Cleavage of Hydrazine N-N Bonds by RuMo3S4 Cubane-Type Clusters
Izuru Takei; Keita Dohki; Koji Kobayashi; Toshiaki Suzuki; Masanobu Hidai; Inorganic Chemistry 44 (2005) 3768–3770; doi:10.1021/ic0500560

data_4308907
_publ_contact_author_address
;
Department of Materials Science and Technology, 
Faculty of Industrial Science and Technology, 
Tokyo University of Science, 2641 Yamazaki, 
Noda-shi, Chiba 278-8510, Japan
;
_publ_contact_author_email       ' hidai@rs.noda.tus.ac.jp '
_publ_contact_author_fax         ' +81-4-7123-9362 '
_publ_contact_author_name        ' Masanobu Hidai'
_publ_contact_author_phone       ' +71-4-7124-1501 '
_publ_section_title
;
Cleavage of Hydrazine N-N Bonds by RuMo3S4 Cubane-Type Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3768
_journal_page_last               3770
_journal_paper_doi               10.1021/ic0500560
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C60 H97 F9 Mo6 N3 P2 Ru2 S8'
_chemical_formula_weight         2127.61
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           50
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2b'
_symmetry_space_group_name_H-M   'P b a n :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   29.4581(9)
_cell_length_b                   29.3083(11)
_cell_length_c                   19.9652(7)
_cell_measurement_temperature    293(2)
_cell_volume                     17237.3(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.630
_diffrn_measured_fraction_theta_max 0.630
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            49574
_diffrn_reflns_theta_full        21.50
_diffrn_reflns_theta_max         21.50
_diffrn_reflns_theta_min         3.51
_exptl_absorpt_coefficient_mu    2.202
_exptl_absorpt_correction_T_max  0.6672
_exptl_absorpt_correction_T_min  0.4374
_exptl_crystal_density_diffrn    2.460
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             12684
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.381
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     808
_refine_ls_number_reflns         6257
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0667
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1178P)^2^+167.0157P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1863
_refine_ls_wR_factor_ref         0.1890
_reflns_number_gt                5677
_reflns_number_total             6257
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0500560si20050114_044525_1.cif
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      'P b a n'
_cod_database_code               4308907