Synthesis, Structures, and Properties of Group 9- and Group 10-Group 6 Heterodinuclear Nitrosyl Complexes
Kazuya Arashiba; Hidetaka Iizuka; Shoji Matsukawa; Shigeki Kuwata; Yoshiaki Tanabe; Masakazu Iwasaki; Youichi Ishii; Inorganic Chemistry 47 (2008) 4264–4274; doi:10.1021/ic702309h

data_4304733
_publ_contact_author_email       ishii@chem.chuo-u.ac.jp
_publ_contact_author_fax         +81-3-3817-1895
_publ_contact_author_name        'Prof. Youichi Ishii'
_publ_contact_author_phone       +81-3-3817-1901
_publ_section_title
;
Synthesis, Structures, and Properties of Group 9- and Group 10-Group 6
Heterodinuclear Nitrosyl Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4264
_journal_page_last               4274
_journal_paper_doi               10.1021/ic702309h
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C47 H59 B O P Rh S2 W '
_chemical_formula_sum            'C47 H59 B O P Rh S2 W'
_chemical_formula_weight         1032.64
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.311(8)
_cell_angle_beta                 94.657(8)
_cell_angle_gamma                73.725(8)
_cell_formula_units_Z            2
_cell_length_a                   12.2357(12)
_cell_length_b                   17.377(2)
_cell_length_c                   11.6691(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.7
_cell_volume                     2317.3(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11100
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        -0.42
_diffrn_standards_interval_count 0
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.995
_exptl_absorpt_correction_T_max  0.407
_exptl_absorpt_correction_T_min  0.315
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1040.00
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.61
_refine_diff_density_min         -1.33
_refine_ls_extinction_coef       16(2)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     547
_refine_ls_number_reflns         8546
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0001Fo^2^ + 1.8000\s(Fo^2^) + 0.3000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0319
_reflns_number_gt                8546
_reflns_number_total             10603
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic702309h-file002_1.cif
_cod_data_source_block           '_[Cp*Rh(PMe3)(mu-S)2W(O)Cp*][BPh4]'
_cod_original_formula_sum        'C47 H59 B O P Rh S2 W '
_cod_database_code               4304733