Information card for entry 2208739

Structure parameters

• Chemical name: Undecacarbonyl(pyridine-κN)-tetrahedro-tetrairidium(4 Ir—Ir)
• Formula: C16 H5 Ir4 N O11
• Calculated formula: C16 H5 Ir4 N O11
• SMILES: C(#[O])[Ir]12(C#[O])([n]3ccccc3)[Ir]3(C#[O])(C#[O])(C#[O])[Ir]1(C#[O])(C#[O])(C#[O])[Ir]23(C#[O])(C#[O])C#[O]
• Title of publication: Undecacarbonyl(pyridine-κ<i>N</i>)-<i>tetrahedro</i>-tetrairidium(4Ir—Ir)
• Authors of publication: Alvaro J. Pardey; Manoa A. Moreno; Matthias Lutz; Matti Haukka; Reinaldo Atencio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m838 - m840
• a: 8.5042 ± 0.0001 Å
• b: 13.1544 ± 0.0002 Å
• c: 19.8188 ± 0.0004 Å
• α: 90°
• β: 101.977 ± 0.0007°
• γ: 90°
• Cell volume: 2168.82 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes