Information card for entry 4311603

Structure parameters

• Common name: (6) [TiRb(ONep)5(py)]2
• Formula: C60 H120 N2 O10 Rb2 Ti2
• Calculated formula: C60 H120 N2 O10 Rb2 Ti2
• SMILES: [Ti]123([O](CC(C)(C)C)[Rb]4([O]1CC(C)(C)C)([n]1ccccc1)[O]([Ti]1([O]([Rb]([n]5ccccc5)([O]2CC(C)(C)C)([O]3CC(C)(C)C)[O]1CC(C)(C)C)CC(C)(C)C)(OCC(C)(C)C)[O]4CC(C)(C)C)CC(C)(C)C)OCC(C)(C)C
• Title of publication: Synthesis and Characterization of a Series of Rubidium Alkoxides and Rubidium-Titanium Double Alkoxides
• Authors of publication: Scott D. Bunge; Timothy J. Boyle; Harry D. Pratt; Todd M. Alam; Mark A. Rodriguez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6035 - 6041
• a: 11.3747 ± 0.0019 Å
• b: 20.282 ± 0.004 Å
• c: 16.399 ± 0.003 Å
• α: 90°
• β: 101.573 ± 0.003°
• γ: 90°
• Cell volume: 3706.4 ± 1.2 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 6
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No