Information card for entry 1562429

Structure parameters

• Chemical name: (Cobaltoceniumylamido)pyridinium hexafluoridophosphate
• Formula: C15 H14 Co F6 N2 P
• Calculated formula: C15 H14 Co F6 N2 P
• SMILES: [Co]1234567([cH]8[cH]4[cH]3[cH]2[cH]18)[CH]1=[CH]5[CH]6=[CH]7C1=N[n+]1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: (Cobaltoceniumylamido)pyridinium hexafluoridophosphate
• Authors of publication: Menia, Daniel; Höfer, Thomas; Wurst, Klaus; Bildstein, Benno
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 5
• a: 9.961 ± 0.0008 Å
• b: 8.9243 ± 0.0007 Å
• c: 9.7204 ± 0.0007 Å
• α: 90°
• β: 106.943 ± 0.003°
• γ: 90°
• Cell volume: 826.59 ± 0.11 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes