#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:57:40 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179872 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/68/7016842.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_7016842
loop_
_publ_author_name
'Molter, Anja'
'Rust, Jörg'
'Lehmann, Christian W.'
'Deepa, Ganesh'
'Chiba, Peter'
'Mohr, Fabian'
_publ_section_title
;
 Synthesis, structures and anti-malaria activity of some gold(i)
 phosphine complexes containing seleno- and thiosemicarbazonato
 ligands.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9810
_journal_page_last               9820
_journal_paper_doi               10.1039/c1dt10885a
_journal_volume                  40
_journal_year                    2011
_chemical_compound_source        CH2Cl2/Et2O
_chemical_formula_moiety         'C62 H66 Au2 Fe N8 P2 Se2'
_chemical_formula_sum            'C62 H66 Au2 Fe N8 P2 Se2'
_chemical_formula_weight         1592.87
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_code                AMS131
_audit_creation_date             2009-03-06
_cell_angle_alpha                101.5540(10)
_cell_angle_beta                 100.5610(10)
_cell_angle_gamma                106.8280(10)
_cell_formula_units_Z            1
_cell_length_a                   11.4658(2)
_cell_length_b                   11.4760(2)
_cell_length_c                   12.2708(2)
_cell_measurement_reflns_used    22466
_cell_measurement_temperature    100
_cell_measurement_theta_max      33.14
_cell_measurement_theta_min      2.91
_cell_volume                     1463.18(5)
_computing_cell_refinement       'Denzo / Scalepack (Otwinowski 1997)'
_computing_data_collection       'Collect software (Nonius, 1998)'
_computing_data_reduction        'Denzo / Scalepack (Otwinowski 1997)'
_computing_molecular_graphics    'DIAMOND (Crystal Impact GbR, 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 18.18
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'CCD ω-scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         '0.3 mm focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0348
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            34667
_diffrn_reflns_theta_full        33.20
_diffrn_reflns_theta_max         33.20
_diffrn_reflns_theta_min         2.91
_diffrn_standards_decay_%        0.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.591
_exptl_absorpt_correction_T_max  0.69
_exptl_absorpt_correction_T_min  0.30
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS, Bruker AXS (2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.072
_refine_diff_density_min         -1.940
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         11158
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0272P)²+1.3162P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0613
_refine_ls_wR_factor_ref         0.0631
_reflns_number_gt                10236
_reflns_number_total             11158
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c1dt10885a.txt
_cod_data_source_block           6399
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (47
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (33
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (89
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (77 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1463.18(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7016842
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.9865(2) 0.1975(2) 0.74455(18) 0.0188(4) Uani 1 1 d .
C2 C 0.7639(2) 0.3397(2) 0.7501(2) 0.0222(4) Uani 1 1 d .
C3 C 0.8353(3) 0.4694(3) 0.8295(3) 0.0411(8) Uani 1 1 d .
H3A H 0.8923 0.4633 0.8943 0.062 Uiso 1 1 calc R
H3B H 0.7770 0.5065 0.8560 0.062 Uiso 1 1 calc R
H3C H 0.8823 0.5213 0.7891 0.062 Uiso 1 1 calc R
C11 C 0.6323(2) 0.3108(2) 0.6818(2) 0.0203(4) Uani 1 1 d .
C12 C 0.5649(2) 0.1925(2) 0.6043(2) 0.0215(4) Uani 1 1 d .
H12 H 0.5981 0.1272 0.5997 0.026 Uiso 1 1 calc R
C13 C 0.4479(2) 0.1736(3) 0.5344(2) 0.0260(5) Uani 1 1 d .
H13 H 0.4018 0.0956 0.4820 0.031 Uiso 1 1 calc R
C14 C 0.4008(3) 0.2712(3) 0.5435(3) 0.0300(5) Uani 1 1 d .
H14 H 0.3225 0.2611 0.4974 0.036 Uiso 1 1 calc R
C15 C 0.4721(3) 0.3840(3) 0.6222(3) 0.0436(8) Uani 1 1 d .
H15 H 0.4397 0.4499 0.6278 0.052 Uiso 1 1 calc R
C21 C 1.1950(2) 0.1870(3) 0.7289(2) 0.0223(4) Uani 1 1 d .
H21A H 1.2191 0.2510 0.6885 0.027 Uiso 1 1 calc R
H21B H 1.1500 0.1066 0.6718 0.027 Uiso 1 1 calc R
C22 C 1.3129(2) 0.1792(3) 0.8029(2) 0.0242(5) Uani 1 1 d .
H22A H 1.3679 0.1631 0.7548 0.029 Uiso 1 1 calc R
H22B H 1.2893 0.1090 0.8365 0.029 Uiso 1 1 calc R
C23 C 1.3841(2) 0.3005(3) 0.8988(2) 0.0263(5) Uani 1 1 d .
H23 H 1.4096 0.3698 0.8632 0.032 Uiso 1 1 calc R
C24 C 1.2926(2) 0.3266(3) 0.9686(2) 0.0298(5) Uani 1 1 d .
H24A H 1.2678 0.2597 1.0059 0.036 Uiso 1 1 calc R
H24B H 1.3349 0.4055 1.0282 0.036 Uiso 1 1 calc R
C25 C 1.1748(2) 0.3348(3) 0.8939(2) 0.0275(5) Uani 1 1 d .
H25A H 1.1177 0.3476 0.9407 0.033 Uiso 1 1 calc R
H25B H 1.1983 0.4067 0.8623 0.033 Uiso 1 1 calc R
C26 C 1.5027(3) 0.2925(3) 0.9718(3) 0.0339(6) Uani 1 1 d .
H26A H 1.5452 0.3702 1.0312 0.051 Uiso 1 1 calc R
H26B H 1.5576 0.2784 0.9241 0.051 Uiso 1 1 calc R
H26C H 1.4801 0.2238 1.0062 0.051 Uiso 1 1 calc R
C31 C 0.8245(2) 0.1964(2) 0.21821(19) 0.0209(4) Uani 1 1 d .
C32 C 0.9150(2) 0.1377(2) 0.2194(2) 0.0230(4) Uani 1 1 d .
H32 H 0.9422 0.1114 0.2834 0.028 Uiso 1 1 calc R
C33 C 0.9648(3) 0.1183(3) 0.1249(2) 0.0302(6) Uani 1 1 d .
H33 H 1.0239 0.0773 0.1252 0.036 Uiso 1 1 calc R
C34 C 0.9269(3) 0.1598(3) 0.0305(2) 0.0338(6) Uani 1 1 d .
H34 H 0.9618 0.1480 -0.0318 0.041 Uiso 1 1 calc R
C35 C 0.8371(3) 0.2186(4) 0.0283(2) 0.0390(7) Uani 1 1 d .
H35 H 0.8121 0.2467 -0.0351 0.047 Uiso 1 1 calc R
C36 C 0.7841(3) 0.2357(3) 0.1215(2) 0.0328(6) Uani 1 1 d .
H36 H 0.7221 0.2732 0.1194 0.039 Uiso 1 1 calc R
C41 C 0.5945(2) 0.1917(2) 0.2886(2) 0.0184(4) Uani 1 1 d .
C42 C 0.5122(3) 0.0681(3) 0.2615(3) 0.0306(6) Uani 1 1 d .
H42 H 0.5437 0.0028 0.2673 0.037 Uiso 1 1 calc R
C43 C 0.3824(3) 0.0419(3) 0.2258(3) 0.0402(7) Uani 1 1 d .
H43 H 0.3275 -0.0408 0.2078 0.048 Uiso 1 1 calc R
C44 C 0.3357(2) 0.1385(3) 0.2173(3) 0.0341(6) Uani 1 1 d .
H44 H 0.2492 0.1205 0.1924 0.041 Uiso 1 1 calc R
C45 C 0.4159(2) 0.2613(3) 0.2452(2) 0.0295(5) Uani 1 1 d .
H45 H 0.3838 0.3263 0.2404 0.035 Uiso 1 1 calc R
C46 C 0.5451(2) 0.2877(2) 0.2807(2) 0.0252(5) Uani 1 1 d .
H46 H 0.5993 0.3708 0.2994 0.030 Uiso 1 1 calc R
C51 C 0.8230(2) 0.3932(2) 0.4021(2) 0.0178(4) Uani 1 1 d .
C52 C 0.8788(2) 0.4909(3) 0.3512(2) 0.0276(5) Uani 1 1 d .
H52 H 0.8934 0.4789 0.2783 0.033 Uiso 1 1 calc R
C53 C 0.9076(2) 0.6086(3) 0.4318(3) 0.0363(7) Uani 1 1 d .
H53 H 0.9445 0.6874 0.4208 0.044 Uiso 1 1 calc R
C54 C 0.8709(2) 0.5869(2) 0.5320(3) 0.0324(6) Uani 1 1 d .
H54 H 0.8796 0.6486 0.5979 0.039 Uiso 1 1 calc R
C55 C 0.8186(2) 0.4542(2) 0.5141(2) 0.0210(4) Uani 1 1 d .
