Information card for entry 4105977

Structure parameters

• Common name: [Cp'TmMe2]3
• Formula: C42 H81 Si3 Tm3
• Calculated formula: C42 H81 Si3 Tm3
• SMILES: [Tm]1234567([c]8([c]1([Si](C)(C)C)[c]2([c]3([c]48C)C)C)C)[CH3][Tm]12348([CH3]7)([c]7([c]1([c]2([c]3(C)[c]47[Si](C)(C)C)C)C)C)[CH3][Tm]1234([CH3]5)([CH3]6)([CH3]8)[c]5([Si](C)(C)C)[c]1([c]2([c]3([c]45C)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: 12.504 ± 0.002 Å
• b: 21.79 ± 0.004 Å
• c: 18.052 ± 0.003 Å
• α: 90°
• β: 106.302 ± 0.002°
• γ: 90°
• Cell volume: 4720.7 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No