Indium-catalyzed hydrosilylation of nitroarenes to aromatic amines.
Sai Kumar, Gobbilla; Bano, Kulsum; Biswal, Priyabrata; Dey, Soumyadip; Kumar, Ravi; Sau, Abhijit; Chandrasekhar, Vadapalli; Panda, Tarun K.; Dalton transactions (Cambridge, England : 2003) 54 (2025) 1552–1559; doi:10.1039/d4dt02861a

data_7717467
_publ_section_title
;
 Indium-catalyzed hydrosilylation of nitroarenes to aromatic amines.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1552
_journal_page_last               1559
_journal_paper_doi               10.1039/d4dt02861a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C18 H22 Cl2 In N2 O P S'
_chemical_formula_weight         531.12
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_audit_update_record
;
2024-07-28 deposited with the CCDC.	2024-11-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_theta_max      27.169
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_computing_cell_refinement
'CrysAlisPro, Agilent Technologies,Version 1.171.35.19 (release 27-10-2011CrysAlis171 .NET)(compiled Oct 27'
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'CrysAlisPro, Agilent Technologies,Version 1.171.35.19 (release 27-10-2011CrysAlis171 .NET)(compiled Oct 27'
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'CrysAlisPro, Agilent Technologies,Version 1.171.35.19 (release 27-10-2011CrysAlis171 .NET)(compiled Oct 27'
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_diffrn_ambient_temperature      273(2)
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_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  Bruker
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_av_unetI/netI     0.0442
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_diffrn_reflns_limit_h_max       26
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_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
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_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19543
_diffrn_reflns_point_group_measured_fraction_full 0.993
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         2.979
_diffrn_source                   'Bruker (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.516
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.651
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_description       plates
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_exptl_crystal_size_mid          0.25
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_refine_diff_density_min         -0.723
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_refine_ls_abs_structure_details
;
 Flack x determined using 2000 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4746
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0289
_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^)+(0.0376P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0688
_reflns_Friedel_coverage         0.979
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.975
_reflns_number_gt                4402
_reflns_number_total             4746
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt02861a2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7717466--7717468.cif.'
_cod_original_cell_volume        2168.64(18)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7717467
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              38293
_shelx_hkl_checksum              64737