Information card for entry 4304668

Structure parameters

• Formula: F44 K16 O16 P4 Ti10
• Calculated formula: F44 K16 O16 P4 Ti10
• SMILES: F[Ti](F)(OP1(=[O][Ti]2(OP(=[O][Ti](F)(F)(O1)(F)F)(O[Ti]1(F)(OP(=[O][Ti](F)(F)(OP(=[O][Ti](F)(F)(F)(F)F)(O1)O[Ti](F)(F)(F)(F)F)(F)F)(O2)O[Ti](F)(F)(F)(F)F)(F)F)O[Ti](F)(F)(F)(F)F)(F)(F)F)O[Ti](F)(F)(F)(F)F)(F)(F)F.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
• Title of publication: Oxyfluorotitanophosphate Cluster [Ti10P4O16F44]16-: Synthesis and Characterization of K16[Ti10P4O16F44]
• Authors of publication: Sihai Yang; Guobao Li; Alexander J. Blake; Junliang Sun; Ming Xiong; Fuhui Liao; Jianhua Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1414 - 1416
• a: 10.295 ± 0.002 Å
• b: 10.848 ± 0.002 Å
• c: 24.727 ± 0.005 Å
• α: 90°
• β: 98.36 ± 0.03°
• γ: 90°
• Cell volume: 2732.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1108
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No