#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:26:59 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179579 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/44/4504417.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_4504417
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 Mn N6), In4 Te8, C H4 N'
_chemical_formula_sum            'C13 H52 In4 Mn2 N13 Te8'
_chemical_formula_weight         1980.64
_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_creation_method           SHELXL-97
_cell_angle_alpha                113.937(3)
_cell_angle_beta                 90.396(2)
_cell_angle_gamma                102.834(2)
_cell_formula_units_Z            2
_cell_length_a                   8.7694(12)
_cell_length_b                   16.239(3)
_cell_length_c                   17.691(3)
_cell_measurement_reflns_used    21938
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      3.07
_cell_volume                     2231.8(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  0.0371
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21938
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    7.732
_exptl_absorpt_correction_T_max  0.286
_exptl_absorpt_correction_T_min  0.173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.947
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1766
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.945
_refine_diff_density_min         -1.412
_refine_diff_density_rms         0.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         8124
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.156
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0307P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0750
_refine_ls_wR_factor_ref         0.0789
_reflns_number_gt                7168
_reflns_number_total             8124
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg070552usi20070618_115133.cif
_cod_data_source_block           4
_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_sg_symbol_H-M      P-1
_cod_database_code               4504417
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 0.68168(6) 0.13626(3) 0.14025(3) 0.02306(12) Uani 1 1 d .
Te3 Te 0.83923(5) 0.14887(3) 0.40189(3) 0.01938(12) Uani 1 1 d .
Te1 Te 0.47871(6) -0.12463(3) 0.39240(3) 0.01882(12) Uani 1 1 d .
Te8 Te 0.49717(6) 0.61197(3) 0.11618(3) 0.02115(12) Uani 1 1 d .
Te7 Te 0.36678(5) 0.32326(3) 0.11271(3) 0.01767(11) Uani 1 1 d .
Te6 Te 0.85366(6) 0.41464(4) 0.10267(3) 0.02542(13) Uani 1 1 d .
Te4 Te 0.69911(5) 0.38460(3) 0.34967(3) 0.01571(11) Uani 1 1 d .
Te2 Te 0.35536(5) 0.12235(3) 0.35190(3) 0.01835(11) Uani 1 1 d .
In2 In 0.64178(6) 0.19277(3) 0.30846(3) 0.01619(12) Uani 1 1 d .
In1 In 0.54884(6) 0.06609(3) 0.43788(3) 0.01588(12) Uani 1 1 d .
In3 In 0.65314(6) 0.31361(3) 0.17259(3) 0.01664(12) Uani 1 1 d .
In4 In 0.56834(6) 0.43751(3) 0.05258(3) 0.01789(12) Uani 1 1 d .
Mn2 Mn 0.26953(12) 0.53450(7) 0.35553(6) 0.0173(2) Uani 1 1 d .
Mn1 Mn 0.92759(13) 0.88149(8) 0.14262(7) 0.0206(2) Uani 1 1 d .
N2 N 1.0255(7) 1.0383(4) 0.1890(4) 0.0259(15) Uani 1 1 d .
H2A H 0.9439 1.0669 0.1956 0.031 Uiso 1 1 calc R
H2B H 1.0839 1.0614 0.2398 0.031 Uiso 1 1 calc R
N1 N 1.1165(8) 0.8949(4) 0.0549(4) 0.0289(15) Uani 1 1 d .
H1A H 1.1719 0.8502 0.0450 0.035 Uiso 1 1 calc R
H1B H 1.0694 0.8865 0.0048 0.035 Uiso 1 1 calc R
N5 N 0.7235(7) 0.8907(4) 0.0684(4) 0.0204(13) Uani 1 1 d .
H5A H 0.7394 0.9501 0.0718 0.025 Uiso 1 1 calc R
H5B H 0.7184 0.8507 0.0134 0.025 Uiso 1 1 calc R
N6 N 0.7298(7) 0.8807(5) 0.2233(4) 0.0286(15) Uani 1 1 d .
H6A H 0.6936 0.8220 0.2210 0.034 Uiso 1 1 calc R
H6B H 0.7666 0.9208 0.2776 0.034 Uiso 1 1 calc R
N4 N 1.0944(7) 0.8653(4) 0.2323(4) 0.0267(15) Uani 1 1 d .
H4A H 1.1824 0.9142 0.2506 0.032 Uiso 1 1 calc R
H4B H 1.0454 0.8638 0.2776 0.032 Uiso 1 1 calc R
N3 N 0.9085(7) 0.7257(4) 0.0842(4) 0.0244(14) Uani 1 1 d .
H3A H 0.8043 0.6939 0.0737 0.029 Uiso 1 1 calc R
H3B H 0.9515 0.7094 0.0344 0.029 Uiso 1 1 calc R
N12 N 0.4902(7) 0.5414(4) 0.2929(3) 0.0183(13) Uani 1 1 d .
H12A H 0.5401 0.4984 0.2958 0.022 Uiso 1 1 calc R
H12B H 0.4653 0.5271 0.2377 0.022 Uiso 1 1 calc R
N11 N 0.4436(6) 0.6650(4) 0.4510(4) 0.0201(13) Uani 1 1 d .
H11A H 0.4160 0.7175 0.4535 0.024 Uiso 1 1 calc R
H11B H 0.4402 0.6649 0.5029 0.024 Uiso 1 1 calc R
N9 N 0.1744(7) 0.6046(4) 0.2830(4) 0.0241(14) Uani 1 1 d .
H9A H 0.2560 0.6372 0.2660 0.029 Uiso 1 1 calc R
H9B H 0.1091 0.5606 0.2366 0.029 Uiso 1 1 calc R
N10 N 0.0754(7) 0.5887(4) 0.4302(4) 0.0234(14) Uani 1 1 d .
H10A H 0.0103 0.5418 0.4398 0.028 Uiso 1 1 calc R
H10B H 0.1188 0.6362 0.4808 0.028 Uiso 1 1 calc R
N8 N 0.1107(7) 0.3918(4) 0.2766(4) 0.0216(14) Uani 1 1 d .
H8A H 0.0072 0.3934 0.2827 0.026 Uiso 1 1 calc R
H8B H 0.1249 0.3758 0.2214 0.026 Uiso 1 1 calc R
N7 N 0.3101(7) 0.4463(4) 0.4226(4) 0.0187(13) Uani 1 1 d .
H7A H 0.4045 0.4304 0.4113 0.022 Uiso 1 1 calc R
H7B H 0.3140 0.4795 0.4791 0.022 Uiso 1 1 calc R
N13 N 0.9417(9) 0.8829(5) 0.4034(5) 0.0380(18) Uani 1 1 d D
C1 C 1.2223(9) 0.9870(5) 0.0945(5) 0.033(2) Uani 1 1 d .
H1C H 1.2880 1.0001 0.0534 0.039 Uiso 1 1 calc R
H1D H 1.2929 0.9904 0.1401 0.039 Uiso 1 1 calc R
C2 C 1.1248(10) 1.0584(6) 0.1289(5) 0.034(2) Uani 1 1 d .
H2C H 1.1955 1.1214 0.1565 0.041 Uiso 1 1 calc R
H2D H 1.0577 1.0565 0.0827 0.041 Uiso 1 1 calc R
C12 C 0.5950(8) 0.6339(5) 0.3328(4) 0.0204(16) Uani 1 1 d .
H12C H 0.5553 0.6776 0.3166 0.025 Uiso 1 1 calc R
H12D H 0.7013 0.6325 0.3147 0.025 Uiso 1 1 calc R
C11 C 0.6031(8) 0.6662(5) 0.4264(4) 0.0215(16) Uani 1 1 d .
