Information card for entry 4077890

Structure parameters

• Formula: C34 H66 Cl2 K La O6 Si4
• Calculated formula: C34 H66 Cl2 K La O6 Si4
• SMILES: [La]12345678([Cl][K]9%10%11%12%13[O]%14CC[O]9CC[O]%10CC[O]%11CC[O]%12CC[O]%13CC%14)(Cl)([c]9([cH]4[cH]3[c]2([Si](C)(C)C)[cH]19)[Si](C)(C)C)[c]1([cH]5[c]6([Si](C)(C)C)[cH]7[cH]81)[Si](C)(C)C
• 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: 19.025 ± 0.005 Å
• b: 11.671 ± 0.009 Å
• c: 21.525 ± 0.005 Å
• α: 90°
• β: 93.32 ± 0.02°
• γ: 90°
• Cell volume: 4771 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0998
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No