Information card for entry 4083344

Structure parameters

• Formula: C21 H29 Cl N3 Rh
• Calculated formula: C21 H29 Cl N3 Rh
• SMILES: [Rh]123(Cl)(=C4N(C=CN4c4c(N)cccc4)CCCC)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Charge-Delocalized κ2C,N-NHC-Amine Complexes of Rhodium, Iridium, and Ruthenium
• Authors of publication: Jansen, Eveline; Lutz, Martin; Bruin, Bas de; Elsevier, Cornelis J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2853
• a: 10.3576 ± 0.0005 Å
• b: 19.6165 ± 0.0009 Å
• c: 10.2949 ± 0.0005 Å
• α: 90°
• β: 108.715 ± 0.0009°
• γ: 90°
• Cell volume: 1981.12 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No