Information card for entry 7701137

Structure parameters

• Formula: C30 H24 Fe2
• Calculated formula: C30 H24 Fe2
• Title of publication: Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.
• Authors of publication: Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 38
• Pages of publication: 14418 - 14432
• a: 9.6644 ± 0.0016 Å
• b: 10.7292 ± 0.0016 Å
• c: 10.9942 ± 0.0018 Å
• α: 90°
• β: 110.625 ± 0.018°
• γ: 90°
• Cell volume: 1066.9 ± 0.3 ų
• Cell temperature: 117 ± 0.1 K
• Ambient diffraction temperature: 117 ± 0.1 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: 0.0852
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No