Information card for entry 4307066

Structure parameters

• Formula: C20 H28 Ba O10
• Calculated formula: C20 H28 Ba O10
• SMILES: [Ba+2].[O-]C(=O)C(=C)C.C(=O)(C(=C)C)O.C(=O)(C(=C)C)O.C(=O)(C(=C)C)[O-].OC(=O)C(=C)C
• Title of publication: New Methacrylate-Functionalized Ba and Ba-Ti Oxoclusters as Potential Nanosized Building Blocks for Inorganic-Organic Hybrid Materials: Synthesis and Characterization
• Authors of publication: Alberto Albinati; Francesco Faccini; Silvia Gross; Guido Kickelbick; Silvia Rizzato; Alfonso Venzo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3459 - 3466
• a: 14.567 ± 0.003 Å
• b: 26.263 ± 0.002 Å
• c: 7.251 ± 0.004 Å
• α: 90°
• β: 115.94 ± 0.02°
• γ: 90°
• Cell volume: 2494.6 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections: 0.1636
• Weighted residual factors for significantly intense reflections: 0.1574
• Goodness-of-fit parameter for all reflections: 1.14
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No