Information card for entry 4126975

Structure parameters

• Formula: C25 H29 B3 Cl F4 N17 Ru2
• Calculated formula: C25 H29 B3 Cl F4 N17 Ru2
• SMILES: [Ru]123(Cl)(=[N]=[Ru]45([n]6n(ccc6)[BH](n6[n]4ccc6)n4[n]5ccc4)([n]4n3ccc4)[N]#CC)[n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1.[B](F)(F)(F)[F-].N#CC
• Title of publication: Nitrite Reduction Cycle on a Dinuclear Ruthenium Complex Producing Ammonia.
• Authors of publication: Arikawa, Yasuhiro; Otsubo, Yuji; Fujino, Hiroki; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 8.5123 ± 0.0015 Å
• b: 26.917 ± 0.005 Å
• c: 14.967 ± 0.003 Å
• α: 90°
• β: 91.317 ± 0.002°
• γ: 90°
• Cell volume: 3428.4 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No