Information card for entry 4114319

Structure parameters

• Formula: C25 H32 Cl N2 Rh
• Calculated formula: C25 H32 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N(C(C)C)c5cccc6c5c(N4C(C)C)ccc6)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Constructing a Stable Carbene with a Novel Topology and Electronic Framework
• Authors of publication: Patrick Bazinet; Glenn P. A. Yap; Darrin S. Richeson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13314 - 13315
• a: 10.241 ± 0.002 Å
• b: 16.129 ± 0.003 Å
• c: 14.067 ± 0.003 Å
• α: 90°
• β: 104.722 ± 0.004°
• γ: 90°
• Cell volume: 2247.3 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1916
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No