Information card for entry 2022686

Structure parameters

• Chemical name: (1-Bromomercurio-2,3,4,5-tetrabromocyclopentadienyl)(1,2,3,4,5-pentabromocyclopentadienyl)iron(II)
• Formula: C10 Br10 Fe Hg
• Calculated formula: C10 Br10 Fe Hg
• SMILES: [c]12([c]3([c]4([c]5([c]1(Br)[Fe]16782345[c]2([c]1([c]6([c]7([c]82[Hg]Br)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: 8.9784 ± 0.0003 Å
• b: 14.0971 ± 0.0004 Å
• c: 15.8485 ± 0.0004 Å
• α: 90°
• β: 90.689 ± 0.001°
• γ: 90°
• Cell volume: 2005.79 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes