Information card for entry 4080967

Structure parameters

• Common name: Cp'4Lu4HMe7
• Formula: C55 H106 Lu4 Si4
• Calculated formula: C55 H106 Lu4 Si4
• SMILES: [Lu]12345678([CH3][Lu]9%10%11%12%13%14%15([CH3][Lu]%16%17%18%19%20([CH3][Lu]%21%22%23%24([CH3]19)([CH3]2)([CH3]%10)([c]1([Si](C)(C)C)[c]%21([c]%22([c]%23([c]%241C)C)C)C)[H]3%11%16)([CH3]4)[c]1([Si](C)(C)C)[c]%17([c]%18([c]%19([c]%201C)C)C)C)[c]1([Si](C)(C)C)[c]%12([c]%13([c]%14([c]%151C)C)C)C)[c]1([Si](C)(C)C)[c]7([c]8([c]5([c]61C)C)C)C
• Title of publication: Hydrogenolysis and Protonation of Polymetallic Lutetium Methylidene and Methyl Complexes
• Authors of publication: Li, Tingting; Nishiura, Masayoshi; Cheng, Jianhua; Zhang, Wenxiong; Li, Yang; Hou, Zhaomin
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4142
• a: 23.07 ± 0.0013 Å
• b: 12.8629 ± 0.0007 Å
• c: 41.788 ± 0.002 Å
• α: 90°
• β: 92.655 ± 0.001°
• γ: 90°
• Cell volume: 12387.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No