Information card for entry 7002002

Structure parameters

• Formula: C14 H19 Cl2 N3 O4 Ru
• Calculated formula: C14 H19 Cl2 N3 O4 Ru
• SMILES: c1cccc2[n]1[Ru](=C1N2C=CN1C(C)(C)C)(C#[O])(C#[O])(Cl)Cl.O.O
• Title of publication: Synthesis, structures and catalytic activities of ruthenium(ii) carbonyl chloride complexes containing pyridine-functionalised N-heterocyclic carbenes
• Authors of publication: Cheng, Yong; Xu, Hui-Jun; Sun, Jia-Feng; Li, Yi-Zhi; Chen, Xue-Tai; Xue, Zi-Ling
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7132
• a: 11.732 ± 0.002 Å
• b: 8.9321 ± 0.0016 Å
• c: 18.799 ± 0.003 Å
• α: 90°
• β: 97.904 ± 0.002°
• γ: 90°
• Cell volume: 1951.3 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No