#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:26:59 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179579 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/44/4504418.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_4504418
loop_
_publ_author_name
'Zhou, Jian'
'Zhang, Yong'
'Bian, Guo-Qing'
'Zhu, Qin-Yu'
'Li, Chun-Ying'
'Dai, Jie'
_publ_section_title
;
 Solvothermal Synthesis of a Series of Telluridoindate Compounds
 Displaying Three Types of One-Dimensional Polymeric Anion Chains with the
 Formula {[InTe2]-}∞
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1889
_journal_paper_doi               10.1021/cg070552u
_journal_volume                  7
_journal_year                    2007
_chemical_formula_moiety         '2(C6 H24 Fe N6), In4 Te8, C H4 N '
_chemical_formula_sum            'C13 H52 Fe2 In4 N13 Te8'
_chemical_formula_weight         1982.42
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                113.825(3)
_cell_angle_beta                 90.170(2)
_cell_angle_gamma                102.773(2)
_cell_formula_units_Z            2
_cell_length_a                   8.7193(12)
_cell_length_b                   16.186(3)
_cell_length_c                   17.674(3)
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      3.13
_cell_volume                     2213.4(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_sigmaI/netI    0.0730
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21740
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    7.881
_exptl_absorpt_correction_T_max  0.736
_exptl_absorpt_correction_T_min  0.243
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.968
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1762
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.577
_refine_diff_density_min         -1.439
_refine_diff_density_rms         0.275
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         8047
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0464
_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)+(0.0465P)²+8.2061P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1001
_refine_ls_wR_factor_ref         0.1117
_reflns_number_gt                6482
_reflns_number_total             8047
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg070552usi20070618_115133.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2213.3(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4504418
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
Te5 Te 0.19872(8) 0.38505(5) 0.34885(4) 0.01731(16) Uani 1 1 d .
Te7 Te -0.14470(8) 0.12396(5) 0.35303(4) 0.01991(17) Uani 1 1 d .
Te8 Te -0.01973(8) -0.12459(5) 0.39198(4) 0.02032(17) Uani 1 1 d .
Te6 Te 0.34162(8) 0.15021(5) 0.40235(4) 0.02090(17) Uani 1 1 d .
Te4 Te 0.18525(9) 0.13611(5) 0.14015(4) 0.02461(18) Uani 1 1 d .
Te3 Te -0.13252(8) 0.32158(5) 0.11132(4) 0.01873(17) Uani 1 1 d .
Te2 Te 0.35808(8) 0.41619(5) 0.10256(5) 0.02599(19) Uani 1 1 d .
Te1 Te -0.00416(9) 0.61202(5) 0.11644(4) 0.02158(17) Uani 1 1 d .
In1 In 0.07024(9) 0.43796(5) 0.05235(4) 0.01868(18) Uani 1 1 d .
In2 In 0.15618(9) 0.31361(5) 0.17154(4) 0.01805(18) Uani 1 1 d .
In3 In 0.14288(9) 0.19320(5) 0.30824(4) 0.01754(17) Uani 1 1 d .
In4 In 0.04942(9) 0.06677(5) 0.43824(4) 0.01710(17) Uani 1 1 d .
Fe2 Fe 0.76885(17) 0.53753(10) 0.35760(9) 0.0171(3) Uani 1 1 d .
Fe1 Fe 0.43271(18) 0.88216(11) 0.14299(9) 0.0203(3) Uani 1 1 d .
N1 N 0.2379(9) 0.8924(6) 0.0688(5) 0.022(2) Uani 1 1 d .
H1A H 0.2552 0.9520 0.0721 0.026 Uiso 1 1 calc R
H1B H 0.2341 0.8522 0.0139 0.026 Uiso 1 1 calc R
N2 N 0.2393(11) 0.8813(7) 0.2229(5) 0.030(2) Uani 1 1 d .
H2A H 0.2041 0.8226 0.2213 0.036 Uiso 1 1 calc R
H2B H 0.2764 0.9218 0.2770 0.036 Uiso 1 1 calc R
N3 N 0.4067(12) 0.7293(7) 0.0855(5) 0.030(2) Uani 1 1 d .
H3A H 0.3014 0.6990 0.0767 0.036 Uiso 1 1 calc R
H3B H 0.4476 0.7120 0.0350 0.036 Uiso 1 1 calc R
N4 N 0.5974(11) 0.8674(6) 0.2297(6) 0.027(2) Uani 1 1 d .
H4A H 0.6867 0.9156 0.2459 0.032 Uiso 1 1 calc R
H4B H 0.5498 0.8686 0.2764 0.032 Uiso 1 1 calc R
N5 N 0.6158(11) 0.8943(7) 0.0576(5) 0.032(2) Uani 1 1 d .
H5A H 0.6727 0.8502 0.0485 0.039 Uiso 1 1 calc R
H5B H 0.5684 0.8849 0.0072 0.039 Uiso 1 1 calc R
N6 N 0.5250(11) 1.0352(6) 0.1905(5) 0.024(2) Uani 1 1 d .
H6A H 0.4419 1.0634 0.1987 0.029 Uiso 1 1 calc R
H6B H 0.5846 1.0572 0.2408 0.029 Uiso 1 1 calc R
N7 N 0.6799(10) 0.6076(6) 0.2865(5) 0.025(2) Uani 1 1 d .
H7A H 0.7635 0.6411 0.2711 0.030 Uiso 1 1 calc R
H7B H 0.6174 0.5638 0.2392 0.030 Uiso 1 1 calc R
N8 N 0.5760(10) 0.5871(6) 0.4314(5) 0.023(2) Uani 1 1 d .
H8A H 0.5126 0.5392 0.4407 0.028 Uiso 1 1 calc R
H8B H 0.6184 0.6346 0.4821 0.028 Uiso 1 1 calc R
N9 N 0.6166(10) 0.3991(6) 0.2781(5) 0.021(2) Uani 1 1 d .
H9A H 0.5121 0.4004 0.2833 0.026 Uiso 1 1 calc R
H9B H 0.6336 0.3847 0.2233 0.026 Uiso 1 1 calc R
N10 N 0.8107(10) 0.4526(6) 0.4232(5) 0.021(2) Uani 1 1 d .
H10A H 0.9070 0.4383 0.4125 0.026 Uiso 1 1 calc R
H10B H 0.8129 0.4860 0.4796 0.026 Uiso 1 1 calc R
N11 N 0.9803(10) 0.5379(6) 0.2928(5) 0.021(2) Uani 1 1 d .
H11A H 1.0276 0.4934 0.2952 0.025 Uiso 1 1 calc R
H11B H 0.9530 0.5233 0.2378 0.025 Uiso 1 1 calc R
N12 N 0.9380(10) 0.6651(6) 0.4491(5) 0.022(2) Uani 1 1 d .
H12A H 0.9120 0.7174 0.4499 0.027 Uiso 1 1 calc R
H12B H 0.9328 0.6664 0.5016 0.027 Uiso 1 1 calc R
N13 N 0.4423(13) 0.8838(7) 0.4029(6) 0.042(3) Uani 1 1 d .
C12 C 1.0989(13) 0.6637(8) 0.4249(6) 0.026(3) Uani 1 1 d .
H12C H 1.1417 0.6219 0.4427 0.031 Uiso 1 1 calc R
H12D H 1.1693 0.7271 0.4519 0.031 Uiso 1 1 calc R
C11 C 1.0911(11) 0.6290(7) 0.3303(6) 0.016(2) Uani 1 1 d .
H11C H 1.0555 0.6732 0.3129 0.019 Uiso 1 1 calc R
H11D H 1.1971 0.6242 0.3118 0.019 Uiso 1 1 calc R
C6 C 0.6226(14) 1.0584(8) 0.1309(7) 0.033(3) Uani 1 1 d .
