Information card for entry 2208346

Structure parameters

• Chemical name: tert-Butyl isocyanide-1κC-di-μ-carbonyl-2:3κ^4^C-nonacarbonyl- 1κ^3^C,2κ^3^C,3κ^3^C-triangulo-diironosmium
• Formula: C16 H9 Fe2 N O11 Os
• Calculated formula: C16 H9 Fe2 N O11 Os
• SMILES: C(#[N]C(C)(C)C)[Os]1(C#[O])(C#[O])(C#[O])[Fe]23(C#[O])(C#[O])(C#[O])C(=O)[Fe]13(C#[O])(C#[O])(C#[O])C2=O
• Title of publication: <i>tert</i>-Butyl isocyanide-1κ<i>C</i>-di-μ-carbonyl-2:3κ^4^<i>C</i>-nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-diironosmium
• Authors of publication: Tegel, Marcus; Evans, Cameron; Farrugia, Louis J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m475 - m477
• a: 11.6861 ± 0.0002 Å
• b: 11.6142 ± 0.0002 Å
• c: 15.5189 ± 0.0002 Å
• α: 90°
• β: 107.829 ± 0.001°
• γ: 90°
• Cell volume: 2005.14 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0234
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes