Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.
López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni; Inorganic chemistry 54 (2015) 658–666; doi:10.1021/ic502603e

data_4341993
_publ_section_title
;
 Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.
;
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_journal_name_full               'Inorganic chemistry'
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_journal_paper_doi               10.1021/ic502603e
_journal_volume                  54
_journal_year                    2015
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 ? 
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;
 Fullsphere data collection, phi and omega scans
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; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            red
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_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0499P)^2^+6.7457P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1026
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_reflns_number_gt                11751
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_cod_data_source_file            ic502603e_si_002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_measurement_specimen_suppport' tag replaced with
'_diffrn_measurement_specimen_support'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4341987--4341996.cif.
;
_cod_original_cell_volume        2757.3(11)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C50 H41 Cl5 N10 O22.50 Ru2'
_cod_database_code               4341993