Two Novel Thioindate-Thioantimonate Compounds [Ni(dien)2]2In2Sb4S11 and [Ni(dien)2]3(In3Sb2S9)2.2H2O with Transition Metal Complexes
Jian Zhou; Xian-Hong Yin; Feng Zhang; Inorganic Chemistry 49 (2010) 9671–9676; doi:10.1021/ic101382u

data_4316842
_publ_section_title
;
 Two Novel Thioindate-Thioantimonate Compounds [Ni(dien)2]2In2Sb4S11 and
 [Ni(dien)2]3(In3Sb2S9)2.2H2O with Transition Metal Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9671
_journal_page_last               9676
_journal_paper_doi               10.1021/ic101382u
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         '2(In3 S9 Sb2), 3(C8 H26 N6 Ni), 2(H2 O) '
_chemical_formula_sum            'C24 H82 In6 N18 Ni3 O2 S18 Sb4'
_chemical_formula_weight         2584.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.508(5)
_cell_length_b                   13.194(3)
_cell_length_c                   21.653(4)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.10
_cell_measurement_theta_min      1.98
_cell_volume                     7287(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku Mercury'
_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  0.0863
_diffrn_reflns_av_sigmaI/netI    0.0677
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            32846
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    4.626
_exptl_absorpt_correction_T_max  0.7084
_exptl_absorpt_correction_T_min  0.5844
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            'light red'
_exptl_crystal_density_diffrn    2.352
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4936
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.392
_refine_diff_density_min         -1.587
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         6470
_refine_ls_number_restraints     633
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0611
_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/[\s^2^(Fo^2^)+(0.0572P)^2^+99.2725P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1386
_refine_ls_wR_factor_ref         0.1541
_reflns_number_gt                4475
_reflns_number_total             6470
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101382u_si_003.cif
_cod_data_source_block           x
_cod_original_sg_symbol_Hall     '-P 2n 2ab '
_cod_original_formula_sum        'C24 H82 In6 N18 Ni3 O2 S18 Sb4 '
_cod_database_code               4316842