Information card for entry 7010178

Structure parameters

• Formula: C32 H35 B2 F8 Fe N O2 Ru
• Calculated formula: C32 H35 B2 F8 Fe N O2 Ru
• Title of publication: Azulenylium and guaiazulenylium cations as novel accepting moieties in extended sesquifulvalene type D‒π‒A NLO chromophores †
• Authors of publication: Farrell, Tony; Meyer-Friedrichsen, Timo; Malessa, Maik; Haase, Detlev; Saak, Wolfgang; Asselberghs, Inge; Wostyn, Kurt; Clays, Koen; Persoons, André; Heck, Jürgen; Manning, Anthony R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 29
• a: 15.508 ± 0.0007 Å
• b: 13.3829 ± 0.0008 Å
• c: 16.0531 ± 0.0007 Å
• α: 90°
• β: 96.941 ± 0.005°
• γ: 90°
• Cell volume: 3307.3 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• 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: 0.0881
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No