Information card for entry 2010347

Structure parameters

• Formula: C18 H15 F6 Fe P S2
• Calculated formula: C18 H15 F6 Fe P S2
• Title of publication: (η^5^-Cyclopentadienyl)[(1,2,3,4,4a,10a-η^6^)-2-methylthianthrene]iron(II) hexafluorophosphate
• Authors of publication: Christie, Sean; Piórko, Adam; Zaworotko, Michael J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1868 - 1870
• a: 9.7224 ± 0.0016 Å
• b: 11.335 ± 0.003 Å
• c: 18.0256 ± 0.0015 Å
• α: 90°
• β: 102.081 ± 0.011°
• γ: 90°
• Cell volume: 1942.5 ± 0.6 ų
• Cell temperature: 290 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for significantly intense reflections: 4.67
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No