Information card for entry 7016028

Structure parameters

• Formula: C18 H23 Fe N
• Calculated formula: C18 H23 Fe N
• Title of publication: Unusual carbamate-directed CH-activation at an annulated ferrocenophane framework.
• Authors of publication: Voss, Tanja; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 26
• Pages of publication: 6984 - 6991
• a: 10.5831 ± 0.0002 Å
• b: 12.5351 ± 0.0002 Å
• c: 11.8169 ± 0.0003 Å
• α: 90°
• β: 91.632 ± 0.001°
• γ: 90°
• Cell volume: 1567 ± 0.06 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No