Information card for entry 4083423

Structure parameters

• Chemical name: (bromodimethylstibine-Sb)dicarbonyl(cyclopentadienyl)iron(II) tetrafluoroborate
• Formula: C9 H11 B Br F4 Fe O2 Sb
• Calculated formula: C9 H11 B Br F4 Fe O2 Sb
• SMILES: [Sb](Br)([Fe]1234(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Bromostibine Complexes of Iron(II): Hypervalency and Reactivity
• Authors of publication: Benjamin, Sophie L.; Levason, William; Light, Mark E.; Reid, Gillian; Rogers, Scott M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2693
• a: 8.8658 ± 0.0011 Å
• b: 8.9344 ± 0.0012 Å
• c: 9.3885 ± 0.0011 Å
• α: 107.836 ± 0.008°
• β: 90.427 ± 0.006°
• γ: 93.806 ± 0.007°
• Cell volume: 706.06 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No