Information card for entry 7007291

Structure parameters

• Formula: C6 H6 Cl6 Fe O9 Ru2
• Calculated formula: C6 H6 Cl6 Fe O9 Ru2
• SMILES: [Ru]1([Cl][Fe]2([Cl]1)([Cl][Ru](C#[O])([Cl]2)(C#[O])(Cl)C#[O])([OH2])[OH2])(C#[O])(C#[O])(Cl)C#[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: 6.91 ± 0.0002 Å
• b: 11.773 ± 0.0005 Å
• c: 12.556 ± 0.0005 Å
• α: 103.407 ± 0.002°
• β: 101.573 ± 0.002°
• γ: 95.605 ± 0.002°
• Cell volume: 962.21 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No