . ?
C13 C6 N3 C4 178(2) . . . . ?
C5 C4 N3 C6 0(2) . . . . ?
P1 C4 N3 C6 176.1(15) . . . . ?
C4 C5 N4 C6 0(2) . . . . ?
N3 C6 N4 C5 0(3) . . . . ?
C13 C6 N4 C5 -177(2) . . . . ?
N6 C9 N5 C7 0(2) . . . . ?
C16 C9 N5 C7 179(2) . . . . ?
C8 C7 N5 C9 2(2) . . . . ?
P1 C7 N5 C9 178.6(14) . . . . ?
N5 C9 N6 C8 -2(3) . . . . ?
C16 C9 N6 C8 179(2) . . . . ?
C7 C8 N6 C9 3(2) . . . . ?
C8 C7 P1 C4 12(2) . . . . ?
N5 C7 P1 C4 -163.9(14) . . . . ?
C8 C7 P1 C1 -100.9(19) . . . . ?
N5 C7 P1 C1 83.4(15) . . . . ?
C8 C7 P1 Au1 137.7(17) . . . . ?
N5 C7 P1 Au1 -38.0(16) . . . . ?
N3 C4 P1 C7 -53.9(17) . . . . ?
C5 C4 P1 C7 122.1(17) . . . . ?
N3 C4 P1 C1 57.1(17) . . . . ?
C5 C4 P1 C1 -126.9(17) . . . . ?
N3 C4 P1 Au1 -179.5(13) . . . . ?
C5 C4 P1 Au1 -3.5(19) . . . . ?
C2 C1 P1 C7 53.0(17) . . . . ?
N1 C1 P1 C7 -128.7(14) . . . . ?
C2 C1 P1 C4 -58.4(17) . . . . ?
N1 C1 P1 C4 119.9(14) . . . . ?
C2 C1 P1 Au1 176.3(14) . . . . ?
N1 C1 P1 Au1 -5.4(15) . . . . ?
N1 Au1 P1 C7 151(19) 7_566 . . . ?
Au1 Au1 P1 C7 120.3(7) 7_566 . . . ?
N1 Au1 P1 C4 -88(19) 7_566 . . . ?
Au1 Au1 P1 C4 -118.7(7) 7_566 . . . ?
N1 Au1 P1 C1 33(19) 7_566 . . . ?
Au1 Au1 P1 C1 2.5(6) 7_566 . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.229
_refine_diff_density_min         -1.939
_refine_diff_density_rms         0.197


# Attachment 'B902748C_kp240409.cif'

data_kp240409
_database_code_depnum_ccdc_archive 'CCDC 732649'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H29.75 Au Cl3 N6 O1.75 P Zn'
_chemical_formula_weight         769.89

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

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                   15.5095(2)
_cell_length_b                   11.4230(2)
_cell_length_c                   20.6302(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.2426(13)
_cell_angle_gamma                90.00
_cell_volume                     3542.61(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    183(2)
_cell_measurement_reflns_used    12019
_cell_measurement_theta_min      2.2346
_cell_measurement_theta_max      32.7505

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1499
_exptl_absorpt_coefficient_mu    5.105
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4074
_exptl_absorpt_correction_T_max  0.6036
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
(compiled Feb 27 2009,15:38:38)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      183(2)
_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Xcalibur Ruby CCD'
_diffrn_measurement_method       '\o oscillation scan'
_diffrn_detector_area_resol_mean 10.4498
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            35135
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0530
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.24
_diffrn_reflns_theta_max         29.13
_reflns_number_total             9542
_reflns_number_gt                5385
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis RED (Oxford, 2007)'
_computing_cell_refinement       'CrysAlis RED (Oxford, 2007)'
_computing_data_reduction        'CrysAlis RED (Oxford, 2007)'
_computing_structure_solution    'SIR-97 (Altomare, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_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^)+(0.0979P)^2^+0.0000P] 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         9542
_refine_ls_number_parameters     341
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0943
_refine_ls_R_factor_gt           0.0471
_refine_ls_wR_factor_ref         0.1592
_refine_ls_wR_factor_gt          0.1445
_refine_ls_goodness_of_fit_ref   0.933
_refine_ls_restrained_S_all      0.935
_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 -0.1349(4) 1.0678(5) 0.2745(3) 0.0415(13) Uani 1 1 d . A .
