Information card for entry 7007288

Structure parameters

• Formula: C3 H2 Cl2 O4 Ru
• Calculated formula: C3 H2 Cl2 O4 Ru
• SMILES: [Ru](Cl)(Cl)([OH2])(C#[O])(C#[O])C#[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: 6.2164 ± 0.0003 Å
• b: 10.2373 ± 0.0005 Å
• c: 11.7124 ± 0.0005 Å
• α: 90°
• β: 97.922 ± 0.003°
• γ: 90°
• Cell volume: 738.25 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No