H11C H 0.6481 0.6245 0.4430 0.026 Uiso 1 1 calc R
H11D H 0.6716 0.7299 0.4544 0.026 Uiso 1 1 calc R
C10 C -0.0156(9) 0.6225(5) 0.3844(5) 0.0276(18) Uani 1 1 d .
H10C H -0.0685 0.6676 0.4239 0.033 Uiso 1 1 calc R
H10D H -0.0979 0.5697 0.3446 0.033 Uiso 1 1 calc R
C8 C 0.1473(9) 0.3217(5) 0.3020(5) 0.0259(18) Uani 1 1 d .
H8C H 0.2399 0.3017 0.2757 0.031 Uiso 1 1 calc R
H8D H 0.0570 0.2665 0.2832 0.031 Uiso 1 1 calc R
C6 C 0.6003(9) 0.9090(5) 0.1952(5) 0.0284(18) Uani 1 1 d .
H6C H 0.6255 0.9776 0.2167 0.034 Uiso 1 1 calc R
H6D H 0.5028 0.8886 0.2174 0.034 Uiso 1 1 calc R
C5 C 0.5752(9) 0.8664(5) 0.1014(4) 0.0240(17) Uani 1 1 d .
H5C H 0.5383 0.7979 0.0801 0.029 Uiso 1 1 calc R
H5D H 0.4937 0.8896 0.0827 0.029 Uiso 1 1 calc R
C4 C 1.1384(9) 0.7771(5) 0.1857(5) 0.0306(19) Uani 1 1 d .
H4C H 1.1945 0.7610 0.2246 0.037 Uiso 1 1 calc R
H4D H 1.2102 0.7841 0.1446 0.037 Uiso 1 1 calc R
C3 C 0.9930(10) 0.6999(6) 0.1413(5) 0.035(2) Uani 1 1 d .
H3C H 1.0234 0.6411 0.1092 0.042 Uiso 1 1 calc R
H3D H 0.9233 0.6905 0.1824 0.042 Uiso 1 1 calc R
C13 C 1.0298(9) 0.9783(6) 0.4574(5) 0.0295(19) Uani 1 1 d D
C9 C 0.0869(9) 0.6680(5) 0.3383(5) 0.0300(19) Uani 1 1 d .
H9C H 0.0213 0.6865 0.3052 0.036 Uiso 1 1 calc R
H9D H 0.1618 0.7248 0.3784 0.036 Uiso 1 1 calc R
C7 C 0.1810(8) 0.3619(5) 0.3943(4) 0.0224(17) Uani 1 1 d .
H7C H 0.0857 0.3772 0.4205 0.027 Uiso 1 1 calc R
H7D H 0.2106 0.3158 0.4111 0.027 Uiso 1 1 calc R
H13A H 1.021(10) 1.019(5) 0.429(5) 0.06(3) Uiso 1 1 d D
H13B H 1.144(3) 0.987(6) 0.469(5) 0.05(3) Uiso 1 1 d D
H13C H 0.838(3) 0.885(6) 0.403(5) 0.04(2) Uiso 1 1 d D
H13D H 0.962(12) 0.861(7) 0.442(5) 0.07(4) Uiso 1 1 d 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'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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 82.373(19) . .
In2 Te3 In1 81.31(2) . .
In1 Te1 In1 81.450(19) . 2_656
In4 Te8 In4 80.88(2) 2_665 .
In3 Te7 In4 81.23(2) . .
In3 Te6 In4 81.40(2) . .
In2 Te4 In3 80.296(18) . .
In2 Te2 In1 81.69(2) . .
Te2 In2 Te3 99.08(2) . .
Te2 In2 Te5 118.55(2) . .
Te3 In2 Te5 116.61(2) . .
Te2 In2 Te4 112.78(2) . .
Te3 In2 Te4 113.80(2) . .
Te5 In2 Te4 96.95(2) . .
Te1 In1 Te1 98.550(19) . 2_656
Te1 In1 Te2 114.58(2) . .
Te1 In1 Te2 115.67(2) 2_656 .
Te1 In1 Te3 117.68(2) . .
