{[SmCl(en)~4~][In~2~Te~4~]}~<i>n~</i>: an indium telluride with a one-dimensional sinusoidal chain
Li, Chun-Ying; Zhou, Jian; Zhang, Yong; Bian, Guo-Qing; Dai, Jie; Acta Crystallographica Section C 65 (2009) m100–m102; doi:10.1107/S010827010803521X

data_2016948
_publ_section_title
;
 {[SmCl(en)~4~][In~2~Te~4~]}~<i>n~</i>: an indium telluride with a
 one-dimensional sinusoidal chain
;
_journal_coeditor_code           EM3020
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m100
_journal_page_last               m102
_journal_paper_doi               10.1107/S010827010803521X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Sm Cl (C2 H8 N2)4] [In2 Te4]'
_chemical_formula_moiety         'C8 H32 Cl N8 Sm 2+ , In2 Te4 2-'
_chemical_formula_sum            'C8 H32 Cl In2 N8 Sm Te4'
_chemical_formula_weight         1166.26
_chemical_name_systematic
;
catena-poly[chloridotris(ethylenediamine-\k^2^N,N')samarium(III)
[indium(III)-di-\m-tellurido-indium(III)-di-\m-tellurido]]
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.7359(11)
_cell_length_b                   18.5660(16)
_cell_length_c                   21.1782(18)
_cell_measurement_reflns_used    15461
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      3.16
_cell_volume                     5400.9(8)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2001)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2001)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Mercury CCD area-detector'
_diffrn_measurement_method       \w
_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  0.0769
_diffrn_reflns_av_sigmaI/netI    0.0396
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            49875
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    8.183
_exptl_absorpt_correction_T_max  0.443
_exptl_absorpt_correction_T_min  0.068
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.869
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4168
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.784
_refine_diff_density_min         -1.900
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.293
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         4938
_refine_ls_number_restraints     37
_refine_ls_restrained_S_all      1.291
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0566
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0187P)^2^+70.31P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1014
_reflns_number_gt                4478
_reflns_number_total             4938
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            em3020.cif
_cod_data_source_block           I
_cod_database_code               2016948
_cod_database_fobs_code          2016948