H55 H 0.7868 0.4139 0.5664 0.025 Uiso 1 1 calc R
N1 N 0.93666(19) 0.2817(2) 0.78175(17) 0.0219(4) Uani 1 1 d .
N2 N 0.81000(18) 0.2502(2) 0.72663(16) 0.0197(4) Uani 1 1 d .
N3 N 0.5863(2) 0.4062(2) 0.6924(2) 0.0384(6) Uani 1 1 d .
N4 N 1.11057(19) 0.2184(2) 0.79913(17) 0.0208(4) Uani 1 1 d .
P1 P 0.76225(5) 0.22482(6) 0.34325(5) 0.01539(10) Uani 1 1 d .
Fe1 Fe 1.0000 0.5000 0.5000 0.02006(9) Uani 1 2 d S
Se1 Se 0.90055(2) 0.03991(2) 0.625086(19) 0.01823(5) Uani 1 1 d .
Au1 Au 0.817145(7) 0.128266(7) 0.478198(6) 0.01476(3) Uani 1 1 d .
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
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 C1 N4 117.5(2) . . y
N1 C1 Se1 126.26(18) . . y
N4 C1 Se1 116.19(17) . . y
N2 C2 C11 114.6(2) . . y
N2 C2 C3 125.5(2) . . y
C11 C2 C3 119.6(2) . . y
C2 C3 H3A 109.5 . . n
C2 C3 H3B 109.5 . . n
H3A C3 H3B 109.5 . . n
C2 C3 H3C 109.5 . . n
H3A C3 H3C 109.5 . . n
H3B C3 H3C 109.5 . . n
N3 C11 C12 122.0(2) . . y
N3 C11 C2 116.7(2) . . y
C12 C11 C2 121.1(2) . . y
C13 C12 C11 119.2(2) . . y
C13 C12 H12 120.4 . . n
C11 C12 H12 120.4 . . n
C14 C13 C12 119.2(3) . . y
C14 C13 H13 120.4 . . n
C12 C13 H13 120.4 . . n
C15 C14 C13 118.2(3) . . y
C15 C14 H14 120.9 . . n
C13 C14 H14 120.9 . . n
N3 C15 C14 124.5(3) . . y
N3 C15 H15 117.8 . . n
C14 C15 H15 117.8 . . n
N4 C21 C22 111.5(2) . . y
N4 C21 H21A 109.3 . . n
C22 C21 H21A 109.3 . . n
N4 C21 H21B 109.3 . . n
C22 C21 H21B 109.3 . . n
H21A C21 H21B 108.0 . . n
C21 C22 C23 111.9(2) . . y
C21 C22 H22A 109.2 . . n
C23 C22 H22A 109.2 . . n
C21 C22 H22B 109.2 . . n
C23 C22 H22B 109.2 . . n
H22A C22 H22B 107.9 . . n
C26 C23 C22 111.6(2) . . y
C26 C23 C24 113.1(2) . . y
C22 C23 C24 107.7(2) . . y
C26 C23 H23 108.1 . . n
C22 C23 H23 108.1 . . n
C24 C23 H23 108.1 . . n
C25 C24 C23 112.2(2) . . y
C25 C24 H24A 109.2 . . n
C23 C24 H24A 109.2 . . n
C25 C24 H24B 109.2 . . n
C23 C24 H24B 109.2 . . n
H24A C24 H24B 107.9 . . n
N4 C25 C24 110.8(2) . . y
N4 C25 H25A 109.5 . . n
C24 C25 H25A 109.5 . . n
N4 C25 H25B 109.5 . . n
C24 C25 H25B 109.5 . . n
H25A C25 H25B 108.1 . . n
C23 C26 H26A 109.5 . . n
C23 C26 H26B 109.5 . . n
H26A C26 H26B 109.5 . . n
C23 C26 H26C 109.5 . . n
H26A C26 H26C 109.5 . . n
H26B C26 H26C 109.5 . . n
C32 C31 C36 119.6(2) . . y
C32 C31 P1 119.87(17) . . y
C36 C31 P1 120.50(19) . . y
C33 C32 C31 120.0(2) . . y
C33 C32 H32 120.0 . . n
C31 C32 H32 120.0 . . n
C34 C33 C32 120.3(2) . . y
C34 C33 H33 119.9 . . n
C32 C33 H33 119.9 . . n
C35 C34 C33 120.3(2) . . y
C35 C34 H34 119.9 . . n
C33 C34 H34 119.9 . . n