Te1 In1 Te3 113.80(2) 2_656 .
Te2 In1 Te3 97.68(2) . .
Te5 In3 Te6 117.91(2) . .
Te5 In3 Te7 115.37(2) . .
Te6 In3 Te7 99.09(2) . .
Te5 In3 Te4 96.49(2) . .
Te6 In3 Te4 115.51(2) . .
Te7 In3 Te4 113.53(2) . .
Te8 In4 Te6 116.69(2) 2_665 .
Te8 In4 Te7 113.89(2) 2_665 .
Te6 In4 Te7 97.95(2) . .
Te8 In4 Te8 99.12(2) 2_665 .
Te6 In4 Te8 121.50(2) . .
Te7 In4 Te8 108.18(2) . .
N12 Mn2 N10 157.1(2) . .
N12 Mn2 N8 105.3(2) . .
N10 Mn2 N8 94.2(2) . .
N12 Mn2 N7 100.0(2) . .
N10 Mn2 N7 96.1(2) . .
N8 Mn2 N7 76.3(2) . .
N12 Mn2 N9 89.5(2) . .
N10 Mn2 N9 77.1(2) . .
N8 Mn2 N9 93.8(2) . .
N7 Mn2 N9 167.7(2) . .
N12 Mn2 N11 76.1(2) . .
N10 Mn2 N11 87.1(2) . .
N8 Mn2 N11 168.8(2) . .
N7 Mn2 N11 92.5(2) . .
N9 Mn2 N11 97.3(2) . .
N6 Mn1 N3 97.6(2) . .
N6 Mn1 N5 76.6(2) . .
N3 Mn1 N5 101.3(2) . .
N6 Mn1 N4 92.3(2) . .
N3 Mn1 N4 77.5(2) . .
N5 Mn1 N4 168.6(2) . .
N6 Mn1 N2 99.3(2) . .
N3 Mn1 N2 161.7(2) . .
N5 Mn1 N2 89.2(2) . .
N4 Mn1 N2 95.1(2) . .
N6 Mn1 N1 172.6(2) . .
N3 Mn1 N1 87.5(2) . .
N5 Mn1 N1 97.2(2) . .
N4 Mn1 N1 94.1(2) . .
N2 Mn1 N1 76.3(2) . .
C2 N2 Mn1 109.9(4) . .
C2 N2 H2A 109.7 . .
Mn1 N2 H2A 109.7 . .
C2 N2 H2B 109.7 . .
Mn1 N2 H2B 109.7 . .
H2A N2 H2B 108.2 . .
C1 N1 Mn1 108.4(4) . .
C1 N1 H1A 110.0 . .
Mn1 N1 H1A 110.0 . .
C1 N1 H1B 110.0 . .
Mn1 N1 H1B 110.0 . .
H1A N1 H1B 108.4 . .
C5 N5 Mn1 109.9(4) . .
C5 N5 H5A 109.7 . .
Mn1 N5 H5A 109.7 . .
C5 N5 H5B 109.7 . .
Mn1 N5 H5B 109.7 . .
H5A N5 H5B 108.2 . .
C6 N6 Mn1 110.6(5) . .
C6 N6 H6A 109.5 . .
Mn1 N6 H6A 109.5 . .
C6 N6 H6B 109.5 . .
Mn1 N6 H6B 109.5 . .
H6A N6 H6B 108.1 . .
C4 N4 Mn1 106.6(4) . .
C4 N4 H4A 110.4 . .
Mn1 N4 H4A 110.4 . .
C4 N4 H4B 110.4 . .
Mn1 N4 H4B 110.4 . .
H4A N4 H4B 108.6 . .
C3 N3 Mn1 110.0(4) . .
C3 N3 H3A 109.7 . .
Mn1 N3 H3A 109.7 . .
C3 N3 H3B 109.7 . .
Mn1 N3 H3B 109.7 . .
H3A N3 H3B 108.2 . .
C12 N12 Mn2 110.4(4) . .
C12 N12 H12A 109.6 . .
Mn2 N12 H12A 109.6 . .
C12 N12 H12B 109.6 . .
Mn2 N12 H12B 109.6 . .
H12A N12 H12B 108.1 . .
C11 N11 Mn2 109.5(4) . .
C11 N11 H11A 109.8 . .
Mn2 N11 H11A 109.8 . .
C11 N11 H11B 109.8 . .
Mn2 N11 H11B 109.8 . .
H11A N11 H11B 108.2 . .
C9 N9 Mn2 107.8(5) . .
C9 N9 H9A 110.2 . .
Mn2 N9 H9A 110.2 . .
C9 N9 H9B 110.2 . .
Mn2 N9 H9B 110.2 . .
H9A N9 H9B 108.5 . .
C10 N10 Mn2 109.8(4) . .
C10 N10 H10A 109.7 . .
Mn2 N10 H10A 109.7 . .
C10 N10 H10B 109.7 . .
Mn2 N10 H10B 109.7 . .
H10A N10 H10B 108.2 . .
C8 N8 Mn2 110.2(4) . .
C8 N8 H8A 109.6 . .
Mn2 N8 H8A 109.6 . .
C8 N8 H8B 109.6 . .
Mn2 N8 H8B 109.6 . .
H8A N8 H8B 108.1 . .
C7 N7 Mn2 109.1(4) . .
C7 N7 H7A 109.9 . .
Mn2 N7 H7A 109.9 . .
C7 N7 H7B 109.9 . .
Mn2 N7 H7B 109.9 . .
H7A N7 H7B 108.3 . .
C13 N13 H13C 105(5) . .
C13 N13 H13D 92(6) . .
H13C N13 H13D 108(9) . .
N1 C1 C2 108.8(6) . .
N1 C1 H1C 109.9 . .
C2 C1 H1C 109.9 . .
N1 C1 H1D 109.9 . .
C2 C1 H1D 109.9 . .
H1C C1 H1D 108.3 . .
N2 C2 C1 110.0(6) . .
N2 C2 H2C 109.7 . .
C1 C2 H2C 109.7 . .
N2 C2 H2D 109.7 . .
C1 C2 H2D 109.7 . .
H2C C2 H2D 108.2 . .
N12 C12 C11 109.1(6) . .
N12 C12 H12C 109.9 . .
C11 C12 H12C 109.9 . .
N12 C12 H12D 109.9 . .
C11 C12 H12D 109.9 . .
H12C C12 H12D 108.3 . .
N11 C11 C12 108.6(6) . .
N11 C11 H11C 110.0 . .
C12 C11 H11C 110.0 . .
N11 C11 H11D 110.0 . .
C12 C11 H11D 110.0 . .
H11C C11 H11D 108.3 . .
N10 C10 C9 111.4(6) . .
N10 C10 H10C 109.3 . .
C9 C10 H10C 109.3 . .
N10 C10 H10D 109.3 . .
C9 C10 H10D 109.3 . .
H10C C10 H10D 108.0 . .
N8 C8 C7 109.8(6) . .
N8 C8 H8C 109.7 . .
C7 C8 H8C 109.7 . .
N8 C8 H8D 109.7 . .
C7 C8 H8D 109.7 . .
H8C C8 H8D 108.2 . .
N6 C6 C5 110.0(6) . .
N6 C6 H6C 109.7 . .
C5 C6 H6C 109.7 . .
N6 C6 H6D 109.7 . .
C5 C6 H6D 109.7 . .
H6C C6 H6D 108.2 . .
N5 C5 C6 109.6(6) . .
N5 C5 H5C 109.8 . .
C6 C5 H5C 109.8 . .
N5 C5 H5D 109.8 . .
C6 C5 H5D 109.8 . .
H5C C5 H5D 108.2 . .
N4 C4 C3 110.2(7) . .
N4 C4 H4C 109.6 . .
C3 C4 H4C 109.6 . .
