Information card for entry 4070232

Structure parameters

• Formula: C26 H38 Cl3 N5 O3 Ru
• Calculated formula: C26 H38 Cl3 N5 O3 Ru
• SMILES: c1(c(cccc1C)C)[N]1=C(C(C)=[N](c2c(cccc2C)C)[Ru]1(Cl)(Cl)(Cl)N=O)C.CN(C)C=O.CN(C)C=O
• 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: 12.41 ± 0.007 Å
• b: 17.553 ± 0.01 Å
• c: 14.192 ± 0.008 Å
• α: 90°
• β: 91.861 ± 0.009°
• γ: 90°
• Cell volume: 3090 ± 3 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: 0.073
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No