#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:42:30 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178610 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/21/4072119.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_4072119
loop_
_publ_author_name
'Siemeling, Ulrich'
'Rother, Dag'
'Bruhn, Clemens'
_publ_section_title
;
 Reactions of Gold(I) Acetylides with 1,1′-Diisocyanoferrocene:
 From Orthodox to Unorthodox Behavior
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              6419
_journal_paper_doi               10.1021/om8005992
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C30 H16 Au2 F6 Fe N2'
_chemical_formula_sum            'C30 H16 Au2 F6 Fe N2'
_chemical_formula_weight         968.23
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_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                 98.271(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.4667(13)
_cell_length_b                   8.5646(8)
_cell_length_c                   14.1478(16)
_cell_measurement_reflns_used    5032
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      25.36
_cell_measurement_theta_min      1.45
_cell_volume                     1375.0(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      ' 180 frames, detector distance = 135 mm'
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, multiple pinhole'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1376
_diffrn_reflns_av_sigmaI/netI    0.1183
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8971
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.45
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_current           32
_diffrn_source_power             1.60
_diffrn_source_voltage           50
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    11.228
_exptl_absorpt_correction_T_max  0.2330
_exptl_absorpt_correction_T_min  0.0766
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'X-red ver. 1.31 (Stoe & Cie. 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.758
_refine_diff_density_min         -1.639
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.878
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     223
_refine_ls_number_reflns         2601
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.878
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0186P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0910
_reflns_number_gt                1652
_reflns_number_total             2601
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8005992_si_001.cif
_cod_data_source_block           i0412
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4072119
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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
C1 C 0.611(2) 0.2500 -0.0056(17) 0.056(5) Uani 1 2 d S
C2 C 0.7609(13) 0.2500 -0.1276(13) 0.036(4) Uani 1 2 d S
C3 C 0.8029(9) 0.1143(13) -0.1703(9) 0.039(3) Uani 1 1 d .
H3 H 0.7863 0.0089 -0.1562 0.047 Uiso 1 1 calc R
C4 C 0.8727(9) 0.1656(14) -0.2365(9) 0.039(3) Uani 1 1 d .
H4 H 0.9136 0.1008 -0.2753 0.047 Uiso 1 1 calc R
C5 C 0.3913(14) 0.2500 -0.1633(13) 0.036(4) Uani 1 2 d S
C6 C 0.5215(16) 0.2500 -0.2956(13) 0.042(5) Uani 1 2 d S
C7 C 0.5660(9) 0.1134(14) -0.3361(9) 0.038(3) Uani 1 1 d .
H7 H 0.5518 0.0081 -0.3200 0.046 Uiso 1 1 calc R
C8 C 0.6361(9) 0.1661(13) -0.4056(8) 0.037(3) Uani 1 1 d .
H8 H 0.6759 0.1012 -0.4451 0.044 Uiso 1 1 calc R
C9 C 0.4027(15) 0.2500 0.1878(15) 0.046(5) Uani 1 2 d S
C10 C 0.3437(13) 0.2500 0.2546(13) 0.033(4) Uani 1 2 d S
C11 C 0.2833(14) 0.2500 0.3359(12) 0.033(4) Uani 1 2 d S
C12 C 0.3427(14) 0.2500 0.4277(14) 0.039(4) Uani 1 2 d S
H12 H 0.4264 0.2500 0.4362 0.047 Uiso 1 2 calc SR
C13 C 0.2880(13) 0.2500 0.5070(12) 0.040(4) Uani 1 2 d S
H13 H 0.3319 0.2500 0.5693 0.047 Uiso 1 2 calc SR
C14 C 0.1605(13) 0.2500 0.4927(13) 0.036(4) Uani 1 2 d S
C15 C 0.1030(15) 0.2500 0.4029(13) 0.045(5) Uani 1 2 d S
H15 H 0.0193 0.2500 0.3938 0.054 Uiso 1 2 calc SR
C16 C 0.1594(15) 0.2500 0.3238(14) 0.045(5) Uani 1 2 d S
H16 H 0.1153 0.2500 0.2616 0.054 Uiso 1 2 calc SR
C20 C 0.1371(9) 0.2500 -0.0010(12) 0.028(4) Uani 1 2 d S
C21 C 0.0547(12) 0.2500 0.0422(12) 0.032(4) Uani 1 2 d S
C22 C -0.0380(14) 0.2500 0.1023(12) 0.039(4) Uani 1 2 d S
C23 C -0.0829(9) 0.1072(13) 0.1346(9) 0.039(3) Uani 1 1 d .