H6C H 0.6916 1.1220 0.1588 0.039 Uiso 1 1 calc R
H6D H 0.5541 1.0563 0.0850 0.039 Uiso 1 1 calc R
C5 C 0.7218(13) 0.9887(8) 0.0969(7) 0.030(3) Uani 1 1 d .
H5C H 0.7866 1.0020 0.0553 0.036 Uiso 1 1 calc R
H5D H 0.7939 0.9930 0.1424 0.036 Uiso 1 1 calc R
C2 C 0.1062(13) 0.9091(9) 0.1949(7) 0.034(3) Uani 1 1 d .
H2C H 0.1283 0.9778 0.2174 0.040 Uiso 1 1 calc R
H2D H 0.0078 0.8864 0.2158 0.040 Uiso 1 1 calc R
C1 C 0.0860(12) 0.8684(7) 0.1017(6) 0.026(3) Uani 1 1 d .
H1C H 0.0480 0.7998 0.0797 0.032 Uiso 1 1 calc R
H1D H 0.0057 0.8925 0.0828 0.032 Uiso 1 1 calc R
C8 C 0.4808(13) 0.6205(9) 0.3858(7) 0.030(3) Uani 1 1 d .
H8C H 0.4247 0.6641 0.4253 0.036 Uiso 1 1 calc R
H8D H 0.4008 0.5672 0.3450 0.036 Uiso 1 1 calc R
C7 C 0.5876(13) 0.6700(8) 0.3405(7) 0.031(3) Uani 1 1 d .
H7C H 0.5223 0.6880 0.3066 0.037 Uiso 1 1 calc R
H7D H 0.6600 0.7273 0.3816 0.037 Uiso 1 1 calc R
C3 C 0.4916(14) 0.7033(8) 0.1414(7) 0.030(3) Uani 1 1 d .
H3C H 0.5198 0.6437 0.1088 0.036 Uiso 1 1 calc R
H3D H 0.4216 0.6942 0.1829 0.036 Uiso 1 1 calc R
C4 C 0.6399(13) 0.7777(8) 0.1859(7) 0.027(3) Uani 1 1 d .
H4C H 0.6910 0.7613 0.2263 0.032 Uiso 1 1 calc R
H4D H 0.7154 0.7824 0.1453 0.032 Uiso 1 1 calc R
C13 C 0.5323(14) 0.9796(8) 0.4579(7) 0.031(3) Uani 1 1 d .
C10 C 0.6826(13) 0.3650(8) 0.3949(6) 0.026(3) Uani 1 1 d .
H10C H 0.5856 0.3779 0.4214 0.031 Uiso 1 1 calc R
H10D H 0.7161 0.3188 0.4103 0.031 Uiso 1 1 calc R
C9 C 0.6507(14) 0.3276(7) 0.3017(6) 0.026(3) Uani 1 1 d .
H9C H 0.7441 0.3077 0.2753 0.031 Uiso 1 1 calc R
H9D H 0.5596 0.2726 0.2815 0.031 Uiso 1 1 calc R
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'
In In -0.7276 1.3100 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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
In3 Te5 In2 80.20(3) . .
In3 Te7 In4 81.64(3) . .
In4 Te8 In4 81.26(3) . 2_556
In3 Te6 In4 81.15(3) . .
In2 Te4 In3 82.31(3) . .
In2 Te3 In1 80.87(3) . .
In2 Te2 In1 81.09(3) . .
In1 Te1 In1 80.55(3) 2_565 .
Te1 In1 Te2 116.86(3) 2_565 .
Te1 In1 Te1 99.45(3) 2_565 .
Te2 In1 Te1 121.32(3) . .
Te1 In1 Te3 113.14(3) 2_565 .
Te2 In1 Te3 98.19(3) . .