N4 C4 H4D 109.6 . .
C3 C4 H4D 109.6 . .
H4C C4 H4D 108.1 . .
N3 C3 C4 109.0(6) . .
N3 C3 H3C 109.9 . .
C4 C3 H3C 109.9 . .
N3 C3 H3D 109.9 . .
C4 C3 H3D 109.9 . .
H3C C3 H3D 108.3 . .
N13 C13 C13 115.1(9) . 2_776
N13 C13 H13A 109(5) . .
C13 C13 H13A 106(5) 2_776 .
N13 C13 H13B 115(5) . .
C13 C13 H13B 105(5) 2_776 .
H13A C13 H13B 106(7) . .
N9 C9 C10 110.6(6) . .
N9 C9 H9C 109.5 . .
C10 C9 H9C 109.5 . .
N9 C9 H9D 109.5 . .
C10 C9 H9D 109.5 . .
H9C C9 H9D 108.1 . .
N7 C7 C8 109.7(5) . .
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 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Te5 In3 2.7694(8) .
Te5 In2 2.7859(8) .
Te3 In2 2.7755(7) .
Te3 In1 2.8096(7) .
Te1 In1 2.7826(8) .
Te1 In1 2.7881(8) 2_656
Te8 In4 2.7773(8) 2_665
Te8 In4 2.8090(8) .
Te7 In3 2.7795(7) .
Te7 In4 2.8051(7) .
Te6 In3 2.7765(7) .
Te6 In4 2.7987(8) .
Te4 In2 2.8187(8) .
Te4 In3 2.8550(8) .
Te2 In2 2.7696(7) .
Te2 In1 2.7943(7) .
In1 Te1 2.7881(8) 2_656
In4 Te8 2.7774(8) 2_665
Mn2 N12 2.240(6) .
Mn2 N10 2.274(6) .
Mn2 N8 2.275(6) .
Mn2 N7 2.277(6) .
Mn2 N9 2.288(6) .
Mn2 N11 2.302(6) .
Mn1 N6 2.254(6) .
Mn1 N3 2.277(6) .
Mn1 N5 2.279(6) .
Mn1 N4 2.281(6) .
Mn1 N2 2.284(6) .
Mn1 N1 2.313(6) .
N2 C2 1.471(10) .
N2 H2A 0.9200 .
N2 H2B 0.9200 .
N1 C1 1.454(10) .
N1 H1A 0.9200 .
N1 H1B 0.9200 .
N5 C5 1.469(9) .
N5 H5A 0.9200 .
N5 H5B 0.9200 .
N6 C6 1.469(9) .
N6 H6A 0.9200 .
N6 H6B 0.9200 .
N4 C4 1.474(10) .
N4 H4A 0.9200 .
N4 H4B 0.9200 .
N3 C3 1.489(10) .
N3 H3A 0.9200 .
N3 H3B 0.9200 .
N12 C12 1.455(8) .
N12 H12A 0.9200 .
N12 H12B 0.9200 .
N11 C11 1.466(9) .
N11 H11A 0.9200 .
N11 H11B 0.9200 .
N9 C9 1.465(9) .
N9 H9A 0.9200 .
N9 H9B 0.9200 .
N10 C10 1.463(9) .
N10 H10A 0.9200 .
N10 H10B 0.9200 .
N8 C8 1.477(9) .
N8 H8A 0.9200 .
N8 H8B 0.9200 .
N7 C7 1.468(9) .
N7 H7A 0.9200 .
N7 H7B 0.9200 .
N13 C13 1.472(11) .
N13 H13C 0.92(4) .
N13 H13D 0.92(10) .
C1 C2 1.523(11) .
C1 H1C 0.9900 .
C1 H1D 0.9900 .
C2 H2C 0.9900 .
C2 H2D 0.9900 .
C12 C11 1.516(10) .
C12 H12C 0.9900 .
C12 H12D 0.9900 .
C11 H11C 0.9900 .
