Information card for entry 7708134

Structure parameters

• Formula: C40 H62 N4 Ru2
• Calculated formula: C40 H62 N4 Ru2
• SMILES: [Ru]12345678([C]9(N(C)C)[C@H]([C@H]%10[C]%11([Ru]%12%13%14%15%16%17%18([c]%19([c]%12([c]%13([c]%18([c]%17%19C)C)C)C)C)[C](C%16[CH]=%11%15)(N(C)C)=[CH]%10%14)N(C)C)[CH]3=[C]5(C4[CH]1=9)N(C)C)[c]1([c]2([c]7([c]8([c]61C)C)C)C)C.[Ru]12345678([C]9(N(C)C)[C@@H]([C@@H]%10[C]%11([Ru]%12%13%14%15%16%17%18([c]%19([c]%12([c]%13([c]%18([c]%17%19C)C)C)C)C)[C](C%16[CH]=%11%15)(N(C)C)=[CH]%10%14)N(C)C)[CH]3=[C]5(C4[CH]1=9)N(C)C)[c]1([c]2([c]7([c]8([c]61C)C)C)C)C
• Title of publication: Synthesis, structures, and reactivity of isomers of [RuCp*(1,4-(Me₂N)₂C₆H₄)]₂.
• Authors of publication: Longhi, Elena; Risko, Chad; Bacsa, John; Khrustalev, Victor; Rigin, Sergei; Moudgil, Karttikay; Timofeeva, Tatiana V.; Marder, Seth R.; Barlow, Stephen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 37
• Pages of publication: 13020 - 13030
• a: 10.6226 ± 0.0001 Å
• b: 12.2061 ± 0.0002 Å
• c: 15.1648 ± 0.0001 Å
• α: 89.304 ± 0.001°
• β: 79.584 ± 0.001°
• γ: 72.407 ± 0.001°
• Cell volume: 1841.53 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0312
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0275
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No