Information card for entry 4309268

Structure parameters

• Formula: C12 H28 Ba O9
• Calculated formula: C12 H28 Ba O9
• SMILES: [Ba]123456([O](CCO1)CCO2)([O](CC[OH]3)CC[OH]4)[O](CC[OH]5)CC[OH]6
• Title of publication: Synthesis of Homoleptic Barium Alkoxides and Aryloxides and Their Reactions with Al(CH3)3: a Convenient Route to Heterometallic Species
• Authors of publication: Józef Utko; Sławomir Szafert; Lucjan B. Jerzykiewicz; Piotr Sobota
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5194 - 5196
• a: 9.568 ± 0.002 Å
• b: 9.764 ± 0.002 Å
• c: 11.541 ± 0.002 Å
• α: 69.95 ± 0.01°
• β: 77.33 ± 0.01°
• γ: 60.93 ± 0.01°
• Cell volume: 883.4 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No