The nature of aryloxide and arylsulfide ligand bonding in dimethyltitanium complexes containing cyclopentadienyl ligation.
Manz, Thomas A.; Fenwick, Andrew E.; Phomphrai, Khamphee; Rothwell, Ian P.; Thomson, Kendall T.; Dalton transactions (Cambridge, England : 2003)  (2005) 668–674; doi:10.1039/b412455c

data_7007919
_publ_section_title
;
 The nature of aryloxide and arylsulfide ligand bonding in
 dimethyltitanium complexes containing cyclopentadienyl ligation.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              668
_journal_page_last               674
_journal_paper_doi               10.1039/b412455c
_journal_year                    2005
_chemical_formula_moiety         'C16 H22 S1 Ti1'
_chemical_formula_sum            'C16 H22 S Ti'
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_atom_type_scat_source
'International Tables for Crystallography (Vol C)'
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_audit_update_record
;
?
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_computing_molecular_graphics
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ORTEP (Johnson, 1976)
PLATON (Spek, 1997)
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_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
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_diffrn_reflns_limit_l_min       -18
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'1/[\s^2^(Fo^2^)+(0.0732P)^2^+0.2936P] where P=(Fo^2^+2Fc^2^)/3  '
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.123
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_reflns_number_gt                3177
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_reflns_threshold_expression     >2.0\s(I)
_cod_data_source_file            b412455c.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_refine_ls_weighting_scheme' value 'calc ' changed to 'calc' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
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_cod_original_formula_sum        'C16 H22 S1 Ti1'
_cod_database_code               7007919