Information card for entry 4105982

Structure parameters

• Formula: C53 H83 O Si3 Tm3
• Calculated formula: C53 H83 O Si3 Tm3
• SMILES: [Tm]1234567([c]8([Si](C)(C)C)[c]1([c]2([c]3([c]48C)C)C)C)[CH3][Tm]123489([c]%10([Si](C)(C)C)[c]1([c]2([c]3([c]4%10C)C)C)C)[CH3][Tm]1234%10([CH3]5)([C]56=CC=CC=C5C([O]78)(C5=CC=CC=[C]9%105)C)[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: 21.091 ± 0.003 Å
• b: 13.0175 ± 0.0017 Å
• c: 19.404 ± 0.003 Å
• α: 90°
• β: 91.046 ± 0.002°
• γ: 90°
• Cell volume: 5326.5 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No