Information card for entry 7053167

Structure parameters

• Formula: C15 H23 N Ru
• Calculated formula: C15 H23 N Ru
• SMILES: [Ru]123456([N]#CC)([CH2]=[CH]1[CH]2=[CH]3C)[CH]1=[CH]4CC[CH]5=[CH]6CC1
• Title of publication: Cross-dimerisation between different cisoid- and transoid-1,3-dienes at a ruthenium(0) centre
• Authors of publication: Hirano, Masafumi; Inoue, Haruka; Okamoto, Takuya; Ueda, Takao; Komine, Nobuyuki; Komiya, Sanshiro; Wang, Xian-qi; Bennett, Martin A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 11
• Pages of publication: 3433
• a: 12.7069 ± 0.0013 Å
• b: 11.0731 ± 0.0008 Å
• c: 20.3584 ± 0.0016 Å
• α: 90°
• β: 101.572 ± 0.005°
• γ: 90°
• Cell volume: 2806.3 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.2931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No