Ligand-Controlled Magnetic Interactions in Mn4 Clusters
Erik Kampert; Femke F. B. J. Janssen; Danil W. Boukhvalov; Jaap C. Russcher; Jan M. M. Smits; René de Gelder; Bas de Bruin; Peter C. M. Christianen; Uli Zeitler; Mikhail I. Katsnelson; Jan C. Maan; Alan E. Rowan; Inorganic Chemistry 48 (2009) 11903–11908; doi:10.1021/ic901930w

data_4303921
_publ_contact_author
;
        Prof. Dr. A.E. Rowan
        Molecular Materials
        Institute for Molecules and Materials
        Radboud University Nijmegen
        Heyendaalseweg 135
        6525 AJ  Nijmegen
        The Netherlands
;
_publ_contact_author_email       A.Rowan@science.ru.nl
_publ_contact_author_fax         '031 024 3553393'
_publ_contact_author_phone       '031 024 3652323'
_publ_section_title
;
Ligand-Controlled Magnetic Interactions in Mn4 Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11903
_journal_page_last               11908
_journal_paper_doi               10.1021/ic901930w
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C54 H42 F12 Mn4 N6 O13'
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_chemical_name_systematic
;
 ?
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_cell_measurement_temperature    208(2)
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Nonius "Collect" program suite (Nonius, 1999)
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Nonius "EvalCCD" program suite (Duisenberg, 1998)
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PLATON (Spek, 2003)
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DIRDIF (Beurskens et al., 1996),
PATTY (Beurskens et al., 1987)
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_refine_ls_structure_factor_coef Fsqd
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;
w=1/[\s^2^(Fo^2^)+(0.1265P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.2337
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_reflns_observed_criterion       >2sigma(I)
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_cod_data_source_file            ic901930w_si_002.cif
_cod_data_source_block           compound_3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (114
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (265 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        6661.4(18)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4303921