C2 C -0.0972(4) 1.1580(5) 0.3152(3) 0.0473(14) Uani 1 1 d . A .
H2A H -0.0355 1.1740 0.3314 0.057 Uiso 1 1 calc R . .
C3 C -0.2431(5) 1.1697(6) 0.2949(4) 0.0608(17) Uani 1 1 d . B .
C4 C -0.1386(4) 0.8251(5) 0.2623(3) 0.0445(13) Uani 1 1 d . A .
C5 C -0.1030(5) 0.7304(6) 0.3005(3) 0.0577(17) Uani 1 1 d . A .
H5A H -0.0417 0.7137 0.3181 0.069 Uiso 1 1 calc R . .
C6 C -0.2498(5) 0.7199(6) 0.2763(4) 0.0629(18) Uani 1 1 d . B .
C7 C -0.1332(4) 0.9658(5) 0.1529(3) 0.0456(14) Uani 1 1 d . A .
C8 C -0.0969(4) 0.9797(6) 0.1005(3) 0.0566(16) Uani 1 1 d . A .
H8A H -0.0354 0.9791 0.1014 0.068 Uiso 1 1 calc R . .
C9 C -0.2412(4) 0.9897(7) 0.0650(3) 0.0646(18) Uani 1 1 d . A .
C10 C -0.3358(6) 1.2087(8) 0.2977(4) 0.092(3) Uani 1 1 d D . .
C13 C -0.3403(6) 0.6748(9) 0.2794(5) 0.095(3) Uani 1 1 d . . .
H13A H -0.3263 0.6005 0.3054 0.114 Uiso 1 1 calc R . .
C14 C -0.3815(7) 0.7479(11) 0.3216(6) 0.125(4) Uani 1 1 d . . .
H14A H -0.3362 0.7984 0.3496 0.188 Uiso 1 1 calc R . .
H14B H -0.4078 0.6978 0.3502 0.188 Uiso 1 1 calc R . .
H14C H -0.4280 0.7963 0.2934 0.188 Uiso 1 1 calc R . .
C15 C -0.3882(7) 0.6341(11) 0.2116(7) 0.139(5) Uani 1 1 d . . .
H15A H -0.4488 0.6105 0.2122 0.209 Uiso 1 1 calc R . .
H15B H -0.3567 0.5672 0.1986 0.209 Uiso 1 1 calc R . .
H15C H -0.3908 0.6978 0.1793 0.209 Uiso 1 1 calc R . .
C16 C -0.3342(6) 1.0035(8) 0.0183(4) 0.092(3) Uani 1 1 d D . .
Au1 Au 0.061949(15) 0.93986(3) 0.274697(12) 0.06060(13) Uani 1 1 d . A .
Cl1 Cl -0.13174(10) 1.45518(12) 0.40542(8) 0.0504(4) Uani 1 1 d . . .
Cl4 Cl -0.44390(10) 0.96129(16) 0.16983(9) 0.0630(4) Uani 1 1 d . . .
Cl5 Cl 0.20953(13) 0.9225(3) 0.31808(13) 0.1381(13) Uani 1 1 d . . .
N1 N -0.2260(3) 1.0766(4) 0.2630(3) 0.0507(13) Uani 1 1 d . . .
N2 N -0.1660(4) 1.2201(5) 0.3276(3) 0.0595(14) Uani 1 1 d . . .
H2 H -0.1611 1.2830 0.3529 0.071 Uiso 1 1 calc R B .
N3 N -0.2304(3) 0.8183(4) 0.2482(2) 0.0505(12) Uani 1 1 d . . .
N4 N -0.1734(5) 0.6649(5) 0.3081(3) 0.0704(17) Uani 1 1 d . . .
H4A H -0.1699 0.5982 0.3300 0.085 Uiso 1 1 calc R B .
N5 N -0.2259(3) 0.9710(5) 0.1300(2) 0.0523(13) Uani 1 1 d . . .