H23 H -0.0607 0.0107 0.1092 0.047 Uiso 1 1 calc R
C24 C -0.1572(9) 0.1081(12) 0.2015(9) 0.038(3) Uani 1 1 d .
H24 H -0.1854 0.0120 0.2229 0.046 Uiso 1 1 calc R
C25 C -0.1930(14) 0.2500 0.2395(13) 0.041(4) Uani 1 2 d S
C26 C 0.0996(18) 0.2500 0.5797(14) 0.052(5) Uani 1 2 d S
C27 C -0.2688(16) 0.2500 0.3159(15) 0.058(6) Uani 1 2 d S
N1 N 0.6832(12) 0.2500 -0.0585(10) 0.040(4) Uani 1 2 d S
N2 N 0.4512(12) 0.2500 -0.2206(12) 0.040(4) Uani 1 2 d S
Fe Fe 0.70197(18) 0.2500 -0.27120(17) 0.0320(5) Uani 1 2 d S
Au1 Au 0.50453(6) 0.2500 0.08725(5) 0.0451(2) Uani 1 2 d S
Au2 Au 0.26949(5) 0.2500 -0.07765(5) 0.0396(2) Uani 1 2 d S
F1 F -0.1995(10) 0.2500 0.4047(9) 0.094(5) Uani 1 2 d S
F2 F -0.3385(6) 0.1223(10) 0.3171(7) 0.074(3) Uani 1 1 d .
F3 F 0.1609(13) 0.2500 0.6611(11) 0.092(5) Uani 1 2 d S
F4 F 0.0275(11) 0.1270(15) 0.5790(9) 0.155(6) 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'
Fe Fe 0.3463 0.8444 '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'
F F 0.0171 0.0103 '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
N1 C1 Au1 175.5(19) . .
N1 C2 C3 125.3(7) . 4_565
N1 C2 C3 125.3(7) . .
C3 C2 C3 109.2(13) 4_565 .
N1 C2 Fe 122.4(11) . .
C3 C2 Fe 70.3(9) 4_565 .
C3 C2 Fe 70.3(9) . .
C4 C3 C2 106.9(10) . .
C4 C3 Fe 71.1(7) . .
C2 C3 Fe 69.1(8) . .
C4 C3 H3 126.5 . .
C2 C3 H3 126.5 . .
Fe C3 H3 124.9 . .
C3 C4 C4 108.5(7) . 4_565
C3 C4 Fe 69.8(6) . .
C4 C4 Fe 69.7(3) 4_565 .
C3 C4 H4 125.8 . .
C4 C4 H4 125.8 4_565 .
Fe C4 H4 126.4 . .
N2 C5 Au2 172.4(17) . .
N2 C6 C7 124.9(8) . .
N2 C6 C7 124.9(8) . 4_565
C7 C6 C7 110.0(16) . 4_565
N2 C6 Fe 122.8(13) . .
C7 C6 Fe 70.0(8) . .
C7 C6 Fe 70.0(8) 4_565 .
C6 C7 C8 106.6(11) . .
C6 C7 Fe 69.3(9) . .
C8 C7 Fe 70.3(6) . .
C6 C7 H7 126.7 . .
C8 C7 H7 126.7 . .
Fe C7 H7 125.3 . .
C7 C8 C8 108.4(7) . 4_565
C7 C8 Fe 69.2(7) . .
C8 C8 Fe 69.7(3) 4_565 .
C7 C8 H8 125.8 . .
C8 C8 H8 125.8 4_565 .
Fe C8 H8 126.9 . .
C10 C9 Au1 176.7(15) . .