C34 C35 C36 119.9(3) . . y
C34 C35 H35 120.0 . . n
C36 C35 H35 120.0 . . n
C35 C36 C31 119.9(3) . . y
C35 C36 H36 120.1 . . n
C31 C36 H36 120.1 . . n
C46 C41 C42 118.9(2) . . y
C46 C41 P1 121.64(18) . . y
C42 C41 P1 119.27(19) . . y
C41 C42 C43 120.0(3) . . y
C41 C42 H42 120.0 . . n
C43 C42 H42 120.0 . . n
C44 C43 C42 120.0(3) . . y
C44 C43 H43 120.0 . . n
C42 C43 H43 120.0 . . n
C45 C44 C43 120.5(3) . . y
C45 C44 H44 119.7 . . n
C43 C44 H44 119.7 . . n
C44 C45 C46 119.6(3) . . y
C44 C45 H45 120.2 . . n
C46 C45 H45 120.2 . . n
C45 C46 C41 120.8(2) . . y
C45 C46 H46 119.6 . . n
C41 C46 H46 119.6 . . n
C55 C51 C52 107.1(2) . . y
C55 C51 P1 122.98(17) . . y
C52 C51 P1 129.8(2) . . y
C55 C51 Fe1 69.73(13) . . y
C52 C51 Fe1 69.76(13) . . y
P1 C51 Fe1 127.14(12) . . y
C53 C52 C51 107.7(2) . . y
C53 C52 Fe1 70.30(16) . . y
C51 C52 Fe1 68.96(13) . . y
C53 C52 H52 126.1 . . n
C51 C52 H52 126.1 . . n
Fe1 C52 H52 126.2 . . n
C52 C53 C54 108.9(2) . . y
C52 C53 Fe1 69.40(14) . . y
C54 C53 Fe1 70.06(15) . . y
C52 C53 H53 125.5 . . n
C54 C53 H53 125.5 . . n
Fe1 C53 H53 126.6 . . n
C53 C54 C55 107.8(3) . . y
C53 C54 Fe1 69.77(16) . . y
C55 C54 Fe1 69.02(14) . . y
C53 C54 H54 126.1 . . n
C55 C54 H54 126.1 . . n
Fe1 C54 H54 126.7 . . n
C54 C55 C51 108.4(2) . . y
C54 C55 Fe1 70.49(15) . . y
C51 C55 Fe1 69.21(13) . . y
C54 C55 H55 125.8 . . n
C51 C55 H55 125.8 . . n
Fe1 C55 H55 126.1 . . n
C1 N1 N2 113.8(2) . . y
C2 N2 N1 114.7(2) . . y
C11 N3 C15 116.9(3) . . y
C1 N4 C25 116.7(2) . . y
C1 N4 C21 118.87(19) . . y
C25 N4 C21 112.7(2) . . y
C51 P1 C41 103.36(11) . . y
C51 P1 C31 104.77(11) . . y
C41 P1 C31 106.48(11) . . y
C51 P1 Au1 110.34(8) . . y
C41 P1 Au1 116.12(7) . . y
C31 P1 Au1 114.62(8) . . y
C51 Fe1 C51 180.0 2_766 . n
C51 Fe1 C55 138.95(9) 2_766 . y
C51 Fe1 C55 41.06(9) . . y
C51 Fe1 C55 41.06(9) 2_766 2_766 ?
C51 Fe1 C55 138.94(9) . 2_766 ?
C55 Fe1 C55 180.0 . 2_766 n
C51 Fe1 C52 41.29(9) 2_766 2_766 ?
C51 Fe1 C52 138.71(9) . 2_766 ?
C55 Fe1 C52 111.25(10) . 2_766 ?
C55 Fe1 C52 68.75(10) 2_766 2_766 ?
C51 Fe1 C52 138.71(9) 2_766 . y
C51 Fe1 C52 41.29(9) . . y
C55 Fe1 C52 68.75(10) . . y
C55 Fe1 C52 111.25(10) 2_766 . y
C52 Fe1 C52 179.998(1) 2_766 . y
C51 Fe1 C53 111.49(10) 2_766 . y
C51 Fe1 C53 68.51(10) . . y
C55 Fe1 C53 67.94(11) . . y
C55 Fe1 C53 112.06(11) 2_766 . y
C52 Fe1 C53 139.70(13) 2_766 . y
C52 Fe1 C53 40.30(13) . . y
C51 Fe1 C53 68.51(10) 2_766 2_766 ?
C51 Fe1 C53 111.49(10) . 2_766 ?
C55 Fe1 C53 112.06(11) . 2_766 ?
C55 Fe1 C53 67.94(11) 2_766 2_766 ?
C52 Fe1 C53 40.30(13) 2_766 2_766 ?
