Ru(ii)- and Ru(iv)-dmso complexes catalyze efficient and selective aqueous-phase nitrile hydration reactions under mild conditions
Trivedi, Manoj; Dubey, Santosh Kumar; Kaur, Gurmeet; Rath, Nigam P.; New Journal of Chemistry 45 (2021) 17339–17346; doi:10.1039/D1NJ03041H

data_7060895
_publ_section_title
;
 Ru(ii)- and Ru(iv)-dmso complexes catalyze efficient and selective
 aqueous-phase nitrile hydration reactions under mild conditions
;
_journal_issue                   37
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17339
_journal_page_last               17346
_journal_paper_doi               10.1039/D1NJ03041H
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         'C6 H18 Cl2 N2 O2 Ru S2'
_chemical_formula_sum            'C6 H18 Cl2 N2 O2 Ru S2'
_chemical_formula_weight         386.31
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;
2021-06-14 deposited with the CCDC.	2021-08-04 downloaded from the CCDC.
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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_computing_molecular_graphics    'ORTEP-32 (Faruggia, 1997)'
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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CrysAlisPro, Oxford Diffraction Ltd.,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
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_refine_ls_extinction_coef       0.0000(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.195
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_refine_ls_number_parameters     143
_refine_ls_number_reflns         2544
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.195
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0656
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0921P)^2^+6.0286P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1867
_refine_ls_wR_factor_ref         0.1930
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2236
_reflns_number_total             2544
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1nj03041h2.cif
_cod_data_source_block           Compound_1
_cod_depositor_comments
'Adding full bibliography for 7060893--7060895.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7060895
_shelxl_version_number           2013-4
_shelx_res_checksum              87599