Synthesis, characterization, and catalytic application in aldehyde hydrosilylation of half-sandwich nickel complexes bearing (κ<sup>1</sup>-C)- and hemilabile (κ<sup>2</sup>-C,S)-thioether-functionalised NHC ligands.
Ulm, Franck; Poblador-Bahamonde, Amalia I; Choppin, Sabine; Bellemin-Laponnaz, Stéphane; Chetcuti, Michael J.; Achard, Thierry; Ritleng, Vincent; Dalton transactions (Cambridge, England : 2003) 47 (2018) 17134–17145; doi:10.1039/c8dt03882a

data_7048123
_publ_section_title
;
 Synthesis, characterization, and catalytic application in aldehyde
 hydrosilylation of half-sandwich nickel complexes bearing
 (\k<sup>1</sup>-C)- and hemilabile
 (\k<sup>2</sup>-C,S)-thioether-functionalised NHC ligands.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17134
_journal_page_last               17145
_journal_paper_doi               10.1039/c8dt03882a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C23 H23 Br N2 Ni S'
_chemical_formula_sum            'C23 H23 Br N2 Ni S'
_chemical_formula_weight         498.11
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-09-13 deposited with the CCDC.
2018-11-16 downloaded from the CCDC.
;
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_cell_measurement_theta_min      2.63
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_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
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_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.975
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0245
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_diffrn_reflns_number            30977
_diffrn_reflns_point_group_measured_fraction_full 0.975
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'Re-crystallisation from solvent: thf / n-hexane'
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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^)+(0.0369P)^2^+2.5910P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             6301
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7048120--7048123.cif.'
_cod_original_cell_volume        2196.6(13)
_cod_database_code               7048123
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