Te1 In1 Te3 108.23(3) . .
Te4 In2 Te2 118.48(3) . .
Te4 In2 Te3 114.86(3) . .
Te2 In2 Te3 99.49(3) . .
Te4 In2 Te5 96.54(3) . .
Te2 In2 Te5 115.24(3) . .
Te3 In2 Te5 113.19(3) . .
Te7 In3 Te6 99.15(3) . .
Te7 In3 Te4 119.00(3) . .
Te6 In3 Te4 116.49(3) . .
Te7 In3 Te5 112.29(3) . .
Te6 In3 Te5 113.61(3) . .
Te4 In3 Te5 97.17(3) . .
Te8 In4 Te8 98.74(3) . 2_556
Te8 In4 Te7 114.60(3) . .
Te8 In4 Te7 115.46(3) 2_556 .
Te8 In4 Te6 117.55(3) . .
Te8 In4 Te6 113.83(3) 2_556 .
Te7 In4 Te6 97.74(3) . .
N11 Fe2 N10 99.0(3) . .
N11 Fe2 N9 101.6(3) . .
N10 Fe2 N9 78.0(3) . .
N11 Fe2 N8 160.7(3) . .
N10 Fe2 N8 95.0(3) . .
N9 Fe2 N8 94.2(3) . .
N11 Fe2 N12 78.3(3) . .
N10 Fe2 N12 92.5(3) . .
N9 Fe2 N12 170.4(3) . .
N8 Fe2 N12 87.9(3) . .
N11 Fe2 N7 89.0(3) . .
N10 Fe2 N7 169.3(3) . .
N9 Fe2 N7 93.4(3) . .
N8 Fe2 N7 79.1(3) . .
N12 Fe2 N7 96.2(3) . .
N2 Fe1 N4 92.2(3) . .
N2 Fe1 N1 78.6(3) . .
N4 Fe1 N1 170.7(3) . .
N2 Fe1 N3 96.3(4) . .
N4 Fe1 N3 79.2(3) . .
N1 Fe1 N3 100.1(3) . .
N2 Fe1 N6 98.1(3) . .
N4 Fe1 N6 94.1(3) . .
N1 Fe1 N6 88.7(3) . .
N3 Fe1 N6 164.3(3) . .
N2 Fe1 N5 173.1(4) . .
N4 Fe1 N5 93.6(3) . .
N1 Fe1 N5 95.6(3) . .
N3 Fe1 N5 88.3(4) . .
N6 Fe1 N5 77.9(3) . .
C1 N1 Fe1 109.1(6) . .
C1 N1 H1A 109.9 . .
Fe1 N1 H1A 109.9 . .
C1 N1 H1B 109.9 . .
Fe1 N1 H1B 109.9 . .
H1A N1 H1B 108.3 . .
C2 N2 Fe1 110.7(7) . .
C2 N2 H2A 109.5 . .
Fe1 N2 H2A 109.5 . .
C2 N2 H2B 109.5 . .
Fe1 N2 H2B 109.5 . .
H2A N2 H2B 108.1 . .
C3 N3 Fe1 109.1(7) . .
C3 N3 H3A 109.9 . .
Fe1 N3 H3A 109.9 . .
C3 N3 H3B 109.9 . .
Fe1 N3 H3B 109.9 . .
H3A N3 H3B 108.3 . .
C4 N4 Fe1 107.8(6) . .
C4 N4 H4A 110.1 . .
Fe1 N4 H4A 110.1 . .
C4 N4 H4B 110.1 . .
Fe1 N4 H4B 110.1 . .
H4A N4 H4B 108.5 . .
C5 N5 Fe1 108.1(6) . .
C5 N5 H5A 110.1 . .
Fe1 N5 H5A 110.1 . .
C5 N5 H5B 110.1 . .
Fe1 N5 H5B 110.1 . .
H5A N5 H5B 108.4 . .
