Ruthenium complexes of phosphine-amide based ligands as efficient catalysts for transfer hydrogenation reactions.
Yadav, Samanta; Vijayan, Paranthaman; Yadav, Sunil; Gupta, Rajeev; Dalton transactions (Cambridge, England : 2003) 50 (2021) 3269–3279; doi:10.1039/d0dt04401f

data_7706534
_publ_section_title
;
 Ruthenium complexes of phosphine-amide based ligands as efficient
 catalysts for transfer hydrogenation reactions.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3269
_journal_page_last               3279
_journal_paper_doi               10.1039/d0dt04401f
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C26 H22 Cl N2 O3 P Ru'
_chemical_formula_sum            'C26 H22 Cl N2 O3 P Ru'
_chemical_formula_weight         577.94
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_space_group_name_Hall           '-I 2ya'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2020-03-31 deposited with the CCDC.	2021-01-29 downloaded from the CCDC.
;
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_cell_volume                     4997.9(4)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  XcaliburSapphire3
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0358
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.612
_diffrn_reflns_theta_min         3.278
_exptl_absorpt_coefficient_mu    0.829
_exptl_absorpt_correction_type   none
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_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2336
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_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.641
_refine_diff_density_min         -0.376
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         4384
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0377P)^2^+8.4524P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0859
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3679
_reflns_number_total             4384
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt04401f2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7706533--7706535.cif.'
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               7706534
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              87155