Information card for entry 4083424

Structure parameters

• Chemical name: (bromodimethylstibine)dicarbonyl(cyclopentadienyl)iron(II) trifluoromethanesulfonate
• Formula: C10 H11 Br F3 Fe O5 S Sb
• Calculated formula: C10 H11 Br F3 Fe O5 S Sb
• 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: 10.3722 ± 0.0006 Å
• b: 13.6529 ± 0.0008 Å
• c: 11.6978 ± 0.0007 Å
• α: 90°
• β: 90.102 ± 0.004°
• γ: 90°
• Cell volume: 1656.53 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No