Information card for entry 7714273

Structure parameters

• Formula: C38 H67 N Ru2
• Calculated formula: C38 H67 N Ru2
• SMILES: [Ru]1234567([Ru]89%10%11%12([N]%131=[CH]8CCC%13)([c]1([cH]9[c]%10([c]%11([cH]%121)C(C)(C)C)C(C)(C)C)C(C)(C)C)([H]6)[H]7)[c]1([cH]5[c]4([c]3([cH]21)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of Diruthenium μ-η4-α-Diimine Complex via Dehydrogenative Coupling of Cyclic Amines and Its Role in Dehydrogenative Oxidation of Pyrrolidine
• Authors of publication: Takao, Toshihiro; Shimogawa, Ryuichi; Fujita, Ryosuke; Egawa, Shu
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.7174 ± 0.0004 Å
• b: 11.7914 ± 0.0006 Å
• c: 15.5572 ± 0.0006 Å
• α: 106.892 ± 0.002°
• β: 90.144 ± 0.001°
• γ: 100.581 ± 0.002°
• Cell volume: 1845.93 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No