Synthesis and Characterization of Paramagnetic Tungsten Imido Complexes Bearing α-Diimine Ligands.
Tanahashi, Hiromasa; Ikeda, Hideaki; Tsurugi, Hayato; Mashima, Kazushi; Inorganic chemistry 55 (2016) 1446–1452; doi:10.1021/acs.inorgchem.5b02145

data_4346795
_publ_section_title
;
 Synthesis and Characterization of Paramagnetic Tungsten Imido Complexes
 Bearing \a-Diimine Ligands.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1446
_journal_page_last               1452
_journal_paper_doi               10.1021/acs.inorgchem.5b02145
_journal_volume                  55
_journal_year                    2016
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_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                90.0000
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_cell_length_a                   9.1419(37)
_cell_length_b                   19.2878(78)
_cell_length_c                   22.9034(94)
_cell_measurement_reflns_used    9726
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_cell_measurement_theta_min      3.09
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_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_limit_k_min       -25
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         3.094
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_exptl_absorpt_correction_T_min  0.377
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_exptl_crystal_colour            red
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_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0481P)^2^+28.7707P] where P=(Fo^2^+2Fc^2^)/3'
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