Information card for entry 7701136

Structure parameters

• Formula: C21 H18 Fe O
• Calculated formula: C21 H18 Fe O
• 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: 15.3517 ± 0.0015 Å
• b: 7.3645 ± 0.0007 Å
• c: 14.794 ± 0.0014 Å
• α: 90°
• β: 115.885 ± 0.003°
• γ: 90°
• Cell volume: 1504.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No