Information card for entry 4067006

Structure parameters

• Common name: 7-KetoMes-Rh(CO)2Cl
• Formula: C29 H38 Cl N2 O4 Rh
• Calculated formula: C29 H38 Cl N2 O4 Rh
• SMILES: C1(=[Rh](C#[O])(C#[O])Cl)N(C(=O)c2c(C(=O)N1c1c(cc(cc1C)C)C)cccc2)c1c(cc(cc1C)C)C
• Title of publication: A Seven-MemberedN,N′-Diamidocarbene
• Authors of publication: Hudnall, Todd W.; Tennyson, Andrew G.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4569
• a: 8.407 ± 0.0009 Å
• b: 15.2225 ± 0.0017 Å
• c: 10.5861 ± 0.0012 Å
• α: 90°
• β: 101.503 ± 0.003°
• γ: 90°
• Cell volume: 1327.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No