Investigations of the Effect of the Non-Manganese Metal in Heterometallic-Oxido Cluster Models of the Oxygen Evolving Complex of Photosystem II: Lanthanides as Substitutes for Calcium.
Lin, Po-Heng; Takase, Michael K.; Agapie, Theodor; Inorganic chemistry 54 (2015) 59–64; doi:10.1021/ic5015219

data_4341971
_publ_section_title
;
 Investigations of the Effect of the Non-Manganese Metal in
 Heterometallic-Oxido Cluster Models of the Oxygen Evolving Complex of
 Photosystem II: Lanthanides as Substitutes for Calcium.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              59
_journal_page_last               64
_journal_paper_doi               10.1021/ic5015219
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C76 H76 F3 Mn3 N10 O20 S Yb'
_chemical_formula_weight         1876.38
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_cell_measurement_temperature    100(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_exptl_crystal_description       Plate
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0291P)^2^+3.3496P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             23037
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4341969--4341973.cif.'
_cod_database_code               4341971
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_shelx_estimated_absorpt_t_max   0.914
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_shelx_hkl_checksum              11216