Information card for entry 4126974

Structure parameters

• Formula: C27 H41 B3 Cl F4 N15 O3 Ru2
• Calculated formula: C27 H41 B3 Cl F4 N15 O3 Ru2
• SMILES: [Ru]123(Cl)(=[N]=[Ru]45([OH2])([n]6n(ccc6)[BH](n6[n]4ccc6)n4[n]5ccc4)[n]4n3ccc4)[n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1.[B](F)(F)(F)[F-].OC(C)C.OC(C)C
• 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: 10.964 ± 0.003 Å
• b: 12.75 ± 0.004 Å
• c: 14.685 ± 0.004 Å
• α: 80.982 ± 0.011°
• β: 76.4919 ± 0.001°
• γ: 83.156 ± 0.011°
• Cell volume: 1964.1 ± 1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No