Information card for entry 4061022

Structure parameters

• Formula: C22 H24 B Br Fe2 O2
• Calculated formula: C22 H24 B Br Fe2 O2
• SMILES: [Fe]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(B([c]12[cH]3[Fe]4567891([cH]3[cH]5[cH]24)[cH]1[cH]8[cH]7[cH]6[cH]91)Br)(C#[O])C#[O]
• Title of publication: Preparation and Structural Characterization of Transition Metal Complexes Featuring the Ferrocenyl(bromo)boryl Ligand
• Authors of publication: Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Seeler, Fabian
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 5545 - 5549
• a: 10.944 ± 0.002 Å
• b: 13.612 ± 0.003 Å
• c: 14.781 ± 0.003 Å
• α: 85.535 ± 0.004°
• β: 84.145 ± 0.004°
• γ: 84.52 ± 0.004°
• Cell volume: 2175.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No