Information card for entry 2201795

Structure parameters

• Chemical name: Bis(η^5^-pentamethylcyclopentadienyl)[bis-η^5^-syn- [2.2](4,7)indenophanyl]diruthenium(II)
• Formula: C42 H48 Ru2
• Calculated formula: C42 H48 Ru2
• SMILES: [Ru]([c]12C)([c]13C)([c]21C)([c]12C)([c]23C)([cH]12)([cH]13)([cH]21)([c]124)[c]23c(ccc14)CCc(ccc2CC1)[c]13[Ru]([c]124)([cH]31)([cH]12)([cH]24)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C
• Title of publication: Bis(η^5^-pentamethylcyclopentadienyl)[bis-η^5^-<i>syn</i>-[2.2](4,7)indenophanyl]diruthenium(II)
• Authors of publication: Jones, Peter G.; Hopf, Henning; Hartig, Thorsten; Döring, Detlev
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m85 - m86
• a: 8.647 ± 0.002 Å
• b: 13.604 ± 0.004 Å
• c: 28.959 ± 0.008 Å
• α: 90°
• β: 92.41 ± 0.02°
• γ: 90°
• Cell volume: 3403.5 ± 1.6 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 3
• 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: 0.0365
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes