Bis(acetylacetonato)tricarbonyl Tungsten(II): A Convenient Precursor to Chiral Bis(acac) Tungsten(II) Complexes
Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.; Inorganic Chemistry 45 (2006) 6205–6213; doi:10.1021/ic0600329

data_4332153
_publ_section_title
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 Bis(acetylacetonato)tricarbonyl Tungsten(II):&#x00A0; A Convenient
 Precursor to Chiral Bis(acac) Tungsten(II) Complexes
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_journal_issue                   16
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6205
_journal_page_last               6213
_journal_paper_doi               10.1021/ic0600329
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C38 H34 O4 W'
_chemical_formula_weight         738.50
_chemical_name_systematic
;

 ?

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_space_group_IT_number           2
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                91.6310(10)
_cell_formula_units_Z            2
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_cell_measurement_reflns_used    9091
_cell_measurement_temperature    373(2)
_cell_measurement_theta_max      30.28
_cell_measurement_theta_min      2.25
_cell_volume                     1579.96(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      373(2)
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_min       -13
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_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            44074
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
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_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             736
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_refine_ls_number_reflns         9174
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0153P)^2^+0.9946P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0341
_refine_ls_wR_factor_ref         0.0343
_reflns_number_gt                8910
_reflns_number_total             9174
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0600329sup4.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4332153