Synthesis and Crystal Structure of a Unique and Homochiral N,S-Bonded N,N'-Bis(tert-butanesulfinyl)amidinate Rhodium(I) Complex
Andrew J. Souers; Timothy D. Owens; Allen G. Oliver; Frederick J. Hollander; Jonathan A. Ellman; Inorganic Chemistry 40 (2001) 5299–5301; doi:10.1021/ic0104205

data_4320315
_publ_contact_author_address
;
   907 Latimer Hall, College of Chemistry, UC Berkeley, 94720
;
_publ_contact_author_email       ' souers@uclink4.berkeley.edu '
_publ_contact_author_name        ' Andrew James Souers'
_publ_contact_author_phone       ' 510-643-8936 '
_publ_section_title
;
 Synthesis and Crystal Structure of a Unique and Homochiral N,S-Bonded
 N,N'-Bis(tert-butanesulfinyl)amidinate Rhodium(I) Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5299
_journal_page_last               5301
_journal_paper_doi               10.1021/ic0104205
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C18 H33 N2 O2 S2 Rh '
_chemical_formula_sum            'C18 H33 N2 O2 Rh S2'
_chemical_formula_weight         476.50
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             'Tue Apr  3 14:57:31 2001'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7213(1)
_cell_length_b                   10.9246(2)
_cell_length_c                   19.3747(4)
_cell_measurement_reflns_used    4578
_cell_measurement_temperature    174.2
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      1.8
_cell_volume                     2057.62(6)
_computing_cell_refinement       'Bruker SAINT v5.04'
_computing_data_collection       'Bruker SMART v5.0'
_computing_data_reduction        'Bruker SAINT v5.04'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.6858
_diffrn_measured_fraction_theta_max 1.6858
_diffrn_measurement_device_type  'SMART CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            3407
_diffrn_reflns_theta_full        24.66
_diffrn_reflns_theta_max         24.66
_exptl_absorpt_coefficient_mu    1.045
_exptl_absorpt_correction_T_max  0.810
_exptl_absorpt_correction_T_min  0.740
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Bruker, 1995'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prsim
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.20
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.782
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2798
_refine_ls_R_factor_gt           0.0195
_refine_ls_shift/su_max          0.0005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0212
_reflns_number_gt                2798
_reflns_number_total             3385
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic0104205.cif
_cod_data_source_block           Andy_Souers'_Rh_COD_complex
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C18 H33 N2 O2 S2 Rh '
_cod_database_code               4320315