Information card for entry 7007293

Structure parameters

• Formula: C3 H12 Cl5 Fe O9 Ru
• Calculated formula: C3 H12 Cl5 Fe O9 Ru
• SMILES: [Ru](Cl)(Cl)(Cl)(C#[O])(C#[O])C#[O].[Fe](Cl)(Cl)([OH2])([OH2])([OH2])[OH2].O.O
• 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: 11.7975 ± 0.0005 Å
• b: 9.4944 ± 0.0002 Å
• c: 15.1011 ± 0.0006 Å
• α: 90°
• β: 107.635 ± 0.002°
• γ: 90°
• Cell volume: 1611.99 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No