#------------------------------------------------------------------------------
#$Date: 2019-10-03 11:48:34 +0300 (Thu, 03 Oct 2019) $
#$Revision: 219062 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/43/7234329.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_7234329
loop_
_publ_author_name
'Jin-Yan Li'
'Chun-Ting He'
'Yan-Cong Chen'
'Ze-Min Zhang'
'Wei Liu'
'Zhao-Ping Ni'
'Ming-Liang Tong'
_publ_section_title
;
 Tunable cooperativity in a spin-crossover Hoffman-like metal-organic
 framework material by aromatic guests
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              7830
_journal_page_last               7835
_journal_paper_doi               10.1039/C5TC00432B
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'C26.3 H26.7 Au2 Fe N7.5 O1.8'
_chemical_formula_weight         926.43
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 100.790(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.1153(3)
_cell_length_b                   10.0824(3)
_cell_length_c                   15.4366(6)
_cell_measurement_reflns_used    2633
_cell_measurement_temperature    95(2)
_cell_measurement_theta_max      72.9470
_cell_measurement_theta_min      4.4350
_cell_volume                     1546.49(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      95(2)
_diffrn_detector_area_resol_mean 5.3262
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Cu Kα'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0392
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            5908
_diffrn_reflns_theta_full        73.72
_diffrn_reflns_theta_max         73.72
_diffrn_reflns_theta_min         4.45
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    21.471
_exptl_absorpt_correction_T_max  0.5652
_exptl_absorpt_correction_T_min  0.1410
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.990
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             871
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.830
_refine_diff_density_min         -3.909
_refine_diff_density_rms         0.265
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     176
_refine_ls_number_reflns         3206
_refine_ls_number_restraints     340
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0533
_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)+(0.0871P)²+12.3922P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1534
_refine_ls_wR_factor_ref         0.1606
_reflns_number_gt                2677
_reflns_number_total             3206
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2015-3-7830.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_original_formula_sum        'C26.30 H26.70 Au2 Fe N7.50 O1.80'
_cod_database_code               7234329
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.67241(13) 0.2500 0.39855(9) 0.0225(3) Uani 1 2 d S . .
Au1 Au 0.17459(3) 0.2500 0.40269(2) 0.02392(10) Uani 1 2 d S . .
N1 N 0.4792(8) 0.2500 0.3876(5) 0.0269(19) Uani 1 2 d S . .
N4 N 0.6569(7) 0.2500 0.2678(4) 0.029(2) Uani 1 2 d SD . .
N5 N 0.6817(8) 0.2500 -0.4698(5) 0.0282(19) Uani 1 2 d S . .
C1 C 0.3667(9) 0.2500 0.3892(6) 0.026(2) Uani 1 2 d S . .
C4A C 0.5773(14) 0.3312(14) 0.2112(9) 0.0591(19) Uani 0.504(10) 1 d PDU . 1
H4A H 0.5182 0.3884 0.2360 0.071 Uiso 0.504(10) 1 d PR . 1
C5A C 0.5706(14) 0.3345(15) 0.1229(11) 0.0670(19) Uani 0.504(10) 1 d PDU . 1
H5A H 0.5169 0.4018 0.0890 0.080 Uiso 0.504(10) 1 d PR . 1
C4B C 0.7216(14) 0.3463(13) 0.2289(11) 0.0572(18) Uani 0.496(10) 1 d PDU . 2
H4B H 0.7761 0.4121 0.2638 0.069 Uiso 0.496(10) 1 d PR . 2
C5B C 0.7100(16) 0.3434(14) 0.1402(11) 0.0688(19) Uani 0.496(10) 1 d PDU . 2
H5B H 0.7491 0.4156 0.1133 0.083 Uiso 0.496(10) 1 d PR . 2
C6 C 0.6450(14) 0.2500 0.0838(9) 0.0682(16) Uani 1 2 d SDU . .
C7 C 0.6499(8) 0.2500 -0.0102(7) 0.0705(16) Uani 1 2 d SDU . .
C8 C 0.5354(8) 0.2500 -0.0760(9) 0.0775(17) Uani 1 2 d SDU . .
H8A H 0.4500 0.2500 -0.0589 0.093 Uiso 1 2 calc SR . .
C9 C 0.5390(7) 0.2500 -0.1655(9) 0.0801(17) Uani 1 2 d SDU . .
H9A H 0.4572 0.2500 -0.2073 0.096 Uiso 1 2 calc SR . .
C10 C 0.6606(9) 0.2500 -0.1942(7) 0.0759(17) Uani 1 2 d SDU . .
C11 C 0.7790(9) 0.2500 -0.1292(6) 0.0856(17) Uani 1 2 d SDU . .
H11A H 0.8639 0.2500 -0.1472 0.103 Uiso 1 2 calc SR . .
C12 C 0.7753(8) 0.2500 -0.0382(7) 0.0832(17) Uani 1 2 d SDU . .
H12A H 0.8567 0.2500 0.0041 0.100 Uiso 1 2 calc SR . .
C13 C 0.6656(19) 0.2500 -0.2880(10) 0.075(2) Uani 1 2 d SU . .
C14 C 0.6583(14) 0.3566(15) -0.3361(8) 0.082(2) Uani 1 1 d U . .
H14A H 0.6474 0.4396 -0.3091 0.099 Uiso 1 1 calc R . .
C15 C 0.6655(14) 0.3549(14) -0.4232(7) 0.082(2) Uani 1 1 d U . .
H15A H 0.6580 0.4378 -0.4530 0.098 Uiso 1 1 calc R . .
N2 N 0.8658(8) 0.2500 0.4101(5) 0.0287(19) Uani 1 2 d S . .
C2 C 0.9782(10) 0.2500 0.4116(6) 0.034(2) Uani 1 2 d SU . .
N3 N 0.6752(5) 0.4402(7) 0.3973(3) 0.0298(15) Uani 1 1 d . . .
C3 C 0.6814(8) 0.5555(10) 0.3978(5) 0.0410(18) Uani 1 1 d U . .
Au2 Au 0.68507(4) 0.7500 0.40004(2) 0.02667(11) Uani 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
N3 Fe1 N3 177.7(3) 4_565 .
N3 Fe1 N1 90.91(17) 4_565 .
N3 Fe1 N1 90.91(17) . .
N3 Fe1 N2 89.09(17) 4_565 .
N3 Fe1 N2 89.09(17) . .
N1 Fe1 N2 179.7(3) . .
N3 Fe1 N4 89.31(16) 4_565 .
N3 Fe1 N4 89.31(16) . .
N1 Fe1 N4 91.4(3) . .
N2 Fe1 N4 88.8(3) . .
N3 Fe1 N5 90.72(16) 4_565 1_556
N3 Fe1 N5 90.72(16) . 1_556
N1 Fe1 N5 86.8(3) . 1_556
N2 Fe1 N5 92.9(3) . 1_556
N4 Fe1 N5 178.2(3) . 1_556
C1 Au1 C2 178.0(4) . 1_455
C1 Au1 Au2 80.0(3) . 3_666
C2 Au1 Au2 102.0(3) 1_455 3_666
C1 N1 Fe1 173.8(8) . .
C4A N4 C4A 74.8(14) 4_565 .
C4A N4 C4B 64.0(9) 4_565 4_565
C4A N4 C4B 115.0(11) . 4_565
C4A N4 C4B 115.0(11) 4_565 .
C4A N4 C4B 64.0(9) . .
C4B N4 C4B 90.3(14) 4_565 .
C4A N4 Fe1 125.4(8) 4_565 .
C4A N4 Fe1 125.4(8) . .
C4B N4 Fe1 119.3(8) 4_565 .
C4B N4 Fe1 119.3(8) . .
C15 N5 C15 108.1(13) . 4_565
C15 N5 Fe1 124.6(6) . 1_554
C15 N5 Fe1 124.6(6) 4_565 1_554
N1 C1 Au1 175.3(8) . .
N4 C4A C5A 125.4(14) . .
