Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[MnII(CN)6] and Na2MnII[MnII(CN)6].2H2O
Christopher M. Kareis; Saul H. Lapidus; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller; Journal of the American Chemical Society 134 (2012) 2246–2254; doi:10.1021/ja209799y

data_4117370
_publ_section_title
;
 Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[MnII(CN)6]
 and Na2MnII[MnII(CN)6].2H2O
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2246
_journal_page_last               2254
_journal_paper_doi               10.1021/ja209799y
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C3 Mn N3, Na'
_chemical_formula_sum            'C3 Mn N3 Na'
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_chemical_name_systematic
;
?
;
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_cell_length_c                   19.2585(9)
_cell_measurement_temperature    300
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_computing_cell_refinement       TOPAS-Academic
_computing_data_collection       SPEC
_computing_data_reduction        TOPAS-Academic
_computing_structure_refinement  TOPAS-Academic
_computing_structure_solution    TOPAS-Academic
_diffrn_ambient_temperature      300
_diffrn_detector                 'NaI scintillation counter'
_diffrn_measurement_device_type  'Huber diffractometer'
_diffrn_radiation_monochromator  'Si(111) channel cut'
_diffrn_radiation_type           synchrotron
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;
X16C, National Synchrotron Light Source, Brookhaven National Laboratory
;
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_pd_proc_ls_background_function
;
3 Pearson-Voight peaks and Chebyshev polynomial with 10 coefficients
;
_pd_proc_ls_pref_orient_corr
;
none
;
_pd_proc_ls_profile_function
;
Simple_Axial_model function with Rp=9999,Rs=330 in TOPAS-Academic
;
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;
capillary
;
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_refine_ls_weighting_details     1/(sigma*sigma)
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_cod_data_source_file            ja209799y_si_001_3.cif
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