C9 C10 C11 176.0(19) . .
C12 C11 C16 117.9(15) . .
C12 C11 C10 122.0(15) . .
C16 C11 C10 120.1(17) . .
C13 C12 C11 123.6(15) . .
C13 C12 H12 118.2 . .
C11 C12 H12 118.2 . .
C12 C13 C14 117.4(17) . .
C12 C13 H13 121.3 . .
C14 C13 H13 121.3 . .
C15 C14 C13 118.7(15) . .
C15 C14 C26 123.6(15) . .
C13 C14 C26 117.7(16) . .
C14 C15 C16 123.1(17) . .
C14 C15 H15 118.4 . .
C16 C15 H15 118.4 . .
C15 C16 C11 119.2(19) . .
C15 C16 H16 120.4 . .
C11 C16 H16 120.4 . .
C21 C20 Au2 177.7(13) . .
C20 C21 C22 175.0(16) . .
C23 C22 C23 117.9(15) 4_565 .
C23 C22 C21 121.0(7) 4_565 .
C23 C22 C21 121.0(7) . .
C24 C23 C22 120.5(12) . .
C24 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
C23 C24 C25 120.9(11) . .
C23 C24 H24 119.5 . .
C25 C24 H24 119.5 . .
C24 C25 C24 118.6(14) 4_565 .
C24 C25 C27 120.7(7) 4_565 .
C24 C25 C27 120.7(7) . .
F3 C26 F4 105.7(13) . 4_565
F3 C26 F4 105.7(13) . .
F4 C26 F4 103.9(19) 4_565 .
F3 C26 C14 119.0(18) . .
F4 C26 C14 110.7(11) 4_565 .
F4 C26 C14 110.7(11) . .
F2 C27 F2 107.5(14) 4_565 .
F2 C27 F1 104.5(12) 4_565 .
F2 C27 F1 104.5(12) . .
F2 C27 C25 114.7(11) 4_565 .
F2 C27 C25 114.7(11) . .
F1 C27 C25 110.0(15) . .
C1 N1 C2 175.1(17) . .
C5 N2 C6 177.4(18) . .
C2 Fe C6 110.4(6) . .
C2 Fe C7 124.3(4) . 4_565
C6 Fe C7 40.7(4) . 4_565
C2 Fe C7 124.3(4) . .
C6 Fe C7 40.7(4) . .
C7 Fe C7 69.3(7) 4_565 .
C2 Fe C3 40.6(4) . 4_565
C6 Fe C3 124.7(5) . 4_565
C7 Fe C3 107.6(4) 4_565 4_565
C7 Fe C3 160.7(4) . 4_565
C2 Fe C3 40.6(4) . .
C6 Fe C3 124.7(5) . .
C7 Fe C3 160.7(4) 4_565 .
C7 Fe C3 107.6(4) . .
C3 Fe C3 68.6(7) 4_565 .
C2 Fe C8 159.4(3) . 4_565
C6 Fe C8 67.6(6) . 4_565
C7 Fe C8 40.5(4) 4_565 4_565
C7 Fe C8 68.6(5) . 4_565
C3 Fe C8 122.3(5) 4_565 4_565
C3 Fe C8 157.7(4) . 4_565
C2 Fe C8 159.4(3) . .
C6 Fe C8 67.6(6) . .
C7 Fe C8 68.6(5) 4_565 .
C7 Fe C8 40.5(4) . .
C3 Fe C8 157.7(4) 4_565 .
C3 Fe C8 122.3(5) . .
C8 Fe C8 40.6(6) 4_565 .
C2 Fe C4 66.5(5) . 4_565
C6 Fe C4 159.1(3) . 4_565
C7 Fe C4 122.4(5) 4_565 4_565
C7 Fe C4 158.6(4) . 4_565
C3 Fe C4 39.2(4) 4_565 4_565
C3 Fe C4 67.5(4) . 4_565
C8 Fe C4 107.6(4) 4_565 4_565
C8 Fe C4 123.0(4) . 4_565
C2 Fe C4 66.5(5) . .
C6 Fe C4 159.1(3) . .
