Coordination Chemistry of Silanedithiolato Ligands Derived from Cyclotrisilathiane: Synthesis and Structures of Complexes of Iron(II), Cobalt(II), Palladium(II), Copper(I), and Silver(I)
Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi; Inorganic Chemistry 42 (2003) 5340–5347; doi:10.1021/ic0343253

data_4314087
_publ_section_title
;
 Coordination Chemistry of Silanedithiolato Ligands Derived from
 Cyclotrisilathiane: Synthesis and Structures of Complexes of Iron(II),
 Cobalt(II), Palladium(II), Copper(I), and Silver(I)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5340
_journal_page_last               5347
_journal_paper_doi               10.1021/ic0343253
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C11 H27 Fe N3 S2 Si '
_chemical_formula_sum            'C11 H27 Fe N3 S2 Si'
_chemical_formula_weight         349.41
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.94(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.325(6)
_cell_length_b                   12.84(1)
_cell_length_c                   18.42(2)
_cell_measurement_reflns_used    5821
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      13.7
_cell_measurement_theta_min      1.5
_cell_volume                     1732(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.10'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9693
_diffrn_measured_fraction_theta_max 0.9707
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.072
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13700
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.778
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.65
_refine_diff_density_min         -0.81
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     190
_refine_ls_number_reflns         3875
_refine_ls_R_factor_gt           0.0650
_refine_ls_shift/su_max          0.0100
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0020Fo^2^ + 1.0000\s^2^(Fo) + 0.0000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1990
_reflns_number_gt                2615
_reflns_number_total             3875
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0343253si20030617_084419_2.cif
_cod_data_source_block           Fe(S2SiMe2)(Metacn)
_cod_original_cell_volume        1731(2)
_cod_original_formula_sum        'C11 H27 Fe N3 S2 Si '
_cod_database_code               4314087