Synthesis and Reactions of Mono- and Dinuclear Ni(I) Thiolate Complexes
Mikinao Ito; Tsuyoshi Matsumoto; Kazuyuki Tatsumi; Inorganic Chemistry 48 (2009) 2215–2223; doi:10.1021/ic802276w

data_4301634
_publ_section_title
;
Synthesis and Reactions of Mono- and Dinuclear Ni(I) Thiolate Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2215
_journal_page_last               2223
_journal_paper_doi               10.1021/ic802276w
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C31 H37 N2 Ni S '
_chemical_formula_sum            'C31 H37 N2 Ni S'
_chemical_formula_weight         528.41
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 110.628(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   16.047(5)
_cell_length_b                   23.127(6)
_cell_length_c                   16.194(5)
_cell_measurement_reflns_used    1554
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      3.1
_cell_volume                     5625(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.120
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22875
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.785
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2248.00
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.26
_refine_diff_density_min         -0.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     319
_refine_ls_number_reflns         6445
_refine_ls_R_factor_gt           0.0819
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0913P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2350
_reflns_number_gt                3055
_reflns_number_total             6445
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic802276w_si_002_06.cif
_cod_data_source_block           complex5
_cod_original_cell_volume        5624(3)
_cod_original_formula_sum        'C31 H37 N2 Ni S '
_cod_database_code               4301634