Information card for entry 4068008

Structure parameters

• Formula: C21 H19 B2 Co F8 Fe N O
• Calculated formula: C21 H19 B2 Co F8 Fe N O
• Title of publication: Amide-Linked Heterobi- and Heterotermetallocenes with Very Low HOMO‒LUMO Gaps
• Authors of publication: Huesmann, Hannah; Förster, Christoph; Siebler, Daniel; Gasi, Teuta; Heinze, Katja
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 413
• a: 15.14 ± 0.002 Å
• b: 15.14 ± 0.002 Å
• c: 9.62 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2205.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 106
• Hermann-Mauguin space group symbol: P 42 b c
• Hall space group symbol: P 4c -2ab
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No