Selective and high yield transformation of glycerol to lactic acid using NNN pincer ruthenium catalysts.
Dutta, Moumita; Das, Kanu; Prathapa, Siriyara Jagannatha; Srivastava, Hemant Kumar; Kumar, Akshai; Chemical communications (Cambridge, England) 56 (2020) 9886–9889; doi:10.1039/d0cc02884c

data_7126887
_publ_section_title
;
 Selective and high yield transformation of glycerol to lactic acid using
 NNN pincer ruthenium catalysts.
;
_journal_issue                   68
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9886
_journal_page_last               9889
_journal_paper_doi               10.1039/d0cc02884c
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C55 H43 Cl F6 N5 P3 Ru'
_chemical_formula_sum            'C55 H43 Cl F6 N5 P3 Ru'
_chemical_formula_weight         1117.37
_chemical_name_common            '[(Bim2NNN)RuCl(PPh3)2]PF6'
_chemical_name_systematic        '[(Bim2NNN)RuCl(PPh3)2]PF6'
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;
2020-06-14 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Methanol'
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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^)+(0.0224P)^2^+68.1419P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2244
_refine_ls_wR_factor_ref         0.2418
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6798
_reflns_number_total             9501
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc02884c2.cif
_cod_data_source_block           exp_6773_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7126886--7126887.cif.
;
_cod_original_cell_volume        5404.4(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7126887
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              87959
_shelx_hkl_checksum              31723
_shelx_fab_checksum              46057