C6 N6 Fe1 110.2(6) . .
C6 N6 H6A 109.6 . .
Fe1 N6 H6A 109.6 . .
C6 N6 H6B 109.6 . .
Fe1 N6 H6B 109.6 . .
H6A N6 H6B 108.1 . .
C7 N7 Fe2 108.1(6) . .
C7 N7 H7A 110.1 . .
Fe2 N7 H7A 110.1 . .
C7 N7 H7B 110.1 . .
Fe2 N7 H7B 110.1 . .
H7A N7 H7B 108.4 . .
C8 N8 Fe2 109.6(6) . .
C8 N8 H8A 109.7 . .
Fe2 N8 H8A 109.7 . .
C8 N8 H8B 109.7 . .
Fe2 N8 H8B 109.7 . .
H8A N8 H8B 108.2 . .
C9 N9 Fe2 110.7(6) . .
C9 N9 H9A 109.5 . .
Fe2 N9 H9A 109.5 . .
C9 N9 H9B 109.5 . .
Fe2 N9 H9B 109.5 . .
H9A N9 H9B 108.1 . .
C10 N10 Fe2 110.0(6) . .
C10 N10 H10A 109.7 . .
Fe2 N10 H10A 109.7 . .
C10 N10 H10B 109.7 . .
Fe2 N10 H10B 109.7 . .
H10A N10 H10B 108.2 . .
C11 N11 Fe2 110.5(6) . .
C11 N11 H11A 109.5 . .
Fe2 N11 H11A 109.5 . .
C11 N11 H11B 109.5 . .
Fe2 N11 H11B 109.5 . .
H11A N11 H11B 108.1 . .
C12 N12 Fe2 108.9(6) . .
C12 N12 H12A 109.9 . .
Fe2 N12 H12A 109.9 . .
C12 N12 H12B 109.9 . .
Fe2 N12 H12B 109.9 . .
H12A N12 H12B 108.3 . .
N12 C12 C11 108.2(8) . .
N12 C12 H12C 110.1 . .
C11 C12 H12C 110.1 . .
N12 C12 H12D 110.1 . .
C11 C12 H12D 110.1 . .
H12C C12 H12D 108.4 . .
N11 C11 C12 108.6(8) . .
N11 C11 H11C 110.0 . .
C12 C11 H11C 110.0 . .
N11 C11 H11D 110.0 . .
C12 C11 H11D 110.0 . .
H11C C11 H11D 108.4 . .
N6 C6 C5 108.5(9) . .
N6 C6 H6C 110.0 . .
C5 C6 H6C 110.0 . .
N6 C6 H6D 110.0 . .
C5 C6 H6D 110.0 . .
H6C C6 H6D 108.4 . .
N5 C5 C6 108.8(9) . .
N5 C5 H5C 109.9 . .
C6 C5 H5C 109.9 . .
N5 C5 H5D 109.9 . .
C6 C5 H5D 109.9 . .
H5C C5 H5D 108.3 . .
N2 C2 C1 109.2(9) . .
N2 C2 H2C 109.8 . .
C1 C2 H2C 109.8 . .
N2 C2 H2D 109.8 . .
C1 C2 H2D 109.8 . .
H2C C2 H2D 108.3 . .
N1 C1 C2 110.7(8) . .
N1 C1 H1C 109.5 . .
C2 C1 H1C 109.5 . .
N1 C1 H1D 109.5 . .
C2 C1 H1D 109.5 . .
H1C C1 H1D 108.1 . .
N8 C8 C7 110.1(9) . .
N8 C8 H8C 109.6 . .
C7 C8 H8C 109.6 . .
N8 C8 H8D 109.6 . .
C7 C8 H8D 109.6 . .
H8C C8 H8D 108.1 . .
N7 C7 C8 109.6(9) . .
N7 C7 H7C 109.7 . .
C8 C7 H7C 109.7 . .
