Information card for entry 4346345

Structure parameters

• Formula: C57 H55 N8 Ru2
• Calculated formula: C57 H55 N8 Ru2
• SMILES: [Ru]1234([Ru](N(c5[n]1cccc5)c1ccccc1)(N(c1[n]2cccc1)c1ccccc1)(N(c1[n]3cccc1)c1ccccc1)N(c1[n]4cccc1)c1ccccc1)C#CC(=C(C)C)C#C.CCCCC
• Title of publication: Synthesis and Electronic Structure of Ru2(Xap)4(Y-gem-DEE) Type Compounds: Effect of Cross-Conjugation.
• Authors of publication: Forrest, William P.; Choudhuri, Mohommad M. R.; Kilyanek, Stefan M.; Natoli, Sean N.; Prentice, Boone M.; Fanwick, Phillip E.; Crutchley, Robert J.; Ren, Tong
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7645 - 7652
• a: 9.9793 ± 0.0017 Å
• b: 13.587 ± 0.002 Å
• c: 18.825 ± 0.003 Å
• α: 100.918 ± 0.01°
• β: 93.269 ± 0.014°
• γ: 93.815 ± 0.013°
• Cell volume: 2494.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1177
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2263
• Weighted residual factors for all reflections included in the refinement: 0.2579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No