Indium Tris(alkylthiolate) Compounds
Seigi Suh; David M. Hoffman; Inorganic Chemistry 37 (1998) 5823–5826; doi:10.1021/ic980671m

data_4323135
_publ_section_title
;
 Indium Tris(alkylthiolate) Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5823
_journal_page_last               5826
_journal_paper_doi               10.1021/ic980671m
_journal_volume                  37
_journal_year                    1998
_chemical_formula_moiety         'C23 H41 N4 S3 In, C H2 Cl2'
_chemical_formula_sum            'C24 H43 Cl2 In N4 S3'
_chemical_formula_weight         669.52
_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                79.54(1)
_cell_angle_beta                 75.88(1)
_cell_angle_gamma                66.08(1)
_cell_formula_units_Z            2
_cell_length_a                   10.620(1)
_cell_length_b                   11.568(1)
_cell_length_c                   14.892(2)
_cell_measurement_reflns_used    28
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      12.25
_cell_measurement_theta_min      7.2
_cell_volume                     1614.8(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker XSCANS'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       '2\q/\w scans'
_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  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0387
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4465
_diffrn_reflns_theta_full        22.53
_diffrn_reflns_theta_max         22.53
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        10.0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.110
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Square column'
_exptl_crystal_F_000             692
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.745
_refine_diff_density_min         -0.659
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4201
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0270
_refine_ls_shift/su_max          0.459
_refine_ls_shift/su_mean         0.017
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0200P)^2^+1.6000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0701
_refine_ls_wR_factor_ref         0.0730
_reflns_number_gt                3517
_reflns_number_total             4201
_reflns_threshold_expression     >4sigma(I)
_cod_data_source_file            ic980671m_2.cif
_cod_data_source_block           k392
_cod_database_code               4323135