C52 Fe1 C53 139.70(13) . 2_766 ?
C53 Fe1 C53 179.999(1) . 2_766 ?
C51 Fe1 C54 111.33(10) 2_766 . y
C51 Fe1 C54 68.67(10) . . y
C55 Fe1 C54 40.48(10) . . y
C55 Fe1 C54 139.52(10) 2_766 . y
C52 Fe1 C54 111.85(12) 2_766 . y
C52 Fe1 C54 68.16(12) . . y
C53 Fe1 C54 40.17(13) . . y
C53 Fe1 C54 139.83(13) 2_766 . y
C51 Fe1 C54 68.67(10) 2_766 2_766 ?
C51 Fe1 C54 111.33(10) . 2_766 ?
C55 Fe1 C54 139.52(10) . 2_766 ?
C55 Fe1 C54 40.48(10) 2_766 2_766 ?
C52 Fe1 C54 68.15(12) 2_766 2_766 ?
C52 Fe1 C54 111.84(12) . 2_766 ?
C53 Fe1 C54 139.83(13) . 2_766 ?
C53 Fe1 C54 40.17(13) 2_766 2_766 ?
C54 Fe1 C54 179.999(1) . 2_766 ?
C1 Se1 Au1 97.36(7) . . y
P1 Au1 Se1 173.429(15) . . y
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 N1 1.306(3) . y
C1 N4 1.386(3) . y
C1 Se1 1.941(2) . y
C2 N2 1.291(3) . y
C2 C11 1.491(3) . y
C2 C3 1.502(4) . y
C3 H3A 0.9600 . n
C3 H3B 0.9600 . n
C3 H3C 0.9600 . n
C11 N3 1.341(3) . y
C11 C12 1.396(3) . y
C12 C13 1.384(3) . y
C12 H12 0.9300 . n
C13 C14 1.372(4) . y
C13 H13 0.9300 . n
C14 C15 1.369(4) . y
C14 H14 0.9300 . n
C15 N3 1.351(4) . y
C15 H15 0.9300 . n
C21 N4 1.480(3) . y
C21 C22 1.521(3) . y
C21 H21A 0.9700 . n
C21 H21B 0.9700 . n
C22 C23 1.523(4) . y
C22 H22A 0.9700 . n
C22 H22B 0.9700 . n
C23 C26 1.523(4) . y
C23 C24 1.528(4) . y
C23 H23 0.9800 . n
C24 C25 1.525(4) . y
C24 H24A 0.9700 . n
C24 H24B 0.9700 . n
C25 N4 1.475(3) . y
C25 H25A 0.9700 . n
C25 H25B 0.9700 . n
C26 H26A 0.9600 . n
C26 H26B 0.9600 . n
C26 H26C 0.9600 . n
C31 C32 1.391(3) . y
C31 C36 1.400(3) . y
C31 P1 1.818(2) . y
C32 C33 1.390(3) . y
C32 H32 0.9300 . n
C33 C34 1.384(4) . y
C33 H33 0.9300 . n
C34 C35 1.384(4) . y
C34 H34 0.9300 . n
C35 C36 1.396(4) . y
C35 H35 0.9300 . n
C36 H36 0.9300 . n
C41 C46 1.389(3) . y
C41 C42 1.391(3) . y
C41 P1 1.815(2) . y
C42 C43 1.395(4) . y
C42 H42 0.9300 . n
C43 C44 1.377(5) . y
C43 H43 0.9300 . n
C44 C45 1.375(4) . y
C44 H44 0.9300 . n
C45 C46 1.388(4) . y
C45 H45 0.9300 . n
C46 H46 0.9300 . n
C51 C55 1.430(3) . y
C51 C52 1.439(3) . y
C51 P1 1.793(2) . y
C51 Fe1 2.035(2) . y
C52 C53 1.414(4) . y
C52 Fe1 2.046(2) . y
C52 H52 0.9300 . n
C53 C54 1.415(5) . y
C53 Fe1 2.058(3) . y
C53 H53 0.9300 . n
C54 C55 1.420(4) . y
C54 Fe1 2.061(3) . y
C54 H54 0.9300 . n
C55 Fe1 2.042(2) . y
C55 H55 0.9300 . n
N1 N2 1.391(3) . y
P1 Au1 2.2633(6) . y
Fe1 C51 2.035(2) 2_766 ?
Fe1 C55 2.042(2) 2_766 ?
Fe1 C52 2.046(3) 2_766 ?
Fe1 C53 2.058(3) 2_766 ?
Fe1 C54 2.061(3) 2_766 ?
Se1 Au1 2.4194(2) . y
