Information card for entry 2222877

Structure parameters

• Chemical name: (η^5^-Cyclopentadienyl)(η^6^-1,2-dipyrrolidin-1-ylbenzene)iron(II) hexafluoridophosphate
• Formula: C19 H25 F6 Fe N2 P
• Calculated formula: C19 H25 F6 Fe N2 P
• SMILES: [Fe]123456789([c]%10([c]1(N1CCCC1)[cH]2[cH]3[cH]4[cH]5%10)N1CCCC1)[cH]1[cH]6[cH]7[cH]8[cH]91.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: (η^5^-Cyclopentadienyl)(η^6^-1,2-dipyrrolidin-1-ylbenzene)iron(II) hexafluoridophosphate
• Authors of publication: Jenkins, Hilary A.; Masuda, Jason D.; Piórko, Adam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m966
• a: 9.7303 ± 0.0006 Å
• b: 10.6021 ± 0.0006 Å
• c: 10.6548 ± 0.0006 Å
• α: 93.845 ± 0.001°
• β: 113.259 ± 0.001°
• γ: 95.822 ± 0.001°
• Cell volume: 997.7 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes