Chromium(II) and Chromium(III) Complexes Supported by Tris(2-pyridylmethyl)amine: Synthesis, Structures, and Reactivity
Nicholas J. Robertson; Michael J. Carney; Jason A. Halfen; Inorganic Chemistry 42 (2003) 6876–6885; doi:10.1021/ic034530i

data_4312329
_publ_section_title
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 Chromium(II) and Chromium(III) Complexes Supported by
 Tris(2-pyridylmethyl)amine: Synthesis, Structures, and Reactivity
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6876
_journal_page_last               6885
_journal_paper_doi               10.1021/ic034530i
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C12 H28 N4 O20 Ti2'
_chemical_formula_weight         644.16
_chemical_name_systematic
;
  ?
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_cell_length_b                   10.226(4)
_cell_length_c                   11.478(6)
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'Program LEAST (UCLA Cryst.package C.E.Strouse 1994)'
_computing_data_collection
'Program COLLECT (UCLA Cryst.package C.E.Strouse 1994)'
_computing_data_reduction
'Program REDUCE (UCLA Cryst.package C.E.Strouse 1994)'
_computing_molecular_graphics    ORTEP
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_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'Crystal Logic Dual Goniometer'
_diffrn_measurement_method       'theta-2theta scans'
_diffrn_radiation_monochromator  graphite
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_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0145P)^2^+0.8656P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0806
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_cod_data_source_file            ic034530i.cif
_cod_data_source_block           shel93
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0145P)^2^+0.8656P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0145P)^2^+0.8656P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1156.6(9)
_cod_database_code               4312329