Information card for entry 7007289

Structure parameters

• Formula: C10 H12 Cl6 Fe O8 Ru2
• Calculated formula: C10 H12 Cl6 Fe O8 Ru2
• SMILES: C(#[O])[Ru]1(C#[O])([Cl][Fe]2([OH]CC)([Cl]1)([OH]CC)[Cl][Ru](C#[O])(C#[O])(C#[O])([Cl]2)Cl)(C#[O])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: 9.227 ± 0.0007 Å
• b: 10.9769 ± 0.0006 Å
• c: 11.0272 ± 0.0008 Å
• α: 90°
• β: 96.796 ± 0.004°
• γ: 90°
• Cell volume: 1109.03 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No