Information card for entry 2016266

Structure parameters

• Common name: calcium hexafluoroiridate (IV)
• Chemical name: calcium hexafluoroiridate(IV) dihydrate
• Formula: Ca F6 H4 Ir O2
• Calculated formula: Ca F6 H4 Ir O2
• SMILES: [Ir](F)(F)(F)([F-])([F-])F.[Ca+2].O.O
• Title of publication: Three hexafluoridoiridates(IV), Ca[IrF~6~]·2H~2~O, Sr[IrF~6~]·2H~2~O and Ba[IrF~6~]
• Authors of publication: Smolentsev, Anton I.; Gubanov, Alexander I.; Danilenko, Andrey M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: i99 - i101
• a: 5.9055 ± 0.0002 Å
• b: 9.5369 ± 0.0003 Å
• c: 11.014 ± 0.0003 Å
• α: 90°
• β: 99.262 ± 0.001°
• γ: 90°
• Cell volume: 612.22 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0226
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes