Reactions of Acetonitrile Coordinated to a Nitrosylruthenium Complex with H2O or CH3OH under Mild Conditions: Structural Characterization of Imido-Type Complexes
Hirotaka Nagao; Toshiyuki Hirano; Naotoshi Tsuboya; Soni Shiota; Masao Mukaida; Takao Oi; Mikio Yamasaki; Inorganic Chemistry 41 (2002) 6267–6273; doi:10.1021/ic011241q

data_4318882
_publ_contact_author_address
;
Department of Chemistry, Faculty of Science and Technology, Sophia University,
Kioi-cho 7-1, Chiyoda-ku, Tokyo 102-8554, Japan
;
_publ_contact_author_email       ' h-nagai@sophia.ac.jp '
_publ_contact_author_fax         ' 81-3-3238-3361 '
_publ_contact_author_name        ' Hirotaka Nagao '
_publ_contact_author_phone       ' 81-3-3238-3448 '
_publ_section_title
;
 Reactions of Acetonitrile Coordinated to a Nitrosylruthenium Complex with
 H2O or CH3OH under Mild Conditions: Structural Characterization of
 Imido-Type Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6267
_journal_page_last               6273
_journal_paper_doi               10.1021/ic011241q
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C44 H41 F30 N12 O4 P5 Ru2'
_chemical_formula_weight         1728.84
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.9659(5)
_cell_length_b                   31.839(1)
_cell_length_c                   11.7065(4)
_cell_measurement_reflns_used    17743
_cell_measurement_temperature    133.2
_cell_measurement_theta_max      17.2
_cell_measurement_theta_min      2.2
_cell_volume                     5950.9(3)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9959
_diffrn_measured_fraction_theta_max 0.9959
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13522
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_correction_T_min  0.822
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.930
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.21
_refine_diff_density_min         -1.39
_refine_ls_goodness_of_fit_ref   0.846
_refine_ls_number_parameters     499
_refine_ls_number_reflns         6796
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.0012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.01000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0579
_reflns_number_gt                3298
_reflns_number_total             6804
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic011241q_3.cif
_cod_data_source_block           '[Ru(NO)(NHCOH0.5CH3)(bpy)2](PF6)2.5'
_cod_original_cell_volume        5950.8(4)
_cod_original_formula_sum        'C22 H20.50 F15 N6 O2 P2.50 Ru '
_cod_database_code               4318882