Information card for entry 4114589

Structure parameters

• Formula: C52 H49 B F20 N2 Ru2
• Calculated formula: C52 H49 B F20 N2 Ru2
• SMILES: [RuH]1234567([Ru]89%10%11%12%13([N]1(=[C]9([N]28C(C)C)C)C(C)C)([c]1([c]%13([c]%12([c]%11([c]%101C)C)C)C)C)[H]7)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Novel Coordinatively Unsaturated Bimetallic Complexes, [(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(η5-C5Me5)]+: A Bridging Amidinate Ligand Perpendicular to the Metal-Metal Axis Effectively Stabilizes the Highly Reactive Cationic Diruthenium Species
• Authors of publication: Hideo Kondo; Kouki Matsubara; Hideo Nagashima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 534 - 535
• a: 14.1154 ± 0.0003 Å
• b: 15.3888 ± 0.0003 Å
• c: 23.4856 ± 0.0007 Å
• α: 90°
• β: 93.466 ± 0.0009°
• γ: 90°
• Cell volume: 5092.2 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No