Adducts of Acetylene and Dimethylacetylenedicarboxylate at Sulfurs in Sulfur-Bridged Incomplete Cubane-Type Tungsten Clusters
Yasuhiro Ide; Makoto Sasaki; Masataka Maeyama; Takashi Shibahara; Inorganic Chemistry 43 (2004) 602–612; doi:10.1021/ic0349860

data_4310437
_publ_contact_author_address
;
    Department of Chemistry
    Okayama University of Science
    Ridai-cho, Okayama 700-0005
    Japan
;
_publ_contact_author_email       shiba@chem.ous.ac.jp
_publ_contact_author_fax         +81-86-256-9443
_publ_contact_author_name        'Takashi Shibahara'
_publ_contact_author_phone       +81-86-256-9443
_publ_section_title
;
 Adducts of Acetylene and Dimethylacetylenedicarboxylate at Sulfurs in
 Sulfur-Bridged Incomplete Cubane-Type Tungsten Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              602
_journal_page_last               612
_journal_paper_doi               10.1021/ic0349860
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C39.65 H36.65 N14.33 O0.50 S13 W3 '
_chemical_formula_sum            'C39.65 H36.65 N14.33 O0.5 S13 W3'
_chemical_formula_weight         1690.22
_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             'Tue Aug  5 15:21:23 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 105.3243(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   15.2587(7)
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_cell_measurement_temperature    293.2
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_cell_measurement_theta_min      3.0
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_computing_molecular_graphics    ORTEPII
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_diffrn_measured_fraction_theta_full 0.9931
_diffrn_measured_fraction_theta_max 0.9931
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
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_exptl_absorpt_correction_T_max  0.457
_exptl_absorpt_correction_T_min  0.300
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   Coppens_numerical
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.990
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
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_exptl_crystal_size_mid          0.180
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'w = 1/[\s^2^(Fo^2^) + (0.05700(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0984
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           '_6'''
_cod_original_formula_sum        'C39.65 H36.65 N14.33 O0.50 S13 W3 '
_cod_database_code               4310437