Information card for entry 2214030

Structure parameters

• Chemical name: η^5^-Cyclopentadienyl-η^6^-mesitylenyl-iron(III) hexafluoridophosphate chloroform solvate
• Formula: C15 H18 Cl3 F6 Fe P
• Calculated formula: C15.04 H18.04 Cl3 F6 Fe P
• Title of publication: (η^5^-Cyclopentadienyl)(η^6^-mesitylenyl)iron(II) hexafluorophosphate chloroform solvate
• Authors of publication: Sánchez Perucha, Alejandro; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1897 - m1897
• a: 9.364 ± 0.0011 Å
• b: 9.364 ± 0.0011 Å
• c: 13.3018 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1010.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes