Information card for entry 7121126

Structure parameters

• Formula: C24 Fe8 Ge12 I4 O24
• Calculated formula: C24 Fe8 Ge12 I4 O24
• SMILES: C(#[O])[Fe]12(C#[O])(C#[O])[Ge]34[Ge]2(I)[Fe]2(C#[O])(C#[O])(C#[O])[Ge]5[Fe]6(C#[O])(C#[O])(C#[O])[Ge]78[I][Ge]8([Fe]3(C#[O])(C#[O])(C#[O])[Ge]6)[Fe]3(C#[O])(C#[O])(C#[O])[Ge]4[Fe]4(C#[O])(C#[O])(C#[O])[Ge]61[I][Ge]26[Fe](C#[O])(C#[O])(C#[O])([Ge]4)[Ge]15[Fe]7(C#[O])(C#[O])(C#[O])[Ge]31I
• Title of publication: Ge₁₂{Fe(CO)₃}₈(μ-I)₄: a germanium-iron cluster with Ge₄, Ge₂ and Ge units.
• Authors of publication: Wolf, Silke; Klopper, Wim; Feldmann, Claus
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1217 - 1220
• a: 11.8483 ± 0.0004 Å
• b: 18.548 ± 0.0007 Å
• c: 12.1901 ± 0.0004 Å
• α: 90°
• β: 110.483 ± 0.003°
• γ: 90°
• Cell volume: 2509.55 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0943
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No