Information card for entry 4077651

Structure parameters

• Formula: C38 H44 B2 Fe2 N4 O4 S2
• Calculated formula: C38 H44 B2 Fe2 N4 O4 S2
• Title of publication: Reactivity of Ferrocenylboranes: Rearrangements versus Electron Transfer Reactions
• Authors of publication: Ding, Li; Fabrizi de Biani, Fabrizia; Bolte, Michael; Zanello, Piero; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 26
• Pages of publication: 5763
• a: 8.284 ± 0.001 Å
• b: 10.362 ± 0.001 Å
• c: 11.887 ± 0.001 Å
• α: 99.4 ± 0.01°
• β: 97.98 ± 0.01°
• γ: 106.12 ± 0.01°
• Cell volume: 948.65 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No