#------------------------------------------------------------------------------
#$Date: 2016-12-06 16:57:58 +0200 (Tue, 06 Dec 2016) $
#$Revision: 188980 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/33/70/4337046.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4337046
loop_
_publ_author_name
'Yuji Hashimoto'
'Nobuto Yoshinari'
'Daisuke Naruse'
'Koichi Nozaki'
'Takumi Konno'
_publ_contact_author
;
     Takumi Konno
  Department of Chemistry, Graduate School of Science, Osaka University, 
Toyonaka, Osaka, 560-0043, Japan
;
_publ_contact_author_email       ' konno@chem.sci.osaka-u.ac.jp '
_publ_contact_author_fax         ' +81-6-6850-5765 '
_publ_contact_author_phone       ' +81-6-6850-5765 '
_publ_section_title
;
 Synthesis, Structures, and Luminescence Properties of Interconvertible
 AuI2ZnII and AuI3ZnII Complexes with Mixed Bis(diphenylphosphino)methane
 and d-Penicillaminate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              14368
_journal_page_last               14375
_journal_paper_doi               10.1021/ic4024629
_journal_volume                  52
_journal_year                    2013
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C60 H62 Au3 N2 O4 P4 S2 Zn, Cl, 17(H2 O)'
_chemical_formula_sum            'C60 H96 Au3 Cl N2 O21 P4 S2 Zn'
_chemical_formula_weight         2061.11
_chemical_name_systematic        ?
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.5318(5)
_cell_length_b                   11.5885(2)
_cell_length_c                   16.7656(4)
_cell_measurement_reflns_used    34576
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3989.09(15)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_av_sigmaI/netI    0.0611
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            39252
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.027
_exptl_absorpt_correction_T_max  0.6777
_exptl_absorpt_correction_T_min  0.4650
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_description       rod
_exptl_crystal_F_000             2028
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.329
_refine_diff_density_min         -0.787
_refine_diff_density_rms         0.126
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.007(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         9077
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0179P)²+4.0066P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0739
_refine_ls_wR_factor_ref         0.0758
_reflns_number_gt                8473
_reflns_number_total             9077
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4024629_si_002_3.cif
_cod_data_source_block           '[4]Cl'
