Information card for entry 7002005

Structure parameters

• Formula: C15 H17 Cl2 N3 O2 Ru
• Calculated formula: C15 H17 Cl2 N3 O2 Ru
• SMILES: c1cccc2CN3C=CN(C3=[Ru](C#[O])(C#[O])(Cl)(Cl)[n]12)CCCC
• 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: 7.7333 ± 0.0016 Å
• b: 17.937 ± 0.004 Å
• c: 12.653 ± 0.003 Å
• α: 90°
• β: 93.69 ± 0.003°
• γ: 90°
• Cell volume: 1751.5 ± 0.7 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: 0.0567
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No