N4 C4A C4A 52.6(7) . 4_565
C5A C4A C4A 91.4(8) . 4_565
N4 C4A H4A 116.5 . .
C5A C4A H4A 118.0 . .
C4A C4A H4A 126.9 4_565 .
C4A C5A C6 120.5(15) . .
C4A C5A C5A 88.6(8) . 4_565
C6 C5A C5A 50.9(8) . 4_565
C4A C5A H5A 118.9 . .
C6 C5A H5A 120.5 . .
C5A C5A H5A 134.9 4_565 .
C5B C4B N4 118.0(13) . .
C5B C4B C4B 88.7(8) . 4_565
N4 C4B C4B 44.9(7) . 4_565
C5B C4B H4B 120.9 . .
N4 C4B H4B 121.0 . .
C4B C4B H4B 133.6 4_565 .
C4B C5B C6 126.9(15) . .
C4B C5B C5B 91.3(8) . 4_565
C6 C5B C5B 46.4(8) . 4_565
C4B C5B H5B 117.2 . .
C6 C5B H5B 115.8 . .
C5B C5B H5B 139.4 4_565 .
C5A C6 C5A 78.2(16) . 4_565
C5A C6 C5B 61.5(10) . .
C5A C6 C5B 113.1(14) 4_565 .
C5A C6 C5B 113.1(14) . 4_565
C5A C6 C5B 61.5(10) 4_565 4_565
C5B C6 C5B 87.3(15) . 4_565
C5A C6 C7 124.7(11) . .
C5A C6 C7 124.7(11) 4_565 .
C5B C6 C7 122.1(11) . .
C5B C6 C7 122.1(11) 4_565 .
C8 C7 C12 116.6(8) . .
C8 C7 C6 123.2(10) . .
C12 C7 C6 120.2(9) . .
C9 C8 C7 123.7(9) . .
C9 C8 H8A 118.2 . .
C7 C8 H8A 118.2 . .
C10 C9 C8 120.6(9) . .
C10 C9 H9A 119.7 . .
C8 C9 H9A 119.7 . .
C9 C10 C11 117.4(9) . .
C9 C10 C13 121.1(11) . .
C11 C10 C13 121.5(11) . .
C10 C11 C12 122.0(9) . .
C10 C11 H11A 119.0 . .
C12 C11 H11A 119.0 . .
C11 C12 C7 119.8(8) . .
C11 C12 H12A 120.1 . .
C7 C12 H12A 120.1 . .
C14 C13 C14 111.5(16) 4_565 .
C14 C13 C10 123.9(8) 4_565 .
C14 C13 C10 123.9(8) . .
C13 C14 C15 123.1(14) . .
C13 C14 H14A 118.5 . .
C15 C14 H14A 118.5 . .
N5 C15 C14 126.1(13) . .
N5 C15 H15A 116.9 . .
C14 C15 H15A 116.9 . .
C2 N2 Fe1 176.0(8) . .
N2 C2 Au1 175.0(9) . 1_655
C3 N3 Fe1 177.7(6) . .
N3 C3 Au2 177.8(7) . .
C3 Au2 C3 177.3(4) . 4_575
C3 Au2 Au1 91.2(2) . 3_666
C3 Au2 Au1 91.2(2) 4_575 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 N3 1.918(7) 4_565
Fe1 N3 1.918(7) .
Fe1 N1 1.930(8) .
Fe1 N2 1.930(8) .
Fe1 N4 1.995(7) .
Fe1 N5 2.017(8) 1_556
Au1 C1 1.993(9) .
Au1 C2 2.016(10) 1_455
Au1 Au2 3.1097(5) 3_666
N1 C1 1.142(12) .
N4 C4A 1.349(9) 4_565
N4 C4A 1.349(9) .
N4 C4B 1.370(9) 4_565
N4 C4B 1.370(9) .
N5 C15 1.307(14) .
N5 C15 1.307(14) 4_565
N5 Fe1 2.017(8) 1_554
C4A C5A 1.35(2) .
C4A C4A 1.64(3) 4_565
C4A H4A 0.9600 .
C5A C6 1.352(9) .
C5A C5A 1.70(3) 4_565
C5A H5A 0.9601 .
C4B C5B 1.35(2) .
C4B C4B 1.94(3) 4_565
C4B H4B 0.9600 .
C5B C6 1.365(9) .
C5B C5B 1.88(3) 4_565
C5B H5B 0.9599 .
C6 C5A 1.352(9) 4_565
C6 C5B 1.365(9) 4_565
C6 C7 1.461(16) .
C7 C8 1.390(8) .
C7 C12 1.415(8) .
C8 C9 1.387(19) .
C8 H8A 0.9500 .
C9 C10 1.384(8) .
C9 H9A 0.9500 .
C10 C11 1.411(8) .
C10 C13 1.459(19) .
C11 C12 1.413(9) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C14 1.300(16) 4_565
C13 C14 1.300(16) .
C14 C15 1.360(15) .
C14 H14A 0.9500 .
C15 H15A 0.9500 .
N2 C2 1.133(13) .
C2 Au1 2.016(10) 1_655
N3 C3 1.164(12) .
C3 Au2 1.962(10) .
Au2 C3 1.962(10) 4_575
Au2 Au1 3.1097(5) 3_666
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
N3 Fe1 N1 C1 90.67(16) 4_565 . . .
N3 Fe1 N1 C1 -90.67(16) . . . .
N2 Fe1 N1 C1 0.0(2) . . . .
N4 Fe1 N1 C1 180.000(14) . . . .
N5 Fe1 N1 C1 0.000(14) 1_556 . . .
N3 Fe1 N4 C4A 42.7(9) 4_565 . . 4_565
N3 Fe1 N4 C4A -139.1(9) . . . 4_565
N1 Fe1 N4 C4A -48.2(9) . . . 4_565
N2 Fe1 N4 C4A 131.8(9) . . . 4_565
N5 Fe1 N4 C4A -48.2(9) 1_556 . . 4_565
N3 Fe1 N4 C4A 139.1(9) 4_565 . . .
N3 Fe1 N4 C4A -42.7(9) . . . .
N1 Fe1 N4 C4A 48.2(9) . . . .
N2 Fe1 N4 C4A -131.8(9) . . . .
N5 Fe1 N4 C4A 48.2(9) 1_556 . . .
N3 Fe1 N4 C4B -34.7(8) 4_565 . . 4_565
N3 Fe1 N4 C4B 143.5(8) . . . 4_565
N1 Fe1 N4 C4B -125.6(8) . . . 4_565
N2 Fe1 N4 C4B 54.4(8) . . . 4_565
N5 Fe1 N4 C4B -125.6(8) 1_556 . . 4_565
N3 Fe1 N4 C4B -143.5(8) 4_565 . . .
N3 Fe1 N4 C4B 34.7(8) . . . .
N1 Fe1 N4 C4B 125.6(8) . . . .
N2 Fe1 N4 C4B -54.4(8) . . . .
N5 Fe1 N4 C4B 125.6(8) 1_556 . . .
Fe1 N1 C1 Au1 0.00(3) . . . .
C2 Au1 C1 N1 180.00(2) 1_455 . . .
Au2 Au1 C1 N1 0.000(18) 3_666 . . .
C4A N4 C4A C5A -59.7(16) 4_565 . . .
C4B N4 C4A C5A -8.6(18) 4_565 . . .
C4B N4 C4A C5A 68.7(15) . . . .
Fe1 N4 C4A C5A 177.4(10) . . . .
C4B N4 C4A C4A 51.1(8) 4_565 . . 4_565
C4B N4 C4A C4A 128.3(10) . . . 4_565
Fe1 N4 C4A C4A -122.9(10) . . . 4_565
N4 C4A C5A C6 2(2) . . . .
C4A C4A C5A C6 -41.7(12) 4_565 . . .
N4 C4A C5A C5A 43.3(13) . . . 4_565
C4A C4A C5A C5A 0.000(2) 4_565 . . 4_565
C4A N4 C4B C5B -6.0(16) 4_565 . . .
C4A N4 C4B C5B -62.6(14) . . . .
