Information card for entry 4066406

Structure parameters

• Formula: C15 H19 B Br2 Fe
• Calculated formula: C15 H19 B Br2 Fe
• SMILES: B([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C)(Br)Br
• Title of publication: Reactivity of [(C5Me5)Fe(C5H4BBr2)] and [(OC)3Mn(C5H4BBr2)] toward Et3SiH: Facile Access to [(OC)3Mn(C5H4BH2)]2and to Boron-Bridged Dinuclear Organometallics†
• Authors of publication: Eckensberger, U. David; Weber, Mitra; Wildt, Julia; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5301
• a: 7.2326 ± 0.0009 Å
• b: 8.662 ± 0.0011 Å
• c: 13.1522 ± 0.0017 Å
• α: 92.874 ± 0.011°
• β: 91.017 ± 0.011°
• γ: 106.655 ± 0.01°
• Cell volume: 787.96 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No