Information card for entry 7001039

Structure parameters

• Formula: C22 H19 B Fe
• Calculated formula: C22 H19 B Fe
• SMILES: [Fe]12345678([c]9(B(c%10ccccc%10)c%10ccccc%10)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 11.2142 ± 0.0007 Å
• b: 11.2142 ± 0.0007 Å
• c: 13.555 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1704.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No