Information card for entry 7007284

Structure parameters

• Formula: C6 H12 Cl6 Fe O12 Ru2
• Calculated formula: C6 H12 Cl6 Fe O12 Ru2
• SMILES: C(#[O])[Ru](Cl)(C#[O])(C#[O])(Cl)Cl.[OH2][Fe]([OH2])([OH2])([OH2])([OH2])[OH2].C(#[O])[Ru](C#[O])(C#[O])(Cl)(Cl)Cl
• Title of publication: The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.
• Authors of publication: Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 26
• Pages of publication: 3212 - 3220
• a: 6.2958 ± 0.0006 Å
• b: 6.4156 ± 0.0004 Å
• c: 13.9122 ± 0.0014 Å
• α: 87.513 ± 0.005°
• β: 77.295 ± 0.004°
• γ: 80.322 ± 0.006°
• Cell volume: 540.36 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No