C11 H11D 0.9900 .
C10 C9 1.491(11) .
C10 H10C 0.9900 .
C10 H10D 0.9900 .
C8 C7 1.491(10) .
C8 H8C 0.9900 .
C8 H8D 0.9900 .
C6 C5 1.509(10) .
C6 H6C 0.9900 .
C6 H6D 0.9900 .
C5 H5C 0.9900 .
C5 H5D 0.9900 .
C4 C3 1.513(10) .
C4 H4C 0.9900 .
C4 H4D 0.9900 .
C3 H3C 0.9900 .
C3 H3D 0.9900 .
C13 C13 1.536(16) 2_776
C13 H13A 0.99(9) .
C13 H13B 0.99(4) .
C9 H9C 0.9900 .
C9 H9D 0.9900 .
C7 H7C 0.9900 .
C7 H7D 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
In1 Te2 In2 Te3 -3.754(19) . .
In1 Te2 In2 Te5 123.36(3) . .
In1 Te2 In2 Te4 -124.44(2) . .
In1 Te3 In2 Te2 3.737(19) . .
In1 Te3 In2 Te5 -124.68(2) . .
In1 Te3 In2 Te4 123.67(2) . .
In3 Te5 In2 Te2 105.54(3) . .
In3 Te5 In2 Te3 -136.19(2) . .
In3 Te5 In2 Te4 -15.14(2) . .
In3 Te4 In2 Te2 -110.23(2) . .
In3 Te4 In2 Te3 137.92(2) . .
In3 Te4 In2 Te5 14.76(2) . .
In1 Te1 In1 Te1 0.0 2_656 2_656
In1 Te1 In1 Te2 -123.40(3) 2_656 .
In1 Te1 In1 Te3 122.66(3) 2_656 .
In2 Te2 In1 Te1 -121.55(2) . .
In2 Te2 In1 Te1 124.79(2) . 2_656
In2 Te2 In1 Te3 3.695(19) . .
In2 Te3 In1 Te1 119.31(2) . .
In2 Te3 In1 Te1 -126.18(2) . 2_656
In2 Te3 In1 Te2 -3.691(19) . .
In2 Te5 In3 Te6 138.34(2) . .
In2 Te5 In3 Te7 -104.97(2) . .
In2 Te5 In3 Te4 14.93(2) . .
In4 Te6 In3 Te5 129.53(2) . .
In4 Te6 In3 Te7 4.37(2) . .
In4 Te6 In3 Te4 -117.25(2) . .
In4 Te7 In3 Te5 -131.27(2) . .
In4 Te7 In3 Te6 -4.36(2) . .
In4 Te7 In3 Te4 118.68(2) . .
In2 Te4 In3 Te5 -14.84(2) . .
In2 Te4 In3 Te6 -140.02(2) . .
In2 Te4 In3 Te7 106.49(2) . .
In3 Te6 In4 Te8 -126.18(2) . 2_665
In3 Te6 In4 Te7 -4.32(2) . .
In3 Te6 In4 Te8 112.75(3) . .
In3 Te7 In4 Te8 128.22(2) . 2_665
In3 Te7 In4 Te6 4.31(2) . .
In3 Te7 In4 Te8 -122.64(2) . .
In4 Te8 In4 Te8 0.0 2_665 2_665
In4 Te8 In4 Te6 129.19(3) 2_665 .
In4 Te8 In4 Te7 -118.97(3) 2_665 .
N6 Mn1 N2 C2 -162.6(5) . .
N3 Mn1 N2 C2 39.4(10) . .
N5 Mn1 N2 C2 -86.3(5) . .
N4 Mn1 N2 C2 104.3(5) . .
N1 Mn1 N2 C2 11.3(5) . .
N3 Mn1 N1 C1 -152.3(5) . .
N5 Mn1 N1 C1 106.6(5) . .
N4 Mn1 N1 C1 -75.0(5) . .
N2 Mn1 N1 C1 19.2(5) . .
