Single-Molecule Magnet Behavior of a Tetranuclear Iron(III) Complex. The Origin of Slow Magnetic Relaxation in Iron(III) Clusters
A. L. Barra; A. Caneschi; A. Cornia; F. Fabrizi de Biani; D. Gatteschi; C. Sangregorio; R. Sessoli; L. Sorace; Journal of the American Chemical Society 121 (1999) 5302–5310; doi:10.1021/ja9818755

data_4116407
_publ_section_title
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 Single-Molecule Magnet Behavior of a Tetranuclear Iron(III) Complex. The
 Origin of Slow Magnetic Relaxation in Iron(III) Clusters
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_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5302
_journal_page_last               5310
_journal_paper_doi               10.1021/ja9818755
_journal_volume                  121
_journal_year                    1999
_chemical_formula_moiety         Fe4(OCH3)6(C11H19O2)6
_chemical_formula_sum            'C72 H132 Fe4 O18'
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_chemical_name_systematic
; 
 ? 
;
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_diffrn_ambient_temperature      200(2)
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_diffrn_measurement_device_type  'Enraf-Nonius CAD4 4-circle-diffractometer'
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_diffrn_standards_decay_%        none
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_refine_ls_shift/su_mean         0.017
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[sigma^2(Fo^2)+(0.1528*P)^2+0.0000*P] where P=(Max(Fo^2,0)+2*Fc^2)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2091
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja9818755.cif
_cod_data_source_block           fe4(dpm)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[sigma^2(Fo^2)+(0.1528*P)^2+0.0000*P] where
P=(Max(Fo^2,0)+2*Fc^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/[sigma^2(Fo^2)+(0.1528*P)^2+0.0000*P] where
P=(Max(Fo^2,0)+2*Fc^2)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               4116407