Information card for entry 7002004

Structure parameters

• Formula: C14 H15 Cl2 N3 O2 Ru
• Calculated formula: C14 H15 Cl2 N3 O2 Ru
• SMILES: C1=2N(C=CN1c1cccc[n]1[Ru]2(C#[O])(C#[O])(Cl)Cl)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: 14.7065 ± 0.0012 Å
• b: 9.6796 ± 0.0007 Å
• c: 12.6558 ± 0.0011 Å
• α: 90°
• β: 115.047 ± 0.001°
• γ: 90°
• Cell volume: 1632.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No