_cod_database_code               4337046
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Au1 Au 0.532802(10) 0.172333(16) 0.307161(12) 0.02552(6) Uani 1 1 d . . . 0
Au2 Au 0.5000 0.0000 0.180415(16) 0.02183(7) Uani 1 2 d S . . 0
Zn1 Zn 0.5000 0.0000 0.47772(5) 0.02853(19) Uani 1 2 d S . . 0
S1 S 0.43840(7) 0.11890(11) 0.37343(8) 0.0268(3) Uani 1 1 d . . . 0
N1 N 0.4449(2) 0.1083(4) 0.5548(3) 0.0340(11) Uani 1 1 d . . . 0
H1 H 0.4014 0.0896 0.5535 0.041 Uiso 1 1 calc R . . 0
H1A H 0.4597 0.1036 0.6065 0.041 Uiso 1 1 calc R . . 0
O1 O 0.56190(19) 0.1439(3) 0.4933(2) 0.0315(9) Uani 1 1 d . . . 0
O2 O 0.55681(19) 0.3335(3) 0.5184(3) 0.0378(10) Uani 1 1 d . . . 0
P1 P 0.62660(7) 0.20810(11) 0.23974(9) 0.0257(3) Uani 1 1 d . . . 0
P2 P 0.61158(7) -0.02467(11) 0.15925(8) 0.0225(3) Uani 1 1 d . . . 0
C1 C 0.4189(3) 0.2390(4) 0.4438(4) 0.0267(12) Uani 1 1 d . . . 0
C2 C 0.4566(3) 0.2235(5) 0.5211(4) 0.0313(13) Uani 1 1 d . . . 0
H2 H 0.4416 0.2828 0.5603 0.038 Uiso 1 1 calc R . . 0
C3 C 0.5310(3) 0.2355(5) 0.5102(3) 0.0305(12) Uani 1 1 d . . . 0
C4 C 0.4336(3) 0.3564(5) 0.4061(4) 0.0382(14) Uani 1 1 d . . . 0
H4 H 0.4234 0.4178 0.4444 0.057 Uiso 1 1 calc R . . 0
H4A H 0.4070 0.3663 0.3581 0.057 Uiso 1 1 calc R . . 0
H4B H 0.4799 0.3604 0.3919 0.057 Uiso 1 1 calc R . . 0
C5 C 0.3456(3) 0.2312(6) 0.4599(5) 0.0426(16) Uani 1 1 d . . . 0
H5 H 0.3332 0.2898 0.4991 0.064 Uiso 1 1 calc R . . 0
H5A H 0.3351 0.1544 0.4807 0.064 Uiso 1 1 calc R . . 0
H5B H 0.3217 0.2443 0.4101 0.064 Uiso 1 1 calc R . . 0
C6 C 0.6652(3) 0.0704(4) 0.2188(4) 0.0280(13) Uani 1 1 d . . . 0
H6 H 0.6762 0.0317 0.2697 0.034 Uiso 1 1 calc R . . 0
H6A H 0.7063 0.0838 0.1893 0.034 Uiso 1 1 calc R . . 0
C7 C 0.6885(3) 0.2941(4) 0.2911(4) 0.0290(12) Uani 1 1 d . . . 0
C8 C 0.6681(3) 0.3602(5) 0.3557(4) 0.0335(14) Uani 1 1 d . . . 0
H8 H 0.6248 0.3550 0.3754 0.040 Uiso 1 1 calc R . . 0
C9 C 0.7133(3) 0.4343(5) 0.3906(4) 0.0404(15) Uani 1 1 d . . . 0
H9 H 0.7004 0.4802 0.4347 0.048 Uiso 1 1 calc R . . 0
C10 C 0.7760(3) 0.4428(5) 0.3628(5) 0.0423(17) Uani 1 1 d . . . 0
H10 H 0.8057 0.4958 0.3863 0.051 Uiso 1 1 calc R . . 0
C11 C 0.7953(3) 0.3740(5) 0.3011(5) 0.0467(17) Uani 1 1 d . . . 0
H11 H 0.8391 0.3774 0.2831 0.056 Uiso 1 1 calc R . . 0
C12 C 0.7519(3) 0.2991(5) 0.2640(4) 0.0391(15) Uani 1 1 d . . . 0
H12 H 0.7657 0.2520 0.2208 0.047 Uiso 1 1 calc R . . 0
C13 C 0.6147(3) 0.2754(5) 0.1441(4) 0.0303(13) Uani 1 1 d . . . 0
C14 C 0.6639(3) 0.2802(5) 0.0861(4) 0.0411(16) Uani 1 1 d . . . 0
H14 H 0.7063 0.2529 0.0986 0.049 Uiso 1 1 calc R . . 0
C15 C 0.6516(4) 0.3239(7) 0.0119(4) 0.0531(19) Uani 1 1 d . . . 0
H15 H 0.6850 0.3252 -0.0273 0.064 Uiso 1 1 calc R . . 0
C16 C 0.5907(4) 0.3657(6) -0.0059(5) 0.055(2) Uani 1 1 d . . . 0
H16 H 0.5829 0.3962 -0.0576 0.066 Uiso 1 1 calc R . . 0
C17 C 0.5410(4) 0.3649(5) 0.0484(4) 0.0527(19) Uani 1 1 d . . . 0
H17 H 0.4994 0.3953 0.0351 0.063 Uiso 1 1 calc R . . 0
C18 C 0.5531(3) 0.3174(5) 0.1255(4) 0.0414(15) Uani 1 1 d . . . 0
H18 H 0.5191 0.3143 0.1640 0.050 Uiso 1 1 calc R . . 0
C19 C 0.6299(3) 0.0047(5) 0.0560(3) 0.0308(12) Uani 1 1 d . . . 0
C20 C 0.6918(4) -0.0199(6) 0.0256(4) 0.052(2) Uani 1 1 d . . . 0
H20 H 0.7249 -0.0511 0.0588 0.062 Uiso 1 1 calc R . . 0
C21 C 0.7038(4) 0.0026(8) -0.0552(5) 0.067(2) Uani 1 1 d . . . 0
H21 H 0.7453 -0.0162 -0.0768 0.081 Uiso 1 1 calc R . . 0
C22 C 0.6585(4) 0.0500(6) -0.1034(5) 0.058(2) Uani 1 1 d . . . 0
H22 H 0.6692 0.0672 -0.1572 0.070 Uiso 1 1 calc R . . 0
C23 C 0.5962(4) 0.0739(6) -0.0750(4) 0.0453(16) Uani 1 1 d . . . 0
H23 H 0.5638 0.1047 -0.1094 0.054 Uiso 1 1 calc R . . 0
C24 C 0.5823(3) 0.0517(5) 0.0053(4) 0.0328(13) Uani 1 1 d . . . 0
H24 H 0.5402 0.0687 0.0258 0.039 Uiso 1 1 calc R . . 0
C25 C 0.6423(2) -0.1699(4) 0.1757(3) 0.0259(11) Uani 1 1 d . . . 0
C26 C 0.6911(3) -0.1966(5) 0.2285(4) 0.0385(15) Uani 1 1 d . . . 0
H26 H 0.7123 -0.1365 0.2570 0.046 Uiso 1 1 calc R . . 0
C27 C 0.7098(3) -0.3099(5) 0.2407(4) 0.0421(16) Uani 1 1 d . . . 0
H27 H 0.7440 -0.3268 0.2770 0.051 Uiso 1 1 calc R . . 0
C28 C 0.6796(3) -0.3976(5) 0.2012(4) 0.0358(14) Uani 1 1 d . . . 0
H28 H 0.6927 -0.4752 0.2097 0.043 Uiso 1 1 calc R . . 0
C29 C 0.6305(4) -0.3729(5) 0.1493(5) 0.051(2) Uani 1 1 d . . . 0
H29 H 0.6083 -0.4344 0.1234 0.062 Uiso 1 1 calc R . . 0
C30 C 0.6119(3) -0.2588(5) 0.1332(4) 0.0402(16) Uani 1 1 d . . . 0
H30 H 0.5794 -0.2423 0.0945 0.048 Uiso 1 1 calc R . . 0
O3 O 0.1787(2) 0.1957(4) 0.4128(3) 0.0540(13) Uani 1 1 d . . . 2
O4 O 0.1962(2) 0.3831(4) 0.5180(3) 0.0561(14) Uani 1 1 d . . . 2
O5 O 0.2723(3) 0.4835(5) 0.6330(3) 0.0622(14) Uani 1 1 d . . . 2
O6 O 0.3962(3) 0.4040(6) 0.6930(4) 0.0871(19) Uani 1 1 d . . . 2
O7 O 0.5000 0.5000 0.6073(4) 0.0455(15) Uani 1 2 d S . . 2
O8 O 0.1260(4) 0.2823(10) 0.2709(5) 0.154(4) Uani 1 1 d . . . 2
Cl1A Cl 0.4852(3) 0.1410(7) 0.7385(3) 0.134(3) Uani 0.50 1 d P A 1 0
O9A O 0.4198(8) 0.2610(12) 0.9037(10) 0.099(5) Uiso 0.50 1 d P B 1 2
O9B O 0.4185(9) 0.2466(13) 0.8031(11) 0.115(5) Uiso 0.50 1 d P C 2 2
O10A O 0.3092(10) 0.3879(16) 0.8946(12) 0.129(6) Uiso 0.50 1 d P D 1 2
O10B O 0.3547(11) 0.3207(18) 0.9242(13) 0.143(7) Uiso 0.50 1 d P E 2 2
O11A O 0.3871(10) 0.5784(15) 0.8022(13) 0.135(6) Uiso 0.50 1 d P F 1 2
O11B O 0.3338(11) 0.5150(17) 0.8243(12) 0.146(7) Uiso 0.50 1 d P G 2 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P1 Au1 S1 174.99(5) . .
P1 Au1 Au2 87.66(4) . .
S1 Au1 Au2 88.51(3) . .
P2 Au2 P2 162.53(7) 2_655 .
P2 Au2 Au1 104.29(3) 2_655 .
P2 Au2 Au1 88.21(3) . .
P2 Au2 Au1 88.21(3) 2_655 2_655
P2 Au2 Au1 104.29(3) . 2_655
Au1 Au2 Au1 89.529(11) . 2_655
O1 Zn1 O1 165.8(2) 2_655 .
O1 Zn1 N1 77.23(17) 2_655 2_655
O1 Zn1 N1 94.07(17) . 2_655
O1 Zn1 N1 94.07(17) 2_655 .
O1 Zn1 N1 77.23(17) . .
N1 Zn1 N1 105.2(3) 2_655 .
O1 Zn1 S1 102.23(11) 2_655 .
O1 Zn1 S1 87.52(12) . .
N1 Zn1 S1 174.33(14) 2_655 .
N1 Zn1 S1 80.49(14) . .
O1 Zn1 S1 87.53(12) 2_655 2_655
O1 Zn1 S1 102.23(11) . 2_655
N1 Zn1 S1 80.49(14) 2_655 2_655
N1 Zn1 S1 174.33(14) . 2_655
S1 Zn1 S1 93.86(7) . 2_655
C1 S1 Au1 106.44(17) . .
C1 S1 Zn1 94.35(19) . .
Au1 S1 Zn1 93.33(5) . .
C2 N1 Zn1 102.5(3) . .
C2 N1 H1 111.3 . .
Zn1 N1 H1 111.3 . .
C2 N1 H1A 111.3 . .
Zn1 N1 H1A 111.3 . .
H1 N1 H1A 109.2 . .
C3 O1 Zn1 112.8(4) . .
C13 P1 C6 105.5(3) . .
C13 P1 C7 106.1(3) . .
C6 P1 C7 105.4(3) . .
C13 P1 Au1 114.1(2) . .
C6 P1 Au1 107.83(18) . .
C7 P1 Au1 117.0(2) . .
C19 P2 C25 104.3(3) . .
C19 P2 C6 106.4(3) . .
C25 P2 C6 105.2(2) . .
C19 P2 Au2 109.08(19) . .
C25 P2 Au2 115.52(17) . .
C6 P2 Au2 115.41(18) . .
C2 C1 C4 110.9(5) . .
C2 C1 C5 110.1(5) . .
C4 C1 C5 108.7(5) . .
C2 C1 S1 109.9(4) . .
C4 C1 S1 111.1(4) . .
C5 C1 S1 106.1(4) . .
N1 C2 C1 110.6(5) . .
N1 C2 C3 106.7(5) . .
C1 C2 C3 113.2(5) . .
N1 C2 H2 108.7 . .
C1 C2 H2 108.7 . .
C3 C2 H2 108.7 . .
O2 C3 O1 124.7(6) . .
O2 C3 C2 118.9(5) . .
O1 C3 C2 116.4(5) . .
C1 C4 H4 109.5 . .
C1 C4 H4A 109.5 . .
H4 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C5 H5 109.5 . .
C1 C5 H5A 109.5 . .
H5 C5 H5A 109.5 . .
C1 C5 H5B 109.5 . .
H5 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
P1 C6 P2 111.6(3) . .
P1 C6 H6 109.3 . .
P2 C6 H6 109.3 . .
P1 C6 H6A 109.3 . .
P2 C6 H6A 109.3 . .
H6 C6 H6A 108.0 . .
C12 C7 C8 121.1(6) . .
C12 C7 P1 121.6(5) . .
C8 C7 P1 117.2(5) . .
C7 C8 C9 117.8(6) . .
C7 C8 H8 121.1 . .
C9 C8 H8 121.1 . .
C10 C9 C8 121.8(7) . .
C10 C9 H9 119.1 . .
C8 C9 H9 119.1 . .
C11 C10 C9 119.1(6) . .
C11 C10 H10 120.4 . .
C9 C10 H10 120.4 . .
C10 C11 C12 121.2(7) . .
C10 C11 H11 119.4 . .
C12 C11 H11 119.4 . .
C7 C12 C11 118.9(6) . .
C7 C12 H12 120.5 . .
C11 C12 H12 120.5 . .
C18 C13 C14 119.1(6) . .
C18 C13 P1 118.3(5) . .
C14 C13 P1 122.5(5) . .
C15 C14 C13 120.8(7) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C14 C15 C16 119.8(7) . .
C14 C15 H15 120.1 . .
C16 C15 H15 120.1 . .
C17 C16 C15 122.2(7) . .
C17 C16 H16 118.9 . .
C15 C16 H16 118.9 . .
C16 C17 C18 118.4(7) . .
C16 C17 H17 120.8 . .
C18 C17 H17 120.8 . .
C13 C18 C17 119.7(7) . .
C13 C18 H18 120.1 . .
C17 C18 H18 120.1 . .
C20 C19 C24 119.3(6) . .
C20 C19 P2 120.1(5) . .
C24 C19 P2 120.6(4) . .
C19 C20 C21 118.3(7) . .
C19 C20 H20 120.8 . .
C21 C20 H20 120.8 . .
C22 C21 C20 122.3(7) . .
C22 C21 H21 118.9 . .
C20 C21 H21 118.9 . .
C21 C22 C23 120.6(7) . .
C21 C22 H22 119.7 . .
C23 C22 H22 119.7 . .
C22 C23 C24 118.7(7) . .
C22 C23 H23 120.7 . .
C24 C23 H23 120.7 . .
C23 C24 C19 120.7(6) . .
C23 C24 H24 119.6 . .
C19 C24 H24 119.6 . .
C26 C25 C30 119.3(5) . .
C26 C25 P2 124.0(4) . .
C30 C25 P2 116.7(4) . .
C25 C26 C27 120.7(6) . .
C25 C26 H26 119.6 . .
C27 C26 H26 119.6 . .
C28 C27 C26 120.7(6) . .
C28 C27 H27 119.6 . .
C26 C27 H27 119.6 . .
C27 C28 C29 119.4(5) . .
C27 C28 H28 120.3 . .
C29 C28 H28 120.3 . .
C28 C29 C30 121.5(6) . .
C28 C29 H29 119.2 . .
C30 C29 H29 119.2 . .
C25 C30 C29 118.3(6) . .
C25 C30 H30 120.9 . .
C29 C30 H30 120.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.2713(15) .
Au1 S1 2.3183(14) .
Au1 Au2 2.9929(3) .
Au2 P2 2.3357(13) 2_655
Au2 P2 2.3358(13) .
Au2 Au1 2.9929(3) 2_655
Zn1 O1 2.112(4) 2_655
Zn1 O1 2.112(4) .
Zn1 N1 2.127(5) 2_655
Zn1 N1 2.127(5) .
Zn1 S1 2.5603(15) .
Zn1 S1 2.5603(15) 2_655
S1 C1 1.869(5) .
N1 C2 1.469(7) .
N1 H1 0.9200 .
N1 H1A 0.9200 .
O1 C3 1.269(7) .
O2 C3 1.261(7) .
P1 C13 1.800(6) .
P1 C6 1.816(5) .
P1 C7 1.829(6) .
P2 C19 1.803(6) .
P2 C25 1.819(5) .
P2 C6 1.850(6) .
C1 C2 1.520(9) .
C1 C4 1.530(8) .
C1 C5 1.531(8) .
C2 C3 1.545(8) .
C2 H2 1.0000 .
C4 H4 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C5 H5 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C6 H6 0.9900 .
C6 H6A 0.9900 .
C7 C12 1.381(9) .
C7 C8 1.391(8) .
C8 C9 1.393(9) .
