Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand
Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu; ACS Catalysis 10 (2020) 12223–12228; doi:10.1021/acscatal.0c02779

data_4518119
_publ_section_title
;
 Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine
 Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand
;
_journal_issue                   20
_journal_name_full               'ACS Catalysis'
_journal_page_first              12223
_journal_page_last               12228
_journal_paper_doi               10.1021/acscatal.0c02779
_journal_volume                  10
_journal_year                    2020
_chemical_formula_moiety         'C39H29N3P2AlCl4Rh, 2(C3H7NO), 2(CH4O)'
_chemical_formula_sum            'C47 H51 Al Cl4 N5 O4 P2 Rh'
_chemical_formula_weight         1083.55
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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_cell_angle_gamma                90
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_cell_measurement_theta_min      2.4660
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_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0489
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_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.937
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
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_refine_ls_matrix_type           full
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_refine_ls_restrained_S_all      1.107
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0469P)^2^+10.1745P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                11782
_reflns_number_total             14609
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cs0c02779_si_002.cif
_cod_data_source_block           2-Al
_cod_depositor_comments
'Adding full bibliography for 4518119--4518122.cif.'
_cod_original_cell_volume        4791.95(18)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4518119
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.932
_shelx_estimated_absorpt_t_max   0.965
_shelx_res_checksum              59343
_shelx_hkl_checksum              81339