Information card for entry 7001037

Structure parameters

• Formula: C34 H28 B2 Fe
• Calculated formula: C34 H28 B2 Fe
• SMILES: B([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2(B(c3ccccc3)c3ccccc3)[cH]1[cH]6[cH]7[cH]82)(c1ccccc1)c1ccccc1
• 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: 18.425 ± 0.004 Å
• b: 30.69 ± 0.006 Å
• c: 9.297 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5257.1 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No