Information card for entry 2012735

Structure parameters

• Chemical name: (η^5^-[2](4,7)indeno[2]paracyclophanyl)(η^5^-pentamethylcyclopentadienyl) ruthenium(II)
• Formula: C29 H32 Ru
• Calculated formula: C29 H32 Ru
• SMILES: [Ru]([c]12C)([c]13C)([c]21C)([c]12C)([c]23C)([cH]12)([cH]13)([cH]21)([c]12c(ccc14)CCc(cc6)ccc6CC4)[c]123
• Title of publication: Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)
• Authors of publication: Jones, Peter G.; Hartig, Thorsten; Hopf, Henning
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m347 - m350
• a: 11.648 ± 0.002 Å
• b: 14.757 ± 0.003 Å
• c: 13.798 ± 0.003 Å
• α: 90°
• β: 103.134 ± 0.015°
• γ: 90°
• Cell volume: 2309.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes