Information card for entry 7044265

Structure parameters

• Chemical name: 2,5-Bis[(trimethylsilyl)oxy]-2,5-cyclohexadiene-1,4-dione
• Formula: C12 H20 O4 Si2
• Calculated formula: C12 H20 O4 Si2
• SMILES: C1(=O)C(=CC(=O)C(=C1)O[Si](C)(C)C)O[Si](C)(C)C
• Title of publication: Thermal expansion and magnetic properties of benzoquinone-bridged dinuclear rare-earth complexes
• Authors of publication: Moilanen, Jani; Mansikkamäki, Akseli; Lahtinen, Manu; Guo, Fu-Sheng; Kalenius, Elina; Layfield, Richard; Chibotaru, Liviu F.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 6.3882 ± 0.00016 Å
• b: 9.9721 ± 0.0003 Å
• c: 11.9758 ± 0.0003 Å
• α: 90°
• β: 100.55 ± 0.003°
• γ: 90°
• Cell volume: 750.01 ± 0.04 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 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: 0.0332
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No