C7 Fe C4 158.6(4) 4_565 .
C7 Fe C4 122.4(5) . .
C3 Fe C4 67.5(4) 4_565 .
C3 Fe C4 39.2(4) . .
C8 Fe C4 123.0(4) 4_565 .
C8 Fe C4 107.6(4) . .
C4 Fe C4 40.7(6) 4_565 .
C1 Au1 C9 177.0(8) . .
C1 Au1 Au2 92.9(7) . .
C9 Au1 Au2 90.1(5) . .
C5 Au2 C20 175.3(7) . .
C5 Au2 Au1 81.7(5) . .
C20 Au2 Au1 103.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.20(2) .
C1 Au1 1.92(2) .
C2 N1 1.413(19) .
C2 C3 1.426(14) 4_565
C2 C3 1.426(14) .
C2 Fe 2.047(18) .
C3 C4 1.388(15) .
C3 Fe 2.062(12) .
C3 H3 0.9500 .
C4 C4 1.45(2) 4_565
C4 Fe 2.078(11) .
C4 H4 0.9500 .
C5 N2 1.14(2) .
C5 Au2 1.977(16) .
C6 N2 1.42(2) .
C6 C7 1.429(15) .
C6 C7 1.429(15) 4_565
C6 Fe 2.048(18) .
C7 C8 1.429(15) .
C7 Fe 2.057(12) .
C7 H7 0.9500 .
C8 C8 1.44(2) 4_565
C8 Fe 2.071(12) .
C8 H8 0.9500 .
C9 C10 1.24(2) .
C9 Au1 1.97(2) .
C10 C11 1.43(2) .
C11 C12 1.38(3) .
C11 C16 1.41(2) .
C12 C13 1.36(2) .
C12 H12 0.9500 .
C13 C14 1.45(2) .
C13 H13 0.9500 .
C14 C15 1.34(3) .
C14 C26 1.50(2) .
C15 C16 1.37(2) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C20 C21 1.20(2) .
C20 Au2 1.989(13) .
C21 C22 1.45(2) .
C22 C23 1.428(13) 4_565
C22 C23 1.428(13) .
C23 C24 1.362(16) .
C23 H23 0.9500 .
C24 C25 1.413(13) .
C24 H24 0.9500 .
C25 C24 1.413(13) 4_565
C25 C27 1.48(2) .
C26 F3 1.26(2) .
C26 F4 1.338(14) 4_565
C26 F4 1.338(15) .
C27 F2 1.356(12) 4_565
C27 F2 1.356(12) .
C27 F1 1.39(2) .
Fe C7 2.057(12) 4_565
Fe C3 2.062(12) 4_565
Fe C8 2.071(12) 4_565
Fe C4 2.078(11) 4_565
Au1 Au2 3.3011(11) .
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
N1 C2 C3 C4 177.6(14) . .
C3 C2 C3 C4 1.7(19) 4_565 .
Fe C2 C3 C4 61.4(9) . .
N1 C2 C3 Fe 116.3(16) . .
C3 C2 C3 Fe -59.7(12) 4_565 .
C2 C3 C4 C4 -1.0(12) . 4_565
Fe C3 C4 C4 59.1(4) . 4_565
C2 C3 C4 Fe -60.1(10) . .
N2 C6 C7 C8 -177.4(14) . .
C7 C6 C7 C8 -2(2) 4_565 .
Fe C6 C7 C8 -60.7(9) . .
N2 C6 C7 Fe -116.6(17) . .
C7 C6 C7 Fe 58.7(13) 4_565 .
C6 C7 C8 C8 1.2(12) . 4_565
Fe C7 C8 C8 -58.8(3) . 4_565
C6 C7 C8 Fe 60.1(10) . .
C16 C11 C12 C13 0.000(4) . .
C10 C11 C12 C13 180.000(3) . .
C11 C12 C13 C14 0.000(5) . .
C12 C13 C14 C15 0.000(4) . .
C12 C13 C14 C26 180.000(4) . .
C13 C14 C15 C16 0.000(4) . .
C26 C14 C15 C16 180.000(4) . .
