Information card for entry 4077884

Structure parameters

• Common name: [Y{C5H3(SiMe3)2}3]
• Formula: C33 H63 Si6 Y
• Calculated formula: C33 H63 Si6 Y
• SMILES: [Y]123456789%10%11%12([c]%13([Si](C)(C)C)[cH]1[c]2([Si](C)(C)C)[cH]3[cH]4%13)([c]1([Si](C)(C)C)[cH]5[c]6([Si](C)(C)C)[cH]7[cH]81)[c]1([Si](C)(C)C)[cH]9[c]%10([Si](C)(C)C)[cH]%11[cH]%121
• Title of publication: Syntheses and Structures of the Crystalline, Highly Crowded 1,3-Bis(trimethylsilyl)cyclopentadienyls [MCp″3] (M = Y, Er, Yb), [PbCp″2], [{YCp″2(μ-OH)}2], [(ScCp″2)2(μ-η2:η2-C2H4)], [YbCp″2Cl(μ-Cl)K(18-crown-6)], and [{KCp″}∞]
• Authors of publication: Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2682
• a: 17.6641 ± 0.0005 Å
• b: 13.634 ± 0.0004 Å
• c: 19.1235 ± 0.0005 Å
• α: 90°
• β: 112.724 ± 0.001°
• γ: 90°
• Cell volume: 4248.1 ± 0.2 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: 0.0986
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No