N6 N -0.1660(4) 0.9946(6) 0.0460(3) 0.0666(15) Uani 1 1 d . . .
H6A H -0.1613 1.0058 0.0048 0.080 Uiso 1 1 calc R A .
P1 P -0.08384(10) 0.95113(13) 0.23987(7) 0.0396(3) Uani 1 1 d . . .
Zn1 Zn -0.29957(4) 0.95618(6) 0.19906(4) 0.04860(19) Uani 1 1 d . A .
C17A C -0.3762(16) 1.1180(17) 0.0290(13) 0.115(7) Uiso 0.50 1 d PD A 1
H17A H -0.3398 1.1826 0.0191 0.173 Uiso 0.50 1 calc PR A 1
H17B H -0.3801 1.1235 0.0756 0.173 Uiso 0.50 1 calc PR A 1
H17C H -0.4360 1.1227 -0.0007 0.173 Uiso 0.50 1 calc PR A 1
C17B C -0.3503(14) 0.9227(16) -0.0399(10) 0.106(7) Uani 0.50 1 d PD A 1
H17D H -0.3419 0.8416 -0.0239 0.158 Uiso 0.50 1 calc PR A 1
H17E H -0.3082 0.9402 -0.0671 0.158 Uiso 0.50 1 calc PR A 1
H17F H -0.4112 0.9328 -0.0670 0.158 Uiso 0.50 1 calc PR A 1
C18A C -0.3859(11) 0.8910(16) 0.0039(11) 0.099(6) Uani 0.50 1 d PD A 2
H18A H -0.3925 0.8567 0.0459 0.149 Uiso 0.50 1 calc PR A 2
H18B H -0.3540 0.8362 -0.0184 0.149 Uiso 0.50 1 calc PR A 2
H18C H -0.4448 0.9070 -0.0253 0.149 Uiso 0.50 1 calc PR A 2
C18B C -0.349(2) 1.1338(14) 0.0010(14) 0.159(12) Uiso 0.50 1 d PD A 2
H18D H -0.3054 1.1606 -0.0226 0.238 Uiso 0.50 1 calc PR A 2
H18E H -0.3431 1.1791 0.0422 0.238 Uiso 0.50 1 calc PR A 2
H18F H -0.4094 1.1448 -0.0277 0.238 Uiso 0.50 1 calc PR A 2
C11A C -0.3835(11) 1.2629(15) 0.2323(9) 0.093(6) Uani 0.50 1 d PDU B 3
H11A H -0.3854 1.2070 0.1960 0.139 Uiso 0.50 1 calc PR B 3
H11B H -0.3518 1.3337 0.2244 0.139 Uiso 0.50 1 calc PR B 3
H11C H -0.4443 1.2834 0.2339 0.139 Uiso 0.50 1 calc PR B 3
C12A C -0.346(2) 1.232(3) 0.3680(10) 0.169(11) Uiso 0.50 1 d PDU B 3
H12A H -0.2924 1.2701 0.3944 0.254 Uiso 0.50 1 calc PR B 3
H12B H -0.3549 1.1572 0.3891 0.254 Uiso 0.50 1 calc PR B 3
H12C H -0.3977 1.2824 0.3657 0.254 Uiso 0.50 1 calc PR B 3
C11B C -0.3666(13) 1.1450(17) 0.3484(9) 0.096(5) Uiso 0.50 1 d PDU B 4
H11D H -0.3213 1.1488 0.3909 0.144 Uiso 0.50 1 calc PR B 4
H11E H -0.3773 1.0631 0.3347 0.144 Uiso 0.50 1 calc PR B 4
H11F H -0.4220 1.1801 0.3540 0.144 Uiso 0.50 1 calc PR B 4
C12B C -0.3534(13) 1.3321(14) 0.2861(15) 0.138(10) Uani 0.50 1 d PDU B 4
H12D H -0.3438 1.3537 0.2424 0.206 Uiso 0.50 1 calc PR B 4
H12E H -0.3132 1.3775 0.3212 0.206 Uiso 0.50 1 calc PR B 4
H12F H -0.4152 1.3488 0.2867 0.206 Uiso 0.50 1 calc PR B 4
O1 O -0.151(2) 0.912(2) 0.4439(8) 0.121(11) Uani 0.25 1 d P . .
O2 O 0.1204(17) 1.1729(14) 0.4573(10) 0.240(14) Uani 0.50 1 d P . .
O3 O 0.1300(14) 0.7324(15) 0.3861(11) 0.167(7) Uani 0.50 1 d PD . .
O4 O -0.536(3) 1.421(2) 0.006(3) 0.35(3) Uani 0.50 1 d PD . .
C20 C -0.449(3) 1.463(4) 0.0430(18) 0.195(18) Uani 0.50 1 d PD . .
C19 C 0.105(2) 0.786(3) 0.4450(12) 0.192(16) Uani 0.50 1 d PD . .

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 0.031(3) 0.047(3) 0.048(3) 0.000(3) 0.010(2) 0.001(2)
C2 0.042(3) 0.046(3) 0.053(3) 0.003(3) 0.011(2) 0.000(3)
C3 0.053(4) 0.059(4) 0.075(4) -0.005(4) 0.023(3) 0.012(3)
C4 0.040(3) 0.046(3) 0.047(3) -0.006(3) 0.009(2) 0.000(3)
C5 0.055(4) 0.054(4) 0.060(4) -0.006(3) 0.007(3) 0.003(3)
C6 0.060(4) 0.061(4) 0.066(4) -0.007(4) 0.012(3) -0.019(4)
C7 0.028(3) 0.064(4) 0.048(3) 0.001(3) 0.014(2) 0.004(2)
C8 0.041(3) 0.085(5) 0.046(3) 0.005(3) 0.016(3) 0.007(3)
C9 0.040(4) 0.093(5) 0.060(4) 0.010(4) 0.010(3) 0.002(4)
C10 0.077(6) 0.115(7) 0.092(6) -0.009(5) 0.035(5) 0.047(5)
C13 0.086(6) 0.106(7) 0.095(6) -0.018(5) 0.025(5) -0.053(6)
C14 0.089(7) 0.172(11) 0.127(9) 0.007(8) 0.050(7) -0.040(7)
C15 0.094(8) 0.130(10) 0.181(12) -0.012(9) 0.011(8) -0.028(7)
C16 0.064(5) 0.116(7) 0.083(6) 0.029(6) -0.006(4) 0.016(5)
Au1 0.02672(13) 0.1032(3) 0.05234(16) -0.00405(13) 0.01066(9) 0.00577(12)
Cl1 0.0497(8) 0.0520(9) 0.0521(8) -0.0055(6) 0.0176(6) -0.0039(6)
Cl4 0.0266(7) 0.0882(12) 0.0732(10) 0.0045(9) 0.0102(6) -0.0014(7)
Cl5 0.0282(9) 0.292(4) 0.0892(15) 0.0017(19) 0.0060(9) 0.0209(14)
N1 0.032(3) 0.064(3) 0.059(3) -0.006(3) 0.016(2) 0.002(2)
N2 0.065(4) 0.046(3) 0.070(3) -0.013(3) 0.022(3) 0.000(3)
N3 0.038(3) 0.055(3) 0.058(3) -0.002(2) 0.010(2) -0.005(2)
N4 0.083(4) 0.054(3) 0.071(4) 0.003(3) 0.013(3) -0.017(3)
N5 0.032(3) 0.078(4) 0.047(3) 0.003(3) 0.010(2) 0.005(2)
N6 0.052(3) 0.106(5) 0.044(3) 0.012(3) 0.017(2) 0.008(3)
P1 0.0270(7) 0.0503(9) 0.0424(7) -0.0018(6) 0.0103(5) 0.0034(6)
Zn1 0.0263(3) 0.0662(5) 0.0536(4) -0.0017(3) 0.0103(3) -0.0005(3)
C17B 0.062(12) 0.133(18) 0.104(15) -0.020(13) -0.013(11) 0.004(11)
C18A 0.044(9) 0.147(18) 0.093(13) -0.032(13) -0.009(9) 0.002(10)
C11A 0.050(9) 0.056(10) 0.166(19) 0.003(11) 0.013(10) 0.030(8)
C12B 0.072(13) 0.082(14) 0.28(3) 0.065(17) 0.095(17) 0.036(11)
O1 0.18(3) 0.17(2) 0.018(8) 0.008(11) 0.021(11) -0.10(2)
O2 0.34(3) 0.099(11) 0.177(16) 0.077(11) -0.127(18) -0.063(14)
O3 0.191(19) 0.120(13) 0.183(18) 0.024(12) 0.031(15) 0.025(12)
O4 0.27(4) 0.15(2) 0.71(9) 0.13(4) 0.25(5) -0.01(2)
C20 0.16(3) 0.23(4) 0.15(2) 0.02(2) -0.05(2) 0.07(3)
C19 0.34(5) 0.13(2) 0.095(16) -0.002(16) 0.03(2) 0.00(2)

_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 C2 1.366(8) . ?
C1 N1 1.378(7) . ?
C1 P1 1.786(6) . ?
C2 N2 1.357(8) . ?
C2 H2A 0.9500 . ?
C3 N1 1.313(8) . ?
C3 N2 1.348(9) . ?
C3 C10 1.520(10) . ?
C4 C5 1.372(8) . ?
C4 N3 1.383(7) . ?
C4 P1 1.790(6) . ?
C5 N4 1.364(9) . ?
C5 H5A 0.9500 . ?
C6 N3 1.333(8) . ?
C6 N4 1.360(10) . ?
C6 C13 1.510(11) . ?
C7 C8 1.344(8) . ?
C7 N5 1.400(7) . ?
C7 P1 1.778(6) . ?
C8 N6 1.360(7) . ?
C8 H8A 0.9500 . ?
C9 N6 1.320(8) . ?
C9 N5 1.321(8) . ?
C9 C16 1.533(9) . ?
C10 C12B 1.445(14) . ?
C10 C11B 1.447(14) . ?
C10 C11A 1.504(14) . ?
C10 C12A 1.520(17) . ?
C13 C14 1.463(14) . ?
C13 C15 1.488(14) . ?
C13 H13A 1.0000 . ?
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 C17B 1.486(14) . ?
C16 C17A 1.502(16) . ?
C16 C18A 1.504(15) . ?
C16 C18B 1.535(16) . ?
Au1 P1 2.2014(14) . ?
Au1 Cl5 2.252(2) . ?
Cl4 Zn1 2.1711(16) . ?
N1 Zn1 2.047(5) . ?
N2 H2 0.8800 . ?
N3 Zn1 2.031(5) . ?
N4 H4A 0.8800 . ?
N5 Zn1 2.041(5) . ?
N6 H6A 0.8800 . ?
C17A H17A 0.9800 . ?
C17A H17B 0.9800 . ?
C17A H17C 0.9800 . ?
C17B H17D 0.9800 . ?
C17B H17E 0.9800 . ?
C17B H17F 0.9800 . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18A H18C 0.9800 . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?
C11A H11A 0.9800 . ?
C11A H11B 0.9800 . ?
C11A H11C 0.9800 . ?
C12A H12A 0.9800 . ?
C12A H12B 0.9800 . ?
C12A H12C 0.9800 . ?
C11B H11D 0.9800 . ?
C11B H11E 0.9800 . ?
C11B H11F 0.9800 . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
O3 C19 1.497(17) . ?
O4 C20 1.453(19) . ?
O4 C20 1.65(4) 3_485 ?
C20 O4 1.65(4) 3_485 ?

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
C2 C1 N1 108.5(5) . . ?
C2 C1 P1 130.1(4) . . ?
N1 C1 P1 121.4(4) . . ?
N2 C2 C1 105.8(5) . . ?
N2 C2 H2A 127.1 . . ?
C1 C2 H2A 127.1 . . ?
N1 C3 N2 109.4(6) . . ?
N1 C3 C10 124.5(7) . . ?
N2 C3 C10 126.0(7) . . ?
C5 C4 N3 109.0(5) . . ?
C5 C4 P1 129.3(5) . . ?
N3 C4 P1 121.3(4) . . ?
N4 C5 C4 106.1(6) . . ?
