Information card for entry 2206768

Structure parameters

• Chemical name: Piperazinium(2+) fac-tris(salicylato-κ^2^O,O')titanate(IV) monohydrate dimethylformamide solvate
• Formula: C28 H33 N3 O11 Ti
• Calculated formula: C28 H33 N3 O11 Ti
• SMILES: [Ti]123(Oc4ccccc4C(=O)O1)(Oc1ccccc1C(=O)O2)Oc1ccccc1C(=O)O3.O=CN(C)C.O.[NH2+]1CC[NH2+]CC1
• Title of publication: Piperazinium(2+) <i>fac</i>-tris(salicylato-κ^2^<i>O</i>,<i>O</i>')titanate(IV) monohydrate dimethylformamide solvate
• 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: m1733 - m1734
• a: 9.021 ± 0.001 Å
• b: 11.072 ± 0.001 Å
• c: 15.067 ± 0.002 Å
• α: 75.545 ± 0.002°
• β: 84.83 ± 0.002°
• γ: 87.146 ± 0.003°
• Cell volume: 1450.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes