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_7706535
_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         'C30 H20 Cl N2 O3 P Ru'
_chemical_formula_sum            'C30 H20 Cl N2 O3 P Ru'
_chemical_formula_weight         623.97
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-03-31 deposited with the CCDC.	2021-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.983(12)
_cell_angle_gamma                90
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_cell_length_b                   19.520(2)
_cell_length_c                   16.0093(18)
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_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.9220
_cell_measurement_theta_min      3.6160
_cell_volume                     2631.8(6)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.825
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1200
_diffrn_reflns_av_unetI/netI     0.1917
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.825
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            38198
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.825
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.884
_diffrn_reflns_theta_min         3.255
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.727
_refine_diff_density_min         -1.552
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6858
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.975
_refine_ls_R_factor_all          0.1840
_refine_ls_R_factor_gt           0.1008
_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^)+(0.1412P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2211
_refine_ls_wR_factor_ref         0.3019
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3318
_reflns_number_total             6858
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt04401f2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7706533--7706535.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7706535
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              11169