Information card for entry 7021082

Structure parameters

• Common name: (1,3-Diisopropyl-(5,6-dimethyl)benzimidazol-2-ylidene) chloro(mu$4!-1,5-cyclooctadiene)iridium$I!
• Chemical name: (1,3-Diisopropyl-(5,6-dimethyl)benzimidazol-2-ylidene) chloro(μ^4^-1,5-cyclooctadiene)iridium^I^
• Formula: C23 H34 Cl Ir N2
• Calculated formula: C23 H34 Cl Ir N2
• SMILES: c12cc(C)c(cc2N(C(N1C(C)C)=[Ir]123([CH]4CC[CH]2=[CH]1CC[CH]3=4)Cl)C(C)C)C
• Title of publication: Iridium(i) N-heterocyclic carbene complexes of benzimidazol-2-ylidene: effect of electron donating groups on the catalytic transfer hydrogenation reaction.
• Authors of publication: Gülcemal, Süleyman; Gökçe, Aytaç Gürhan; Cetinkaya, Bekir
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 7305 - 7311
• a: 17.1618 ± 0.0016 Å
• b: 14.1773 ± 0.0007 Å
• c: 12.8587 ± 0.0011 Å
• α: 90°
• β: 133.312 ± 0.016°
• γ: 90°
• Cell volume: 2276.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No