Information card for entry 4108065

Structure parameters

• Formula: C37 H56 N2 Rh2
• Calculated formula: C37 H56 N2 Rh2
• SMILES: [Rh]12345([Rh]6789(N1c1c(cccc1C(C)C)C(C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)(C#[N]C(C)(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Divalent Dirhodium Imido Complexes: Formation, Structure, and Alkyne Cycloaddition Reactivity
• Authors of publication: Shin Takemoto; Shohei Otsuki; Yasuhiro Hashimoto; Ken Kamikawa; Hiroyuki Matsuzaka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8904 - 8905
• a: 18.111 ± 0.004 Å
• b: 11.438 ± 0.004 Å
• c: 17.523 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3630 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No