Information card for entry 7701135

Structure parameters

• Formula: C21 H18 Fe
• Calculated formula: C21 H18 Fe
• 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: 9.662 ± 0.005 Å
• b: 10.031 ± 0.005 Å
• c: 15.39 ± 0.005 Å
• α: 90°
• β: 94.773 ± 0.005°
• γ: 90°
• Cell volume: 1486.4 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0283
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No