N6 Mn1 N5 C5 -14.9(4) . .
N3 Mn1 N5 C5 80.3(4) . .
N4 Mn1 N5 C5 -2.7(13) . .
N2 Mn1 N5 C5 -114.7(4) . .
N1 Mn1 N5 C5 169.3(4) . .
N3 Mn1 N6 C6 -113.8(5) . .
N5 Mn1 N6 C6 -13.9(5) . .
N4 Mn1 N6 C6 168.5(5) . .
N2 Mn1 N6 C6 73.0(5) . .
N6 Mn1 N4 C4 118.7(5) . .
N3 Mn1 N4 C4 21.4(5) . .
N5 Mn1 N4 C4 106.8(11) . .
N2 Mn1 N4 C4 -141.7(5) . .
N1 Mn1 N4 C4 -65.2(5) . .
N6 Mn1 N3 C3 -82.5(5) . .
N5 Mn1 N3 C3 -160.3(5) . .
N4 Mn1 N3 C3 8.2(5) . .
N2 Mn1 N3 C3 75.6(9) . .
N1 Mn1 N3 C3 102.9(5) . .
N10 Mn2 N12 C12 26.3(8) . .
N8 Mn2 N12 C12 173.7(4) . .
N7 Mn2 N12 C12 -107.8(4) . .
N9 Mn2 N12 C12 80.0(5) . .
N11 Mn2 N12 C12 -17.7(4) . .
N12 Mn2 N11 C11 -12.9(4) . .
N10 Mn2 N11 C11 -177.2(5) . .
N8 Mn2 N11 C11 85.9(12) . .
N7 Mn2 N11 C11 86.8(5) . .
N9 Mn2 N11 C11 -100.6(5) . .
N12 Mn2 N9 C9 -142.7(5) . .
N10 Mn2 N9 C9 18.6(4) . .
N8 Mn2 N9 C9 112.0(5) . .
N7 Mn2 N9 C9 76.3(11) . .
N11 Mn2 N9 C9 -66.7(5) . .
N12 Mn2 N10 C10 65.0(8) . .
N8 Mn2 N10 C10 -83.6(5) . .
N7 Mn2 N10 C10 -160.3(5) . .
N9 Mn2 N10 C10 9.3(4) . .
N11 Mn2 N10 C10 107.5(5) . .
N12 Mn2 N8 C8 85.3(5) . .
N10 Mn2 N8 C8 -106.8(5) . .
N7 Mn2 N8 C8 -11.5(5) . .
N9 Mn2 N8 C8 175.8(5) . .
N11 Mn2 N8 C8 -10.6(14) . .
N12 Mn2 N7 C7 -121.1(4) . .
N10 Mn2 N7 C7 75.3(4) . .
N8 Mn2 N7 C7 -17.6(4) . .
N9 Mn2 N7 C7 19.3(13) . .
N11 Mn2 N7 C7 162.6(4) . .
Mn1 N1 C1 C2 -46.1(7) . .
Mn1 N2 C2 C1 -39.5(7) . .
N1 C1 C2 N2 58.8(8) . .
Mn2 N12 C12 C11 45.4(6) . .
Mn2 N11 C11 C12 40.4(6) . .
N12 C12 C11 N11 -57.9(7) . .
Mn2 N10 C10 C9 -36.2(7) . .
Mn2 N8 C8 C7 39.1(7) . .
Mn1 N6 C6 C5 40.3(7) . .
Mn1 N5 C5 C6 40.9(7) . .
N6 C6 C5 N5 -54.9(8) . .
Mn1 N4 C4 C3 -48.8(7) . .
Mn1 N3 C3 C4 -36.1(7) . .
N4 C4 C3 N3 58.4(9) . .
Mn2 N9 C9 C10 -44.2(7) . .
N10 C10 C9 N9 55.6(8) . .
Mn2 N7 C7 C8 44.6(7) . .
N8 C8 C7 N7 -56.7(8) . .
