Information card for entry 2208347

Structure parameters

• Chemical name: Bis(tert-butyl isocyanide)-1κ^2^C-di-μ-carbonyl-2:3κ^4^C-octacarbonyl- 1κ^2^C,2κ^3^C,3κ^3^C-triangulo-diironosmium
• Formula: C20 H18 Fe2 N2 O10 Os
• Calculated formula: C20 H18 Fe2 N2 O10 Os
• SMILES: [Os]1([Fe]23([Fe]1(C2=O)(C#[O])(C#[O])(C#[O])C3=O)(C#[O])(C#[O])C#[O])(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)(C#[O])C#[O]
• Title of publication: Bis(<i>tert</i>-butyl isocyanide)-1κ^2^<i>C</i>-di-μ-carbonyl-2:3κ^4^<i>C</i>-octacarbonyl-1κ^2^<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: m478 - m479
• a: 11.6903 ± 0.0002 Å
• b: 12.4357 ± 0.0002 Å
• c: 17.6041 ± 0.0003 Å
• α: 90°
• β: 91.753 ± 0.001°
• γ: 90°
• Cell volume: 2558.03 ± 0.07 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0421
• 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