Mechanistic diversity in acetophenone transfer hydrogenation catalyzed by ruthenium iminophosphonamide complexes.
Kalsin, Alexander M.; Peganova, Tatyana A.; Sinopalnikova, Iana S.; Fedyanin, Ivan V.; Belkova, Natalia V.; Deydier, Eric; Poli, Rinaldo; Dalton transactions (Cambridge, England : 2003) 49 (2020) 1473–1484; doi:10.1039/c9dt04532e

data_7703055
_publ_section_title
;
 Mechanistic diversity in acetophenone transfer hydrogenation catalyzed by
 ruthenium iminophosphonamide complexes.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1473
_journal_page_last               1484
_journal_paper_doi               10.1039/c9dt04532e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C32 H38 Cl N2 P Ru'
_chemical_formula_sum            'C32 H38 Cl N2 P Ru'
_chemical_formula_weight         618.13
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           'Modified SHELXL output'
_audit_update_record
;
2019-09-30 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                98.3850(10)
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_cell_angle_gamma                104.7520(10)
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_cell_length_b                   10.2597(5)
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_cell_measurement_temperature    120(2)
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_cell_measurement_theta_min      2.22
_cell_volume                     1400.70(12)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
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_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_type            'Bruker APEX II CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX DUO diffractometer'
_diffrn_measurement_method       '\o scans'
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_exptl_absorpt_process_details   SADABS
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_refine_ls_number_reflns         8156
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_refine_ls_R_factor_gt           0.0283
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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^)+(0.0270P)^2^+0.5000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0672
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_reflns_number_gt                7131
_reflns_number_total             8156
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt04532e2.cif
_cod_data_source_block           ak249
_cod_depositor_comments
'Adding full bibliography for 7703055--7703056.cif.'
_cod_database_code               7703055
_publ_contact_name               'Fedyanin, Ivan V.'
_publ_contact_email              octy@xrlab.ineos.ac.ru
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.793
_shelx_estimated_absorpt_t_max   0.820
_shelx_res_checksum              17508