Information card for entry 7014410

Structure parameters

• Formula: C21 H38 Cl Ir N2 O3 Si
• Calculated formula: C21 H38 Cl Ir N2 O3 Si
• SMILES: [Ir]123(Cl)(=C4N(C=CN4C(C)(C)C)CCC[Si](OC)(OC)OC)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Heterogenised N-heterocyclic carbene complexes: synthesis, characterisation and application for hydroformylation and C-C bond formation reactions.
• Authors of publication: Dastgir, Sarim; Coleman, Karl S.; Green, Malcolm L. H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 661 - 672
• a: 7.3574 ± 0.0002 Å
• b: 9.8123 ± 0.0003 Å
• c: 17.6344 ± 0.0005 Å
• α: 97.7864 ± 0.001°
• β: 99.9008 ± 0.0011°
• γ: 100.057 ± 0.0013°
• Cell volume: 1216.74 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No