N4 C5 H5A 126.9 . . ?
C4 C5 H5A 126.9 . . ?
N3 C6 N4 109.6(6) . . ?
N3 C6 C13 128.2(7) . . ?
N4 C6 C13 122.1(7) . . ?
C8 C7 N5 108.8(5) . . ?
C8 C7 P1 131.4(5) . . ?
N5 C7 P1 119.7(4) . . ?
C7 C8 N6 106.2(6) . . ?
C7 C8 H8A 126.9 . . ?
N6 C8 H8A 126.9 . . ?
N6 C9 N5 110.9(5) . . ?
N6 C9 C16 125.0(7) . . ?
N5 C9 C16 124.1(7) . . ?
C12B C10 C11B 121.9(14) . . ?
C12B C10 C11A 54.4(13) . . ?
C11B C10 C11A 132.8(12) . . ?
C12B C10 C12A 86.0(17) . . ?
C11B C10 C12A 42.9(13) . . ?
C11A C10 C12A 129.9(14) . . ?
C12B C10 C3 114.9(10) . . ?
C11B C10 C3 111.3(10) . . ?
C11A C10 C3 110.3(9) . . ?
C12A C10 C3 114.1(14) . . ?
C14 C13 C15 123.2(10) . . ?
C14 C13 C6 112.2(7) . . ?
C15 C13 C6 108.7(9) . . ?
C14 C13 H13A 103.4 . . ?
C15 C13 H13A 103.4 . . ?
C6 C13 H13A 103.4 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17B C16 C17A 131.9(13) . . ?
C17B C16 C18A 48.3(11) . . ?
C17A C16 C18A 123.0(14) . . ?
C17B C16 C9 112.8(10) . . ?
C17A C16 C9 111.9(11) . . ?
C18A C16 C9 114.2(9) . . ?
C17B C16 C18B 115.4(13) . . ?
C17A C16 C18B 31.0(14) . . ?
C18A C16 C18B 137.6(15) . . ?
C9 C16 C18B 108.2(13) . . ?
P1 Au1 Cl5 175.41(8) . . ?
C3 N1 C1 107.3(5) . . ?
C3 N1 Zn1 135.9(4) . . ?
C1 N1 Zn1 116.6(4) . . ?
C3 N2 C2 108.9(5) . . ?
C3 N2 H2 125.5 . . ?
C2 N2 H2 125.5 . . ?
C6 N3 C4 106.7(5) . . ?
C6 N3 Zn1 136.3(5) . . ?
C4 N3 Zn1 116.9(4) . . ?
C6 N4 C5 108.6(6) . . ?
C6 N4 H4A 125.7 . . ?
C5 N4 H4A 125.7 . . ?
C9 N5 C7 105.2(5) . . ?
C9 N5 Zn1 137.0(4) . . ?
C7 N5 Zn1 117.8(4) . . ?
C9 N6 C8 108.8(6) . . ?
C9 N6 H6A 125.6 . . ?
C8 N6 H6A 125.6 . . ?
C7 P1 C1 102.1(3) . . ?
C7 P1 C4 102.9(3) . . ?
C1 P1 C4 102.2(3) . . ?
C7 P1 Au1 119.2(2) . . ?
C1 P1 Au1 115.70(18) . . ?
C4 P1 Au1 112.55(19) . . ?
N3 Zn1 N5 95.5(2) . . ?
N3 Zn1 N1 93.3(2) . . ?
N5 Zn1 N1 94.3(2) . . ?
N3 Zn1 Cl4 122.79(15) . . ?
N5 Zn1 Cl4 121.32(14) . . ?
N1 Zn1 Cl4 122.29(15) . . ?
C16 C17A H17A 109.5 . . ?
C16 C17A H17B 109.5 . . ?
H17A C17A H17B 109.5 . . ?
C16 C17A H17C 109.5 . . ?
H17A C17A H17C 109.5 . . ?
H17B C17A H17C 109.5 . . ?
C16 C17B H17D 109.5 . . ?
C16 C17B H17E 109.5 . . ?
H17D C17B H17E 109.5 . . ?
C16 C17B H17F 109.5 . . ?
