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_4322007
_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            'C24.5 H34 Cl4 N2 O5 P2 W'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             'Mon Aug 17 14:30:25 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 96.012(7)
_cell_angle_gamma                90
_cell_formula_units_Z            8.00
_cell_length_a                   20.266(2)
_cell_length_b                   10.502(1)
_cell_length_c                   30.363(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      33.46
_cell_measurement_theta_min      28.93
_cell_volume                     6426.7(10)
_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      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.00680
_diffrn_orient_matrix_UB_12      0.00581
_diffrn_orient_matrix_UB_13      -0.03209
_diffrn_orient_matrix_UB_21      0.04915
_diffrn_orient_matrix_UB_22      -0.00169
_diffrn_orient_matrix_UB_23      0.00792
_diffrn_orient_matrix_UB_31      -0.00046
_diffrn_orient_matrix_UB_32      -0.09502
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            8001
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_diffrn_standards_decay_%        -0.40
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 40.660
_exptl_absorpt_correction_T_max  1.000
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_refine_ls_R_factor_obs          0.0440
_refine_ls_shift/esd_max         0.3500
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0270
_cod_data_source_file            ic981116n_4.cif
_cod_data_source_block
'[WCl2(NNC5H4OMe-4)(C2H4)(PMe2Ph)2][ClO4].0.5CH2Cl2'
_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        6426.9(10)
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_database_code               4322007