Information card for entry 4083425

Structure parameters

• Chemical name: bis-(bromodimethylstibine-Sb)carbonyl(cyclopentadienyl)iron(II) bromide
• Formula: C10 H17 Br3 Fe O Sb2
• Calculated formula: C10 H17 Br3 Fe O Sb2
• SMILES: [Sb]1(Br)([Br][Sb](Br)([Fe]23451(C#[O])[cH]1[cH]5[cH]4[cH]3[cH]21)(C)C)(C)C
• 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: 7.2336 ± 0.0012 Å
• b: 9.4231 ± 0.0012 Å
• c: 25.906 ± 0.007 Å
• α: 90°
• β: 92.848 ± 0.007°
• γ: 90°
• Cell volume: 1763.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No