H17D C17B H17F 109.5 . . ?
H17E C17B H17F 109.5 . . ?
C16 C18A H18A 109.5 . . ?
C16 C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
C16 C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
C16 C18B H18D 109.5 . . ?
C16 C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
C16 C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
C10 C11A H11A 109.5 . . ?
C10 C11A H11B 109.5 . . ?
H11A C11A H11B 109.5 . . ?
C10 C11A H11C 109.5 . . ?
H11A C11A H11C 109.5 . . ?
H11B C11A H11C 109.5 . . ?
C10 C12A H12A 109.5 . . ?
C10 C12A H12B 109.5 . . ?
H12A C12A H12B 109.5 . . ?
C10 C12A H12C 109.5 . . ?
H12A C12A H12C 109.5 . . ?
H12B C12A H12C 109.5 . . ?
C10 C11B H11D 109.5 . . ?
C10 C11B H11E 109.5 . . ?
H11D C11B H11E 109.5 . . ?
C10 C11B H11F 109.5 . . ?
H11D C11B H11F 109.5 . . ?
H11E C11B H11F 109.5 . . ?
C10 C12B H12D 109.5 . . ?
C10 C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C10 C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
C20 O4 C20 91.3(19) . 3_485 ?
O4 C20 O4 88.7(19) . 3_485 ?

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
N1 C1 C2 N2 0.0(7) . . . . ?
P1 C1 C2 N2 -178.9(5) . . . . ?
N3 C4 C5 N4 1.4(7) . . . . ?
P1 C4 C5 N4 174.0(5) . . . . ?
N5 C7 C8 N6 0.7(8) . . . . ?
P1 C7 C8 N6 -175.7(5) . . . . ?
N1 C3 C10 C12B -134.3(16) . . . . ?
N2 C3 C10 C12B 49.9(18) . . . . ?
N1 C3 C10 C11B 82.0(13) . . . . ?
N2 C3 C10 C11B -93.7(13) . . . . ?
N1 C3 C10 C11A -75.1(12) . . . . ?
N2 C3 C10 C11A 109.1(11) . . . . ?
N1 C3 C10 C12A 128.6(16) . . . . ?
N2 C3 C10 C12A -47.2(18) . . . . ?
N3 C6 C13 C14 -67.6(12) . . . . ?
N4 C6 C13 C14 107.2(10) . . . . ?
N3 C6 C13 C15 72.1(12) . . . . ?
N4 C6 C13 C15 -113.1(10) . . . . ?
N6 C9 C16 C17B 53.3(16) . . . . ?
N5 C9 C16 C17B -126.6(13) . . . . ?
N6 C9 C16 C17A -108.3(15) . . . . ?
N5 C9 C16 C17A 71.7(15) . . . . ?
N6 C9 C16 C18A 106.3(13) . . . . ?
N5 C9 C16 C18A -73.7(14) . . . . ?
N6 C9 C16 C18B -75.5(16) . . . . ?
N5 C9 C16 C18B 104.5(14) . . . . ?
N2 C3 N1 C1 -1.0(7) . . . . ?
C10 C3 N1 C1 -177.4(7) . . . . ?
N2 C3 N1 Zn1 -176.2(5) . . . . ?
C10 C3 N1 Zn1 7.4(12) . . . . ?
C2 C1 N1 C3 0.6(7) . . . . ?
P1 C1 N1 C3 179.6(5) . . . . ?
C2 C1 N1 Zn1 176.9(4) . . . . ?
P1 C1 N1 Zn1 -4.1(6) . . . . ?
N1 C3 N2 C2 1.0(8) . . . . ?
C10 C3 N2 C2 177.3(7) . . . . ?
C1 C2 N2 C3 -0.6(7) . . . . ?
N4 C6 N3 C4 0.6(7) . . . . ?
C13 C6 N3 C4 175.9(7) . . . . ?
N4 C6 N3 Zn1 -174.1(5) . . . . ?
C13 C6 N3 Zn1 1.2(12) . . . . ?
C5 C4 N3 C6 -1.2(7) . . . . ?
P1 C4 N3 C6 -174.5(5) . . . . ?
