Information card for entry 4132683

Structure parameters

• Formula: C30 H41 Cl N O2 Rh
• Calculated formula: C30 H41 Cl N O2 Rh
• SMILES: [Rh](=C1N(c2c(cccc2C(C)C)C(C)C)C(CCC21C1CC3CC2CC(C3)C1)(C)C)(Cl)(C#[O])C#[O]
• Title of publication: Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.
• Authors of publication: Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 29
• Pages of publication: 9255 - 9260
• a: 9.9542 ± 0.0003 Å
• b: 15.6195 ± 0.0004 Å
• c: 17.9011 ± 0.0006 Å
• α: 90°
• β: 103.015 ± 0.002°
• γ: 90°
• Cell volume: 2711.76 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No