Information card for entry 4110184

Structure parameters

• Formula: C21 H23 B4 Cl F8 N16 O2 Ru2
• Calculated formula: C21 H23 B4 Cl F8 N16 O2 Ru2
• SMILES: [Ru]123([Cl][Ru]45(N=O)([n]6n(ccc6)[BH](n6[n]4ccc6)n4[n]5ccc4)[n]4n3ccc4)(N=O)[n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 11.3955 ± 0.0007 Å
• b: 30.7747 ± 0.0014 Å
• c: 11.7111 ± 0.0007 Å
• α: 90°
• β: 115.888 ± 0.0007°
• γ: 90°
• Cell volume: 3694.9 ± 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: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.2543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No