Information card for entry 2009185

Structure parameters

• Formula: F5 H8 N2 Ti
• Calculated formula: F5 H8 N2 Ti
• SMILES: [Ti](F)(F)(F)(F)[F][Ti](F)(F)(F)(F)[F].[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: Diammonium titanium pentafluoride, (NH~4~)~2~TiF~5~, containing Ti^3+^
• Authors of publication: Dadachov, Mike; Eriksson, Lars
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1739 - 1741
• a: 6.3618 ± 0.0014 Å
• b: 7.5586 ± 0.0012 Å
• c: 11.059 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 531.79 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.737
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No