Information card for entry 2227985

Structure parameters

• Chemical name: (η^5^-Cyclopentadienyl)[(1,2,3,4,4a,12a-η)-naphtho[2,3- <i>b</i>][1,4]benzodioxine]iron(II) hexafluoridophosphate
• Formula: C21 H15 F6 Fe O2 P
• Calculated formula: C21 H15 F6 Fe O2 P
• Title of publication: (η^5^-Cyclopentadienyl)[(1,2,3,4,4a,12a-η)-naphtho[2,3-<i>b</i>][1,4]benzodioxine]iron(II) hexafluoridophosphate
• Authors of publication: Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1154
• a: 15.3216 ± 0.0013 Å
• b: 8.9296 ± 0.0008 Å
• c: 14.6559 ± 0.0012 Å
• α: 90°
• β: 106.417 ± 0.001°
• γ: 90°
• Cell volume: 1923.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes