Information card for entry 4323782

Structure parameters

• Chemical name: mer-Tris(carbonyl)iridium(III)fluorosulfate
• Formula: C3 F3 Ir O12 S3
• Calculated formula: C3 F3 Ir O12 S3
• Title of publication: Synthesis, Molecular Structure, and Vibrational Spectra of mer-Tris(carbonyl)iridium(III) Fluorosulfate, mer-Ir(CO)~3(SO~3F)~3
• Authors of publication: Changqing Wang; Andrew R. Lewis; Raymond J. Batchelor; Frederick W. B. Einstein; Helge Willner; Friedhelm Aubke
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 1279 - 1285
• a: 8.476 ± 0.001 Å
• b: 12.868 ± 0.002 Å
• c: 12.588 ± 0.001 Å
• α: 90°
• β: 108.24 ± 0.01°
• γ: 90°
• Cell volume: 1304 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.024
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No