Information card for entry 4108064

Structure parameters

• Formula: C32 H47 N Rh2
• Calculated formula: C32 H47 N 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]1([c]5([c]4([c]3([c]21C)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: 16.831 ± 0.007 Å
• b: 16.775 ± 0.005 Å
• c: 23.043 ± 0.007 Å
• α: 90°
• β: 103.634 ± 0.015°
• γ: 90°
• Cell volume: 6323 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No