C14 C15 C16 C11 0.000(4) . .
C12 C11 C16 C15 0.000(3) . .
C10 C11 C16 C15 180.000(2) . .
C23 C22 C23 C24 -6(2) 4_565 .
C21 C22 C23 C24 170.6(13) . .
C22 C23 C24 C25 1(2) . .
C23 C24 C25 C24 5(3) . 4_565
C23 C24 C25 C27 -176.7(14) . .
C15 C14 C26 F3 180.000(5) . .
C13 C14 C26 F3 0.000(5) . .
C15 C14 C26 F4 -57.3(13) . 4_565
C13 C14 C26 F4 122.7(13) . 4_565
C15 C14 C26 F4 57.3(13) . .
C13 C14 C26 F4 -122.7(13) . .
C24 C25 C27 F2 27(2) 4_565 4_565
C24 C25 C27 F2 -151.9(14) . 4_565
C24 C25 C27 F2 151.9(14) 4_565 .
C24 C25 C27 F2 -27(2) . .
C24 C25 C27 F1 -90.7(15) 4_565 .
C24 C25 C27 F1 90.7(15) . .
N1 C2 Fe C6 0.000(1) . .
C3 C2 Fe C6 -120.0(6) 4_565 .
C3 C2 Fe C6 120.0(6) . .
N1 C2 Fe C7 43.5(4) . 4_565
C3 C2 Fe C7 -76.5(8) 4_565 4_565
C3 C2 Fe C7 163.5(6) . 4_565
N1 C2 Fe C7 -43.5(4) . .
C3 C2 Fe C7 -163.5(6) 4_565 .
C3 C2 Fe C7 76.5(8) . .
N1 C2 Fe C3 120.0(6) . 4_565
C3 C2 Fe C3 -120.0(12) . 4_565
N1 C2 Fe C3 -120.0(6) . .
C3 C2 Fe C3 120.0(12) 4_565 .
N1 C2 Fe C8 80.5(13) . 4_565
C3 C2 Fe C8 -39.5(17) 4_565 4_565
C3 C2 Fe C8 -159.6(12) . 4_565
N1 C2 Fe C8 -80.4(13) . .
C3 C2 Fe C8 159.6(12) 4_565 .
C3 C2 Fe C8 39.5(17) . .
N1 C2 Fe C4 157.7(4) . 4_565
C3 C2 Fe C4 37.7(7) 4_565 4_565
C3 C2 Fe C4 -82.3(7) . 4_565
N1 C2 Fe C4 -157.7(4) . .
C3 C2 Fe C4 82.3(7) 4_565 .
C3 C2 Fe C4 -37.7(7) . .
N2 C6 Fe C2 0.000(1) . .
C7 C6 Fe C2 -119.4(8) . .
C7 C6 Fe C2 119.4(8) 4_565 .
N2 C6 Fe C7 -119.4(8) . 4_565
C7 C6 Fe C7 121.3(15) . 4_565
N2 C6 Fe C7 119.4(8) . .
C7 C6 Fe C7 -121.3(15) 4_565 .
N2 C6 Fe C3 -43.3(5) . 4_565
C7 C6 Fe C3 -162.7(7) . 4_565
C7 C6 Fe C3 76.1(11) 4_565 4_565
N2 C6 Fe C3 43.3(5) . .
C7 C6 Fe C3 -76.1(11) . .
C7 C6 Fe C3 162.7(7) 4_565 .
N2 C6 Fe C8 -158.0(4) . 4_565
C7 C6 Fe C8 82.7(9) . 4_565
C7 C6 Fe C8 -38.6(8) 4_565 4_565
N2 C6 Fe C8 158.0(4) . .
C7 C6 Fe C8 38.6(8) . .
C7 C6 Fe C8 -82.7(9) 4_565 .
N2 C6 Fe C4 -77.3(17) . 4_565
C7 C6 Fe C4 163.4(14) . 4_565
C7 C6 Fe C4 42(2) 4_565 4_565
N2 C6 Fe C4 77.3(17) . .
C7 C6 Fe C4 -42(2) . .
C7 C6 Fe C4 -163.4(14) 4_565 .
C6 C7 Fe C2 81.6(9) . .
C8 C7 Fe C2 -161.0(6) . .
C8 C7 Fe C6 117.4(11) . .
C6 C7 Fe C7 -36.6(9) . 4_565
C8 C7 Fe C7 80.8(7) . 4_565
C6 C7 Fe C3 47.7(19) . 4_565
C8 C7 Fe C3 165.1(13) . 4_565
C6 C7 Fe C3 123.2(9) . .
C8 C7 Fe C3 -119.4(7) . .
C6 C7 Fe C8 -80.1(9) . 4_565
C8 C7 Fe C8 37.3(7) . 4_565
C6 C7 Fe C8 -117.4(11) . .
C6 C7 Fe C4 -163.8(13) . 4_565
C8 C7 Fe C4 -46.4(16) . 4_565
C6 C7 Fe C4 163.6(9) . .
C8 C7 Fe C4 -79.0(8) . .
C4 C3 Fe C2 -117.4(10) . .
C4 C3 Fe C6 161.6(7) . .
C2 C3 Fe C6 -81.0(8) . .
C4 C3 Fe C7 -162.4(13) . 4_565
C2 C3 Fe C7 -45.0(18) . 4_565
C4 C3 Fe C7 120.0(7) . .
C2 C3 Fe C7 -122.6(7) . .
C4 C3 Fe C3 -80.2(7) . 4_565
C2 C3 Fe C3 37.2(7) . 4_565
C4 C3 Fe C8 43.7(15) . 4_565
C2 C3 Fe C8 161.1(11) . 4_565
C4 C3 Fe C8 78.0(8) . .
C2 C3 Fe C8 -164.6(7) . .
C4 C3 Fe C4 -37.8(7) . 4_565
C2 C3 Fe C4 79.6(7) . 4_565
C2 C3 Fe C4 117.4(10) . .
C7 C8 Fe C2 49.8(16) . .
C8 C8 Fe C2 169.8(14) 4_565 .
C7 C8 Fe C6 -38.8(6) . .
C8 C8 Fe C6 81.2(3) 4_565 .
C7 C8 Fe C7 -82.9(8) . 4_565
C8 C8 Fe C7 37.2(4) 4_565 4_565
C8 C8 Fe C7 120.0(6) 4_565 .
C7 C8 Fe C3 -167.0(11) . 4_565
C8 C8 Fe C3 -47.0(11) 4_565 4_565
C7 C8 Fe C3 79.1(7) . .
C8 C8 Fe C3 -160.8(4) 4_565 .
C7 C8 Fe C8 -120.0(6) . 4_565
C7 C8 Fe C4 161.6(6) . 4_565
C8 C8 Fe C4 -78.4(5) 4_565 4_565
C7 C8 Fe C4 119.5(7) . .
C8 C8 Fe C4 -120.4(4) 4_565 .
C3 C4 Fe C2 39.1(7) . .
C4 C4 Fe C2 -80.7(3) 4_565 .
C3 C4 Fe C6 -47(2) . .
C4 C4 Fe C6 -166.4(18) 4_565 .
C3 C4 Fe C7 164.1(12) . 4_565
C4 C4 Fe C7 44.3(13) 4_565 4_565
C3 C4 Fe C7 -77.8(8) . .
C4 C4 Fe C7 162.4(5) 4_565 .
C3 C4 Fe C3 83.4(10) . 4_565
C4 C4 Fe C3 -36.4(4) 4_565 4_565
C4 C4 Fe C3 -119.8(6) 4_565 .
C3 C4 Fe C8 -161.8(7) . 4_565
C4 C4 Fe C8 78.4(5) 4_565 4_565
C3 C4 Fe C8 -119.8(7) . .
C4 C4 Fe C8 120.4(4) 4_565 .
C3 C4 Fe C4 119.8(6) . 4_565
C1 Au1 Au2 C5 0.0 . .
C9 Au1 Au2 C5 180.0 . .
C1 Au1 Au2 C20 180.0 . .
C9 Au1 Au2 C20 0.0 . .