C5 C4 N3 Zn1 174.7(4) . . . . ?
P1 C4 N3 Zn1 1.4(6) . . . . ?
N3 C6 N4 C5 0.3(8) . . . . ?
C13 C6 N4 C5 -175.4(7) . . . . ?
C4 C5 N4 C6 -1.0(8) . . . . ?
N6 C9 N5 C7 1.0(9) . . . . ?
C16 C9 N5 C7 -179.1(7) . . . . ?
N6 C9 N5 Zn1 177.9(5) . . . . ?
C16 C9 N5 Zn1 -2.2(13) . . . . ?
C8 C7 N5 C9 -1.0(8) . . . . ?
P1 C7 N5 C9 175.9(5) . . . . ?
C8 C7 N5 Zn1 -178.7(5) . . . . ?
P1 C7 N5 Zn1 -1.8(7) . . . . ?
N5 C9 N6 C8 -0.5(10) . . . . ?
C16 C9 N6 C8 179.5(7) . . . . ?
C7 C8 N6 C9 -0.2(9) . . . . ?
C8 C7 P1 C1 123.9(7) . . . . ?
N5 C7 P1 C1 -52.2(5) . . . . ?
C8 C7 P1 C4 -130.4(7) . . . . ?
N5 C7 P1 C4 53.5(5) . . . . ?
C8 C7 P1 Au1 -5.0(8) . . . . ?
N5 C7 P1 Au1 178.8(4) . . . . ?
C2 C1 P1 C7 -124.7(6) . . . . ?
N1 C1 P1 C7 56.5(5) . . . . ?
C2 C1 P1 C4 129.0(6) . . . . ?
N1 C1 P1 C4 -49.8(5) . . . . ?
C2 C1 P1 Au1 6.4(6) . . . . ?
N1 C1 P1 Au1 -172.4(4) . . . . ?
C5 C4 P1 C7 134.1(6) . . . . ?
N3 C4 P1 C7 -54.0(5) . . . . ?
C5 C4 P1 C1 -120.2(6) . . . . ?
N3 C4 P1 C1 51.6(5) . . . . ?
C5 C4 P1 Au1 4.6(6) . . . . ?
N3 C4 P1 Au1 176.4(4) . . . . ?
Cl5 Au1 P1 C7 -162.5(12) . . . . ?
Cl5 Au1 P1 C1 75.0(13) . . . . ?
Cl5 Au1 P1 C4 -41.9(13) . . . . ?
C6 N3 Zn1 N5 -140.4(6) . . . . ?
C4 N3 Zn1 N5 45.3(4) . . . . ?
C6 N3 Zn1 N1 125.0(6) . . . . ?
C4 N3 Zn1 N1 -49.3(4) . . . . ?
C6 N3 Zn1 Cl4 -7.3(7) . . . . ?
C4 N3 Zn1 Cl4 178.4(3) . . . . ?
C9 N5 Zn1 N3 137.9(7) . . . . ?
C7 N5 Zn1 N3 -45.5(5) . . . . ?
C9 N5 Zn1 N1 -128.4(7) . . . . ?
C7 N5 Zn1 N1 48.2(5) . . . . ?
C9 N5 Zn1 Cl4 3.9(8) . . . . ?
C7 N5 Zn1 Cl4 -179.5(4) . . . . ?
C3 N1 Zn1 N3 -134.1(7) . . . . ?
C1 N1 Zn1 N3 51.0(5) . . . . ?
C3 N1 Zn1 N5 130.1(7) . . . . ?
C1 N1 Zn1 N5 -44.8(4) . . . . ?
C3 N1 Zn1 Cl4 -1.5(7) . . . . ?
C1 N1 Zn1 Cl4 -176.4(4) . . . . ?
C20 O4 C20 O4 -0.001(5) 3_485 . . 3_485 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 Cl1 0.88 2.24 3.107(5) 169.2 .
N4 H4A Cl1 0.88 2.23 3.090(6) 164.3 1_545
N6 H6A Cl1 0.88 2.25 3.127(6) 172.5 4_585

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        29.13
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.163
_refine_diff_density_min         -1.713
_refine_diff_density_rms         0.153