Information card for entry 4110185

Structure parameters

• Formula: C23 H24 B2 Br Cl7 N14 O Ru2
• Calculated formula: C23 H23 B2 Br Cl7 N14 O Ru2
• SMILES: [Ru]1234([Cl][Ru]56(O1)([n]1n(ccc1)[BH](n1[n]5ccc1)n1[n]6ccc1)[n]1n4cc(Br)c1)[n]1n(ccc1)[BH](n1[n]2ccc1)n1[n]3ccc1.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase
• Authors of publication: Yasuhiro Arikawa; Taiki Asayama; Yusuke Moriguchi; Shoko Agari; Masayoshi Onishi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14160 - 14161
• a: 15.8308 ± 0.0011 Å
• b: 16.2176 ± 0.0009 Å
• c: 16.1017 ± 0.0011 Å
• α: 90°
• β: 107.992 ± 0.0009°
• γ: 90°
• Cell volume: 3931.8 ± 0.4 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No