Information card for entry 4113837

Structure parameters

• Formula: C24 H64 Ba O4 Si6
• Calculated formula: C24 H64 Ba O4 Si6
• SMILES: [Ba]123(C([Si]([O]1C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C([Si]([O]2C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[O](C)CC[O]3C
• Title of publication: Alkyl Complexes of Strontium and Barium: Synthesis and Structural Characterization of {(Me3Si)2(MeOMe2Si)C}2Sr(THF) and {(Me3Si)2(MeOMe2Si)C}2Ba(MeOCH2CH2OMe)
• Authors of publication: Keith Izod; Stephen T. Liddle; William Clegg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 7534 - 7535
• a: 17.76 ± 0.0007 Å
• b: 13.149 ± 0.0005 Å
• c: 16.8334 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3931 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No