C8 H8 0.9500 .
C9 C10 1.373(10) .
C9 H9 0.9500 .
C10 C11 1.364(10) .
C10 H10 0.9500 .
C11 C12 1.391(9) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C18 1.391(9) .
C13 C14 1.403(9) .
C14 C15 1.368(9) .
C14 H14 0.9500 .
C15 C16 1.374(11) .
C15 H15 0.9500 .
C16 C17 1.368(11) .
C16 H16 0.9500 .
C17 C18 1.427(9) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.400(9) .
C19 C24 1.405(8) .
C20 C21 1.401(10) .
C20 H20 0.9500 .
C21 C22 1.349(11) .
C21 H21 0.9500 .
C22 C23 1.394(11) .
C22 H22 0.9500 .
C23 C24 1.400(9) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.372(8) .
C25 C30 1.399(8) .
C26 C27 1.383(8) .
C26 H26 0.9500 .
C27 C28 1.362(9) .
C27 H27 0.9500 .
C28 C29 1.362(10) .
C28 H28 0.9500 .
C29 C30 1.403(8) .
C29 H29 0.9500 .
C30 H30 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
P1 Au1 Au2 P2 -140.19(5) . 2_655
S1 Au1 Au2 P2 43.04(5) . 2_655
P1 Au1 Au2 P2 27.46(5) . .
S1 Au1 Au2 P2 -149.31(5) . .
P1 Au1 Au2 Au1 131.77(4) . 2_655
S1 Au1 Au2 Au1 -45.00(3) . 2_655
Au2 Au1 S1 C1 -160.6(2) . .
Au2 Au1 S1 Zn1 103.82(3) . .
O1 Zn1 S1 C1 112.0(2) 2_655 .
O1 Zn1 S1 C1 -57.6(2) . .
N1 Zn1 S1 C1 19.9(2) . .
S1 Zn1 S1 C1 -159.71(18) 2_655 .
O1 Zn1 S1 Au1 -141.23(12) 2_655 .
O1 Zn1 S1 Au1 49.17(11) . .
N1 Zn1 S1 Au1 126.64(13) . .
S1 Zn1 S1 Au1 -52.93(3) 2_655 .
O1 Zn1 N1 C2 -150.4(4) 2_655 .
O1 Zn1 N1 C2 40.9(4) . .
N1 Zn1 N1 C2 131.7(4) 2_655 .
S1 Zn1 N1 C2 -48.7(3) . .
O1 Zn1 O1 C3 -78.9(4) 2_655 .
N1 Zn1 O1 C3 -130.4(4) 2_655 .
N1 Zn1 O1 C3 -25.7(4) . .
S1 Zn1 O1 C3 55.1(4) . .
S1 Zn1 O1 C3 148.5(4) 2_655 .
Au2 Au1 P1 C13 67.0(2) . .
Au2 Au1 P1 C6 -49.9(2) . .
Au2 Au1 P1 C7 -168.4(2) . .
P2 Au2 P2 C19 13.0(2) 2_655 .
Au1 Au2 P2 C19 -123.3(2) . .
Au1 Au2 P2 C19 147.6(2) 2_655 .
P2 Au2 P2 C25 -104.1(2) 2_655 .
Au1 Au2 P2 C25 119.6(2) . .
Au1 Au2 P2 C25 30.5(2) 2_655 .
P2 Au2 P2 C6 132.6(2) 2_655 .
Au1 Au2 P2 C6 -3.7(2) . .
Au1 Au2 P2 C6 -92.8(2) 2_655 .
Au1 S1 C1 C2 -84.8(4) . .
Zn1 S1 C1 C2 10.0(4) . .
Au1 S1 C1 C4 38.3(4) . .
Zn1 S1 C1 C4 133.1(4) . .
Au1 S1 C1 C5 156.2(4) . .
Zn1 S1 C1 C5 -109.0(4) . .
Zn1 N1 C2 C1 73.9(5) . .
Zn1 N1 C2 C3 -49.6(5) . .
C4 C1 C2 N1 -177.0(4) . .
