Information card for entry 2207231

Structure parameters

• Chemical name: Piperazinium fac-tris(salicylato-κ^2^O,O')titanate(IV) dimethylformamide solvate
• Formula: C28 H31 N3 O10 Ti
• Calculated formula: C28 H31 N3 O10 Ti
• SMILES: [Ti]123(Oc4ccccc4C(=O)O1)(OC(=O)c1c(O2)cccc1)OC(=O)c1c(O3)cccc1.O=CN(C)C.[NH2+]1CC[NH2+]CC1
• Title of publication: Piperazinium <i>fac</i>-tris(salicylato-κ^2^<i>O</i>,<i>O</i>')titanate(IV) dimethylformamide solvate
• Authors of publication: Jia-Lin Ren; Yun-Long Fu; Zhi-Wei Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2228 - m2229
• a: 10.552 ± 0.002 Å
• b: 10.622 ± 0.002 Å
• c: 14.881 ± 0.003 Å
• α: 92.088 ± 0.004°
• β: 104.987 ± 0.003°
• γ: 118.429 ± 0.003°
• Cell volume: 1391.7 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0813
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes