Half-sandwich nickel complexes with ring-expanded NHC ligands - synthesis, structure and catalytic activity in Kumada-Tamao-Corriu coupling.
Banach, Ł; Guńka, P A; Buchowicz, W.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 8688–8692; doi:10.1039/c5dt04663g

data_7038181
_publ_section_title
;
 Half-sandwich nickel complexes with ring-expanded NHC ligands -
 synthesis, structure and catalytic activity in Kumada-Tamao-Corriu
 coupling.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8688
_journal_page_last               8692
_journal_paper_doi               10.1039/c5dt04663g
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         '2(C27 H33 Br N2 Ni), C7 H8'
_chemical_formula_sum            'C61 H74 Br2 N4 Ni2'
_chemical_formula_weight         1140.48
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_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'
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Olex2 1.2-beta
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2015-10-07 deposited with the CCDC.
2016-01-26 downloaded from the CCDC.
;
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CrysAlisPro, Agilent Technologies,
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;
  1 omega  -46.00   56.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.4946   38.0000   60.0000 102

  2 omega  -49.00   54.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
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  3 omega  -98.00   14.00   1.0000   60.0000
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  4 omega   -4.00   62.00   1.0000   60.0000
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  5 omega  -93.00   10.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
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  6 omega  -95.00    1.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
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  7 omega -109.00  -34.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
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_diffrn_reflns_theta_full        26.000
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_diffrn_source                   'Enhance (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
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Analytical numeric absorption correction using a multifaceted crystal
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(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
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'Re-crystallisation from solvent: toluene/diethyl ether'
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'w=1/[\s^2^(Fo^2^)+(0.0270P)^2^+12.4060P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
'Adding full bibliography for 7038181--7038183.cif.'
_cod_database_code               7038181
_chemical_oxdiff_formula         'C61 H74 Br2 N4 Ni2'
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_reflns_odcompleteness_theta     26.32
_shelx_res_checksum              72769
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_olex2_submission_special_instructions 'No special instructions were received'