Information card for entry 4070233

Structure parameters

• Formula: C28 H40 Cl3 N3 O Ru
• Calculated formula: C28 H40 Cl3 N3 O Ru
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C(=[N]([Ru]1(N=O)(Cl)(Cl)Cl)c1c(cccc1C(C)C)C(C)C)C)C
• Title of publication: Preparation, Characterization, and Catalytic Properties of Ruthenium(II) Nitrosyl Complexes with α-Diimine Ligands
• Authors of publication: Xu, Hui-Jun; Lu, Xiang-Yong; Cheng, Yong; Sun, Jia-Feng; Chen, Xue-Tai; Xue, Zi-Ling
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 23
• Pages of publication: 6687
• a: 15.253 ± 0.004 Å
• b: 21.137 ± 0.005 Å
• c: 9.577 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3087.7 ± 1.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No