N7 C7 H7D 109.7 . .
C8 C7 H7D 109.7 . .
H7C C7 H7D 108.2 . .
N3 C3 C4 111.0(9) . .
N3 C3 H3C 109.4 . .
C4 C3 H3C 109.4 . .
N3 C3 H3D 109.4 . .
C4 C3 H3D 109.4 . .
H3C C3 H3D 108.0 . .
N4 C4 C3 108.9(9) . .
N4 C4 H4C 109.9 . .
C3 C4 H4C 109.9 . .
N4 C4 H4D 109.9 . .
C3 C4 H4D 109.9 . .
H4C C4 H4D 108.3 . .
N13 C13 C13 113.7(11) . 2_676
N10 C10 C9 107.7(8) . .
N10 C10 H10C 110.2 . .
C9 C10 H10C 110.2 . .
N10 C10 H10D 110.2 . .
C9 C10 H10D 110.2 . .
H10C C10 H10D 108.5 . .
N9 C9 C10 110.3(8) . .
N9 C9 H9C 109.6 . .
C10 C9 H9C 109.6 . .
N9 C9 H9D 109.6 . .
C10 C9 H9D 109.6 . .
H9C C9 H9D 108.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Te5 In3 2.8147(11) .
Te5 In2 2.8586(10) .
Te7 In3 2.7670(10) .
Te7 In4 2.7917(10) .
Te8 In4 2.7839(11) .
Te8 In4 2.7910(10) 2_556
Te6 In3 2.7757(10) .
Te6 In4 2.8102(10) .
Te4 In2 2.7678(11) .
Te4 In3 2.7849(10) .
Te3 In2 2.7793(10) .
Te3 In1 2.8079(10) .
Te2 In2 2.7745(10) .
Te2 In1 2.8002(10) .
Te1 In1 2.7784(10) 2_565
Te1 In1 2.8062(11) .
In1 Te1 2.7784(10) 2_565
In4 Te8 2.7910(10) 2_556
Fe2 N11 2.173(8) .
Fe2 N10 2.207(8) .
Fe2 N9 2.211(9) .
Fe2 N8 2.222(8) .
Fe2 N12 2.235(8) .
Fe2 N7 2.235(9) .
Fe1 N2 2.204(9) .
Fe1 N4 2.214(9) .
Fe1 N1 2.218(8) .
Fe1 N3 2.219(10) .
Fe1 N6 2.219(9) .
Fe1 N5 2.232(9) .
N1 C1 1.484(13) .
N1 H1A 0.9200 .
N1 H1B 0.9200 .
N2 C2 1.484(14) .
N2 H2A 0.9200 .
N2 H2B 0.9200 .
N3 C3 1.474(14) .
N3 H3A 0.9200 .
N3 H3B 0.9200 .
N4 C4 1.476(14) .
N4 H4A 0.9200 .
N4 H4B 0.9200 .
N5 C5 1.479(14) .
N5 H5A 0.9200 .
N5 H5B 0.9200 .
N6 C6 1.470(14) .
N6 H6A 0.9200 .
N6 H6B 0.9200 .
N7 C7 1.471(14) .
N7 H7A 0.9200 .
N7 H7B 0.9200 .
N8 C8 1.475(13) .
N8 H8A 0.9200 .
N8 H8B 0.9200 .
N9 C9 1.464(13) .
N9 H9A 0.9200 .
N9 H9B 0.9200 .
N10 C10 1.495(14) .
N10 H10A 0.9200 .
N10 H10B 0.9200 .
N11 C11 1.457(13) .
N11 H11A 0.9200 .
N11 H11B 0.9200 .
N12 C12 1.470(13) .
N12 H12A 0.9200 .
N12 H12B 0.9200 .
N13 C13 1.484(15) .
C12 C11 1.530(14) .
C12 H12C 0.9900 .
C12 H12D 0.9900 .
C11 H11C 0.9900 .