C5 C1 C2 N1 62.7(6) . .
S1 C1 C2 N1 -53.9(5) . .
C4 C1 C2 C3 -57.3(6) . .
C5 C1 C2 C3 -177.6(5) . .
S1 C1 C2 C3 65.9(5) . .
Zn1 O1 C3 O2 -176.3(5) . .
Zn1 O1 C3 C2 3.5(7) . .
N1 C2 C3 O2 -147.4(5) . .
C1 C2 C3 O2 90.7(7) . .
N1 C2 C3 O1 32.8(7) . .
C1 C2 C3 O1 -89.1(6) . .
C13 P1 C6 P2 -63.4(4) . .
C7 P1 C6 P2 -175.4(3) . .
Au1 P1 C6 P2 58.9(3) . .
C19 P2 C6 P1 90.5(3) . .
C25 P2 C6 P1 -159.2(3) . .
Au2 P2 C6 P1 -30.6(4) . .
C13 P1 C7 C12 -66.4(6) . .
C6 P1 C7 C12 45.3(6) . .
Au1 P1 C7 C12 165.1(4) . .
C13 P1 C7 C8 109.7(5) . .
C6 P1 C7 C8 -138.7(4) . .
Au1 P1 C7 C8 -18.9(5) . .
C12 C7 C8 C9 2.0(9) . .
P1 C7 C8 C9 -174.1(5) . .
C7 C8 C9 C10 0.0(9) . .
C8 C9 C10 C11 -2.2(10) . .
C9 C10 C11 C12 2.5(10) . .
C8 C7 C12 C11 -1.8(9) . .
P1 C7 C12 C11 174.1(5) . .
C10 C11 C12 C7 -0.5(10) . .
C6 P1 C13 C18 129.0(5) . .
C7 P1 C13 C18 -119.4(5) . .
Au1 P1 C13 C18 10.8(5) . .
C6 P1 C13 C14 -46.7(6) . .
C7 P1 C13 C14 64.8(6) . .
Au1 P1 C13 C14 -164.9(4) . .
C18 C13 C14 C15 -1.0(9) . .
P1 C13 C14 C15 174.8(5) . .
C13 C14 C15 C16 1.3(11) . .
C14 C15 C16 C17 -0.4(11) . .
C15 C16 C17 C18 -0.9(11) . .
C14 C13 C18 C17 -0.3(9) . .
P1 C13 C18 C17 -176.2(5) . .
C16 C17 C18 C13 1.2(10) . .
C25 P2 C19 C20 -46.9(6) . .
C6 P2 C19 C20 64.0(6) . .
Au2 P2 C19 C20 -170.9(5) . .
C25 P2 C19 C24 132.8(5) . .
C6 P2 C19 C24 -116.3(5) . .
Au2 P2 C19 C24 8.8(5) . .
C24 C19 C20 C21 -0.6(11) . .
P2 C19 C20 C21 179.1(7) . .
C19 C20 C21 C22 2.0(14) . .
C20 C21 C22 C23 -2.9(15) . .
C21 C22 C23 C24 2.3(12) . .
C22 C23 C24 C19 -0.9(10) . .
C20 C19 C24 C23 0.1(10) . .
P2 C19 C24 C23 -179.6(5) . .
C19 P2 C25 C26 117.6(5) . .
C6 P2 C25 C26 5.8(6) . .
Au2 P2 C25 C26 -122.7(5) . .
C19 P2 C25 C30 -64.9(5) . .
C6 P2 C25 C30 -176.6(5) . .
Au2 P2 C25 C30 54.8(5) . .
C30 C25 C26 C27 -0.8(10) . .
P2 C25 C26 C27 176.8(5) . .
C25 C26 C27 C28 -0.7(11) . .
C26 C27 C28 C29 -0.2(11) . .
C27 C28 C29 C30 2.5(12) . .
C26 C25 C30 C29 3.0(10) . .
P2 C25 C30 C29 -174.7(6) . .
C28 C29 C30 C25 -4.0(12) . .
