Information card for entry 1515601

Structure parameters

• Formula: Ca2 F H7 Ir O7
• Calculated formula: Ca2 F H7 Ir O7
• SMILES: [Ir](O)(O)(O)(O)(O)O.[Ca+2].[F-].[Ca+2].[OH-]
• Title of publication: Structural variety in iridate oxides and hydroxides from hydrothermal synthesis
• Authors of publication: Sardar, Kripasindhu; Fisher, Janet; Thompsett, David; Lees, Martin R.; Clarkson, Guy J.; Sloan, Jeremy; Kashtiban, Reza J.; Walton, Richard I.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 1573
• a: 10.6331 ± 0.0004 Å
• b: 10.6331 ± 0.0004 Å
• c: 5.6597 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 639.9 ± 0.05 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 5
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m :2
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No