Information card for entry 4072686

Structure parameters

• Formula: C29 H38 Cl N2 Rh
• Calculated formula: C29 H38 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N(CCN4c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Synthesis of N-Heterocylic Carbene-Containing Metal Complexes from 2-(Pentafluorophenyl)imidazolidines
• Authors of publication: Blum, Angela P.; Ritter, Tobias; Grubbs, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 2122
• a: 15.3893 ± 0.0004 Å
• b: 11.8053 ± 0.0003 Å
• c: 14.9767 ± 0.0004 Å
• α: 90°
• β: 107.341 ± 0.001°
• γ: 90°
• Cell volume: 2597.23 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 2.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No