Information card for entry 7007292

Structure parameters

• Formula: C6 H4 Cl6 Fe O8 Ru2
• Calculated formula: C6 H4 Cl6 Fe O8 Ru2
• SMILES: C(#[O])[Ru]1(C#[O])(C#[O])([Cl][Fe]2([OH2])([OH2])([Cl]1)[Cl][Ru](C#[O])(C#[O])(C#[O])([Cl]2)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: 10.1193 ± 0.0002 Å
• b: 6.4008 ± 0.0001 Å
• c: 27.7787 ± 0.0008 Å
• α: 90°
• β: 95.339 ± 0.0009°
• γ: 90°
• Cell volume: 1791.47 ± 0.07 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No