C11 H11D 0.9900 .
C6 C5 1.506(16) .
C6 H6C 0.9900 .
C6 H6D 0.9900 .
C5 H5C 0.9900 .
C5 H5D 0.9900 .
C2 C1 1.499(15) .
C2 H2C 0.9900 .
C2 H2D 0.9900 .
C1 H1C 0.9900 .
C1 H1D 0.9900 .
C8 C7 1.530(15) .
C8 H8C 0.9900 .
C8 H8D 0.9900 .
C7 H7C 0.9900 .
C7 H7D 0.9900 .
C3 C4 1.510(15) .
C3 H3C 0.9900 .
C3 H3D 0.9900 .
C4 H4C 0.9900 .
C4 H4D 0.9900 .
C13 C13 1.53(2) 2_676
C10 C9 1.508(14) .
C10 H10C 0.9900 .
C10 H10D 0.9900 .
C9 H9C 0.9900 .
C9 H9D 0.9900 .
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
In2 Te2 In1 Te1 -125.66(4) . 2_565
In2 Te2 In1 Te1 112.76(4) . .
In2 Te2 In1 Te3 -4.46(3) . .
In1 Te1 In1 Te1 0.0 2_565 2_565
In1 Te1 In1 Te2 129.60(4) 2_565 .
In1 Te1 In1 Te3 -118.31(4) 2_565 .
In2 Te3 In1 Te1 128.37(3) . 2_565
In2 Te3 In1 Te2 4.46(3) . .
In2 Te3 In1 Te1 -122.44(3) . .
In3 Te4 In2 Te2 138.09(4) . .
In3 Te4 In2 Te3 -104.65(3) . .
In3 Te4 In2 Te5 14.69(3) . .
In1 Te2 In2 Te4 129.67(4) . .
In1 Te2 In2 Te3 4.53(3) . .
In1 Te2 In2 Te5 -116.82(3) . .
In1 Te3 In2 Te4 -132.13(3) . .
In1 Te3 In2 Te2 -4.52(3) . .
In1 Te3 In2 Te5 118.30(3) . .
In3 Te5 In2 Te4 -14.62(3) . .
In3 Te5 In2 Te2 -140.39(4) . .
In3 Te5 In2 Te3 106.01(3) . .
In4 Te7 In3 Te6 -4.37(3) . .
In4 Te7 In3 Te4 122.91(4) . .
In4 Te7 In3 Te5 -124.67(3) . .
In4 Te6 In3 Te7 4.35(3) . .
In4 Te6 In3 Te4 -124.62(4) . .
In4 Te6 In3 Te5 123.67(3) . .
In2 Te4 In3 Te7 105.51(4) . .
In2 Te4 In3 Te6 -135.85(4) . .
In2 Te4 In3 Te5 -14.95(3) . .
In2 Te5 In3 Te7 -110.88(3) . .
In2 Te5 In3 Te6 137.61(3) . .
In2 Te5 In3 Te4 14.55(3) . .
In4 Te8 In4 Te8 0.0 2_556 2_556
In4 Te8 In4 Te7 -123.28(4) 2_556 .
In4 Te8 In4 Te6 122.77(4) 2_556 .
In3 Te7 In4 Te8 -120.83(3) . .
In3 Te7 In4 Te8 125.39(4) . 2_556
In3 Te7 In4 Te6 4.30(3) . .
In3 Te6 In4 Te8 118.71(4) . .
In3 Te6 In4 Te8 -126.60(4) . 2_556
In3 Te6 In4 Te7 -4.30(3) . .
N2 Fe1 N1 C1 -14.6(7) . .
N3 Fe1 N1 C1 79.9(7) . .
N6 Fe1 N1 C1 -113.1(7) . .
N5 Fe1 N1 C1 169.2(7) . .
N4 Fe1 N2 C2 168.7(8) . .
N1 Fe1 N2 C2 -12.9(8) . .
