Group 13 and Lanthanide Complexes with Mixed O,S Anionic Ligands Derived from Maltol
Monga, Vishakha; Patrick, Brian O.; Orvig, Chris; Inorganic Chemistry 44 (2005) 2666–2677; doi:10.1021/ic048693y

data_4300937
_publ_section_title
;
 Group 13 and Lanthanide Complexes with Mixed O,S Anionic Ligands Derived
 from Maltol
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2666
_journal_page_last               2677
_journal_paper_doi               10.1021/ic048693y
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C6 H6 O2 S '
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_computing_cell_refinement       'd*TREK (MSC, 1996-1998)'
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_computing_data_reduction        'd*TREK (MSC, 1996-1998)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
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_computing_structure_solution
;

SIR97 (Altomare, et. al. 1998)

;
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_diffrn_reflns_theta_min         2.78
_diffrn_standards_decay_%        0.00
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_R_factor_gt           0.026
_refine_ls_shift/su_max          0.0000
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      sigma
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_reflns_number_gt                1072
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_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            ic048693ysi20050204_055238.cif
_cod_data_source_block           co260/tma-VW
_cod_original_cell_volume        631.0(1)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C6 H6 O2 S '
_cod_database_code               4300937