Synthesis and Structure of Protic Amine Tethered Rhodium(III) Peralkylcyclopentadienyl Complexes
Ito, Masato; Tejima, Noriko; Yamamura, Masahiro; Endo, Yoshinori; Ikariya, Takao; Organometallics 29 (2010) 1886–; doi:10.1021/om100151m

data_4065822
_publ_section_title
;
 Synthesis and Structure of Protic Amine Tethered Rhodium(III)
 Peralkylcyclopentadienyl Complexes
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1886
_journal_paper_doi               10.1021/om100151m
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C39 H46 Cl2 F12 N6 O8 Rh2 S4 '
_chemical_formula_sum            'C19.5 H23 Cl F6 N3 O4 Rh S2'
_chemical_formula_weight         679.88
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 104.503(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   16.135(5)
_cell_length_b                   17.906(6)
_cell_length_c                   17.808(6)
_cell_measurement_reflns_used    10583
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     4981(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      193
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.994
_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  0.061
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            52405
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.037
_exptl_absorpt_correction_T_max  0.813
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2728.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.71
_refine_diff_density_min         -1.33
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     704
_refine_ls_number_reflns         11346
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0008Fo^2^ + 0.2665\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1199
_reflns_number_gt                5945
_reflns_number_total             11346
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100151m_si_002.cif
_cod_data_source_block           '__18a'
_cod_original_formula_sum        'C39 H46 Cl2 F12 N6 O8 Rh2 S4 '
_cod_database_code               4065822