Information card for entry 7001040

Structure parameters

• Formula: C78 H94 B2 Fe3 Li2 O10
• Calculated formula: C78 H94 B2 Fe3 Li2 O10
• Title of publication: Electronic communication in oligonuclear ferrocene complexes with anionic four-coordinate boron bridges
• Authors of publication: Kaufmann, Linda; Breunig, Jens-Michael; Vitze, Hannes; Schödel, Frauke; Nowik, Israel; Pichlmaier, Markus; Bolte, Michael; Lerner, Hans-Wolfram; Winter, Rainer F.; Herber, Rolfe H.; Wagner, Matthias
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 2940 - 2950
• a: 14.9703 ± 0.001 Å
• b: 10.3522 ± 0.0006 Å
• c: 22.936 ± 0.0018 Å
• α: 90°
• β: 105.526 ± 0.005°
• γ: 90°
• Cell volume: 3424.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No