Water oxidation by a manganese‒potassium cluster: Mn oxide as a kinetically dominant “true” catalyst for water oxidation
Mousazade, Younes; Mohammadi, Mohammad Reza; Chernev, Petko; Bikas, Rahman; Bagheri, Robabeh; Song, Zhenlun; Lis, Tadeusz; Dau, Holger; Najafpour, Mohammad Mahdi; Catalysis Science & Technology 8 (2018) 4390–; doi:10.1039/C8CY01151F

data_1549715
_publ_section_title
;
 Water oxidation by a manganese--potassium cluster: Mn oxide as a
 kinetically dominant &#x201C;true&#x201D; catalyst for water oxidation
;
_journal_issue                   17
_journal_name_full               'Catalysis Science &amp; Technology'
_journal_page_first              4390
_journal_paper_doi               10.1039/C8CY01151F
_journal_volume                  8
_journal_year                    2018
_chemical_formula_moiety         'C84 H153 K2 Mn8 N O40, C2 H4 O2'
_chemical_formula_sum            'C86 H157 K2 Mn8 N O42'
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_space_group_name_Hall           '-P 2yn'
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_audit_update_record
;
2018-05-19 deposited with the CCDC.
2018-07-22 downloaded from the CCDC.
;
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'CrysAlis RED; Oxford-Diffraction Poland, 2003'
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'CrysAlis CCD; Oxford-Diffraction Poland, 2003'
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;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Analytical numeric absorption correction using a multifaceted crystal
       model based on expressions derived by R.C. Clark & J.S.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            red
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_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0438P)^2^+0.7832P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1486
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8935
_reflns_number_total             16391
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cy01151f2.cif
_cod_data_source_block           B3402BA
_cod_depositor_comments          'Adding full bibliography for 1549715.cif.'
_cod_database_code               1549715
_shelx_estimated_absorpt_t_min   0.734
_shelx_estimated_absorpt_t_max   0.944
_shelxl_version_number           2013-2
_shelx_res_checksum              7304
_publcif_funding_html
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;