Information card for entry 4309269

Structure parameters

• Formula: C44 H56 Al2 Ba O8
• Calculated formula: C44 H56 Al2 Ba O8
• SMILES: C[Al](C)([O]1c2cccc3c2[O]2C(C)(C3)C)[O]3c4cccc5CC(C)(C)[O](c45)[Ba]123456[O](c1cccc2CC([O]4c12)(C)C)[Al](C)(C)[O]5c1cccc2CC([O]6c12)(C)C
• 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: 12.5 ± 0.002 Å
• b: 17.71 ± 0.002 Å
• c: 20.468 ± 0.002 Å
• α: 90°
• β: 103.25 ± 0.01°
• γ: 90°
• Cell volume: 4410.5 ± 1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No