C4B N4 C4B C5B 55.2(16) 4_565 . . .
Fe1 N4 C4B C5B 179.6(9) . . . .
C4A N4 C4B C4B -61.2(10) 4_565 . . 4_565
C4A N4 C4B C4B -117.9(10) . . . 4_565
Fe1 N4 C4B C4B 124.3(10) . . . 4_565
N4 C4B C5B C6 -3(2) . . . .
C4B C4B C5B C6 32.2(14) 4_565 . . .
N4 C4B C5B C5B -35.4(11) . . . 4_565
C4B C4B C5B C5B 0.000(2) 4_565 . . 4_565
C4A C5A C6 C5A 59.0(16) . . . 4_565
C4A C5A C6 C5B -65.8(15) . . . .
C5A C5A C6 C5B -124.8(11) 4_565 . . .
C4A C5A C6 C5B 7.3(18) . . . 4_565
C5A C5A C6 C5B -51.7(9) 4_565 . . 4_565
C4A C5A C6 C7 -176.8(11) . . . .
C5A C5A C6 C7 124.1(15) 4_565 . . .
C4B C5B C6 C5A 70.9(17) . . . .
C5B C5B C6 C5A 118.2(13) 4_565 . . .
C4B C5B C6 C5A 10(2) . . . 4_565
C5B C5B C6 C5A 57.3(10) 4_565 . . 4_565
C4B C5B C6 C5B -47(2) . . . 4_565
C4B C5B C6 C7 -174.0(13) . . . .
C5B C5B C6 C7 -126.7(16) 4_565 . . .
C5A C6 C7 C8 -50.0(11) . . . .
C5A C6 C7 C8 50.0(11) 4_565 . . .
C5B C6 C7 C8 -125.5(11) . . . .
C5B C6 C7 C8 125.5(11) 4_565 . . .
C5A C6 C7 C12 130.0(11) . . . .
C5A C6 C7 C12 -130.0(11) 4_565 . . .
C5B C6 C7 C12 54.5(11) . . . .
C5B C6 C7 C12 -54.5(11) 4_565 . . .
C12 C7 C8 C9 0.0 . . . .
C6 C7 C8 C9 180.0 . . . .
C7 C8 C9 C10 0.0 . . . .
C8 C9 C10 C11 0.0 . . . .
C8 C9 C10 C13 180.000(2) . . . .
C9 C10 C11 C12 0.0 . . . .
C13 C10 C11 C12 180.0 . . . .
C10 C11 C12 C7 0.0 . . . .
C8 C7 C12 C11 0.0 . . . .
C6 C7 C12 C11 180.0 . . . .
C9 C10 C13 C14 -84.8(17) . . . 4_565
C11 C10 C13 C14 95.2(17) . . . 4_565
C9 C10 C13 C14 84.8(17) . . . .
C11 C10 C13 C14 -95.2(17) . . . .
C14 C13 C14 C15 -10(3) 4_565 . . .
C10 C13 C14 C15 178.8(14) . . . .
C15 N5 C15 C14 11(2) 4_565 . . .
Fe1 N5 C15 C14 173.3(11) 1_554 . . .
C13 C14 C15 N5 -1(3) . . . .
N3 Fe1 N2 C2 89.33(16) 4_565 . . .
N3 Fe1 N2 C2 -89.33(16) . . . .
N1 Fe1 N2 C2 180.0(2) . . . .
N4 Fe1 N2 C2 0.00(2) . . . .
N5 Fe1 N2 C2 180.00(2) 1_556 . . .
Fe1 N2 C2 Au1 0.00(4) . . . 1_655
N3 Fe1 N3 C3 -57(20) 4_565 . . .
N1 Fe1 N3 C3 159(15) . . . .
N2 Fe1 N3 C3 -21(15) . . . .
N4 Fe1 N3 C3 -110(15) . . . .
N5 Fe1 N3 C3 72(15) 1_556 . . .
Fe1 N3 C3 Au2 -138(15) . . . .
N3 C3 Au2 C3 -64(23) . . . 4_575
N3 C3 Au2 Au1 90(18) . . . 3_666
