Synthesis and Structures of Tungsten (1-Pyridinio)imido Complexes and Their Facile N-N Bond Cleavage1
Hiroshige Ishino; Shin'ichi Tokunaga; Hidetake Seino; Youichi Ishii; Masanobu Hidai; Inorganic Chemistry 38 (1999) 2489–2496; doi:10.1021/ic981116n

data_4322005
_publ_contact_author
;
    Masanobu Hidai
 Department of Chemistry and Biotechnology, Graduate School of Engineering,
The University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
;
_publ_contact_author_fax         ' +81-3-5800-6945 '
_publ_contact_author_phone       ' +81-3-5800-6945 ext 7261 '
_publ_section_title
;
 Synthesis and Structures of Tungsten (1-Pyridinio)imido Complexes and
 Their Facile N-N Bond Cleavage1
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2489
_journal_page_last               2496
_journal_paper_doi               10.1021/ic981116n
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C30 H40 Br2 F6 N2 O P4 W'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Mon Aug 17 10:23:29 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 108.66(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   9.593(1)
_cell_length_b                   30.315(4)
_cell_length_c                   13.708(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      34.66
_cell_measurement_theta_min      26.13
_cell_volume                     3776.9(9)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      23.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.04041
_diffrn_orient_matrix_UB_12      0.00698
_diffrn_orient_matrix_UB_13      0.07512
_diffrn_orient_matrix_UB_21      0.04252
_diffrn_orient_matrix_UB_22      0.02807
_diffrn_orient_matrix_UB_23      -0.01642
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_diffrn_orient_matrix_UB_32      0.01586
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_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoKalpha
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_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       26
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_diffrn_reflns_number            9364
_diffrn_reflns_theta_max         27.5008
_diffrn_standards_decay_%        -0.67
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 54.100
_exptl_absorpt_correction_T_max  1.000
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_refine_ls_number_reflns         4789
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0440
_refine_ls_shift/esd_max         4.2870
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0350
_cod_data_source_file            ic981116n_1.cif
_cod_data_source_block           '[WBr2(NNC5H4OMe-4)(PMe2Ph)3][PF6]'
_cod_depositor_comments
;
 Changing the values of the _geom_angle_atom_site_label_1,
 _geom_angle_atom_site_label_2, _geom_angle_atom_site_label_3,
 _geom_bond_atom_site_label_1 and _geom_bond_atom_site_label_2
 data items to match the _atom_site_label data item values.

 Antanas Vaitkus,
 2017-01-29
;
_cod_original_cell_volume        3777.0(9)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_database_code               4322005