Information card for entry 4312071

Structure parameters

• Formula: C52 H44 N10 O2 Ru2
• Calculated formula: C52 H44 N10 O2 Ru2
• SMILES: [Ru]1234([Ru](N=O)([N](c5ccccc5)=CN1c1ccccc1)([N](=CN2c1ccccc1)c1ccccc1)(N(C=[N]3c1ccccc1)c1ccccc1)[N](=CN4c1ccccc1)c1ccccc1)N=O
• Title of publication: Synthesis and Characterization of Nitrosyl Diruthenium Complexes. Interaction between NO and CO across the Metal-Metal Bond
• Authors of publication: Baocheng Han; Jianguo Shao; Zhongping Ou; Tuan D. Phan; Jing Shen; John L. Bear; Karl M. Kadish
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7741 - 7751
• a: 12.1854 ± 0.0019 Å
• b: 18.997 ± 0.003 Å
• c: 20.24 ± 0.003 Å
• α: 90°
• β: 101.197 ± 0.003°
• γ: 90°
• Cell volume: 4596.1 ± 1.2 ų
• Cell temperature: 219 ± 2 K
• Ambient diffraction temperature: 219 ± 2 K
• Number of distinct elements: 5
• 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: 0.2863
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 0.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No