N3 Fe1 N2 C2 -112.0(8) . .
N6 Fe1 N2 C2 74.2(8) . .
N2 Fe1 N3 C3 -83.1(7) . .
N4 Fe1 N3 C3 8.0(7) . .
N1 Fe1 N3 C3 -162.6(7) . .
N6 Fe1 N3 C3 73.8(14) . .
N5 Fe1 N3 C3 102.0(7) . .
N2 Fe1 N4 C4 116.5(7) . .
N3 Fe1 N4 C4 20.5(6) . .
N6 Fe1 N4 C4 -145.2(7) . .
N5 Fe1 N4 C4 -67.1(7) . .
N4 Fe1 N5 C5 -75.7(7) . .
N1 Fe1 N5 C5 105.3(7) . .
N3 Fe1 N5 C5 -154.7(8) . .
N6 Fe1 N5 C5 17.8(7) . .
N2 Fe1 N6 C6 -161.7(7) . .
N4 Fe1 N6 C6 105.4(7) . .
N1 Fe1 N6 C6 -83.4(7) . .
N3 Fe1 N6 C6 41.4(15) . .
N5 Fe1 N6 C6 12.6(7) . .
N11 Fe2 N7 C7 -146.8(7) . .
N10 Fe2 N7 C7 75.2(19) . .
N9 Fe2 N7 C7 111.7(7) . .
N8 Fe2 N7 C7 18.1(7) . .
N12 Fe2 N7 C7 -68.6(7) . .
N11 Fe2 N8 C8 63.2(13) . .
N10 Fe2 N8 C8 -160.4(7) . .
N9 Fe2 N8 C8 -82.1(7) . .
N12 Fe2 N8 C8 107.3(7) . .
N7 Fe2 N8 C8 10.6(7) . .
N11 Fe2 N9 C9 85.6(7) . .
N10 Fe2 N9 C9 -11.2(6) . .
N8 Fe2 N9 C9 -105.4(7) . .
N7 Fe2 N9 C9 175.3(7) . .
N11 Fe2 N10 C10 -117.6(7) . .
N9 Fe2 N10 C10 -17.6(6) . .
N8 Fe2 N10 C10 75.7(7) . .
N12 Fe2 N10 C10 163.8(7) . .
N7 Fe2 N10 C10 20(2) . .
N10 Fe2 N11 C11 -107.2(6) . .
N9 Fe2 N11 C11 173.3(6) . .
N8 Fe2 N11 C11 28.8(13) . .
N12 Fe2 N11 C11 -16.5(6) . .
N7 Fe2 N11 C11 80.0(6) . .
N11 Fe2 N12 C12 -14.0(6) . .
N10 Fe2 N12 C12 84.6(7) . .
N8 Fe2 N12 C12 179.5(7) . .
N7 Fe2 N12 C12 -101.7(7) . .
Fe2 N12 C12 C11 40.7(10) . .
Fe2 N11 C11 C12 43.6(9) . .
N12 C12 C11 N11 -56.7(11) . .
Fe1 N6 C6 C5 -40.6(10) . .
Fe1 N5 C5 C6 -45.3(10) . .
N6 C6 C5 N5 58.1(11) . .
Fe1 N2 C2 C1 38.2(11) . .
Fe1 N1 C1 C2 40.2(10) . .
N2 C2 C1 N1 -52.7(12) . .
Fe2 N8 C8 C7 -37.1(11) . .
Fe2 N7 C7 C8 -43.4(10) . .
N8 C8 C7 N7 55.1(12) . .
Fe1 N3 C3 C4 -35.3(11) . .
Fe1 N4 C4 C3 -45.4(9) . .
N3 C3 C4 N4 55.3(12) . .
Fe2 N10 C10 C9 42.8(10) . .
Fe2 N9 C9 C10 38.4(10) . .
N10 C10 C9 N9 -54.1(12) . .
