Information card for entry 2206767

Structure parameters

• Chemical name: Bis(dimethylammonium) mer-tris(salicylato-κ^2^O,O')titanate(IV)
• Formula: C25 H28 N2 O9 Ti
• Calculated formula: C25 H28 N2 O9 Ti
• SMILES: [Ti]123(Oc4ccccc4C(=O)O1)(Oc1ccccc1C(=O)O2)Oc1ccccc1C(=O)O3.[NH2+](C)C.[NH2+](C)C
• Title of publication: Bis(dimethylammonium) <i>mer</i>-tris(salicylato-κ^2^<i>O</i>,<i>O</i>')titanate(IV)
• Authors of publication: Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1730 - m1732
• a: 11.589 ± 0.001 Å
• b: 14.27 ± 0.001 Å
• c: 15.463 ± 0.001 Å
• α: 90°
• β: 92.259 ± 0.001°
• γ: 90°
• Cell volume: 2555.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes