Information card for entry 4077650

Structure parameters

• Formula: C36.5 H37 B2 Cl3 Fe2 N4 O2
• Calculated formula: C36.5 H37 B2 Cl3 Fe2 N4 O2
• 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: 9.017 ± 0.001 Å
• b: 14.06 ± 0.002 Å
• c: 15.639 ± 0.002 Å
• α: 94.09 ± 0.01°
• β: 104.65 ± 0.01°
• γ: 105.13 ± 0.01°
• Cell volume: 1831.6 ± 0.4 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: 0.1165
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No