Information card for entry 2010125

Structure parameters

• Formula: C16 H12 F6 Fe N O2 P
• Calculated formula: C16 H12 F6 Fe N O2 P
• Title of publication: [(5a,6,7,8,9,9a-η^6^)-[1,4]Benzodioxino[2,3-<i>b</i>]pyridine](η^5^-cyclopentadienyl)iron(II) hexafluorophosphate
• Authors of publication: Piórko, A.; Christie, S.; Zaworotko, M.J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 1544 - 1545
• a: 8.053 ± 0.003 Å
• b: 13.955 ± 0.002 Å
• c: 14.843 ± 0.006 Å
• α: 90°
• β: 97.12 ± 0.02°
• γ: 90°
• Cell volume: 1655.2 ± 0.9 ų
• Cell temperature: 290 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 2.42
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No