Information card for entry 2206367

Structure parameters

• Chemical name: tetrasodium bis[tris(salicylato)titanate(IV)] undecahydrate, Na~4~[Ti(C~7~O~3~H~4~)~3~]~2~.11H~2~O
• Formula: C21 H23 Na2 O14.5 Ti
• Calculated formula: C21 H12 Na2 O14.5 Ti
• SMILES: O.[Na+].O.O.c12ccccc1C(=O)O[Ti]13(O2)(Oc2ccccc2C(O1)=O)Oc1ccccc1C(=O)O3.[Na+].O.O.O
• Title of publication: A titanium salicylate, Na~4~[Ti(C~7~H~4~O~3~)~3~]~2~·11H~2~O
• Authors of publication: Raja Dey; Kakoli Mukharjee; Vratislav Langer; Priyobroto Roychowdhury
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1495 - m1497
• a: 17.572 ± 0.003 Å
• b: 9.588 ± 0.005 Å
• c: 30.126 ± 0.003 Å
• α: 90°
• β: 96.6 ± 0.02°
• γ: 90°
• Cell volume: 5042 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1468
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes