Information card for entry 2022685

Structure parameters

• Chemical name: Bis(1,2,3,4-tetrabromocyclopentadienyl)iron(II)
• Formula: C10 H2 Br8 Fe
• Calculated formula: C10 H2 Br8 Fe
• SMILES: [c]12([c]3([c]4([c]5([cH]1[Fe]16782345[c]2([c]1([c]6([c]7([cH]82)Br)Br)Br)Br)Br)Br)Br)Br
• Title of publication: Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]
• Authors of publication: Blockhaus, Tobias; Sünkel, Karlheinz
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 11
• a: 6.9395 ± 0.0002 Å
• b: 7.0548 ± 0.0002 Å
• c: 8.9271 ± 0.0003 Å
• α: 67.577 ± 0.001°
• β: 76.16 ± 0.001°
• γ: 86.461 ± 0.001°
• Cell volume: 392.06 ± 0.02 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes