Information card for entry 2213663

Structure parameters

• Chemical name: Decamethylferrocenium hexafluorophosphate
• Formula: C20 H30 F6 Fe P
• Calculated formula: C20 H30 F6 Fe P
• SMILES: [c]12([c]3([Fe]4567891([c]([c]24C)([c]37C)C)[c]1([c]5([c]8([c]9([c]61C)C)C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Decamethylferrocenium hexafluorophosphate
• Authors of publication: Sánchez Perucha, Alejandro; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1703 - m1703
• a: 14.186 ± 0.002 Å
• b: 8.9579 ± 0.0011 Å
• c: 8.9902 ± 0.0013 Å
• α: 90°
• β: 110.277 ± 0.013°
• γ: 90°
• Cell volume: 1071.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes