Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones
Jagtap, Rahul A.; Ankade, Shidheshwar B.; Gonnade, Rajesh G.; Punji, Benudhar; New Journal of Chemistry 45 (2021) 11927–11936; doi:10.1039/D1NJ01698A

data_7060708
_publ_section_title
;
 Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones:
 application in transfer hydrogenation of ketones
;
_journal_issue                   27
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11927
_journal_page_last               11936
_journal_paper_doi               10.1039/D1NJ01698A
_journal_volume                  45
_journal_year                    2021
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C19 H28 Cl N3 Ni O2'
_chemical_formula_sum            'C19 H28 Cl N3 Ni O2'
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_audit_update_record
;
2021-03-29 deposited with the CCDC.	2021-05-31 downloaded from the CCDC.
;
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0249
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.523
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_diffrn_source                   'micro-focus sealed tube'
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_exptl_crystal_description       plate
_exptl_crystal_F_000             896
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_exptl_crystal_size_mid          0.170
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.023(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0193
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0206P)^2^+0.3822P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0481
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_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                6036
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           RJ-E-04
_cod_depositor_comments
'Adding full bibliography for 7060706--7060708.cif.'
_cod_database_code               7060708
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.809
_shelx_estimated_absorpt_t_max   0.947
_shelx_res_checksum              12225