Information card for entry 4105979

Structure parameters

• Common name: [Cp'3Tm3CH2Me4]
• Formula: C41 H77 Si3 Tm3
• Calculated formula: C41 H77 Si3 Tm3
• SMILES: [Tm]1234567([CH3][Tm]89%10%11%12%13([CH3][Tm]%14%15%16%17([CH2]1%13)([CH3]3%12)([CH3]5)[c]1([Si](C)(C)C)[c]%14([c]%15([c]%16([c]%171C)C)C)C)[c]1([Si](C)(C)C)[c]8([c]9([c]%10([c]%111C)C)C)C)[c]1([Si](C)(C)C)[c]6([c]7([c]4([c]21C)C)C)C
• Title of publication: Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of "(C5Me4SiMe3)LnCH2" Units (Ln = Tm, Lu)
• Authors of publication: Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 5712 - 5715
• a: 15.0165 ± 0.0018 Å
• b: 14.5158 ± 0.0018 Å
• c: 22.019 ± 0.003 Å
• α: 90°
• β: 92.711 ± 0.002°
• γ: 90°
• Cell volume: 4794.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No