Information card for entry 2207700

Structure parameters

• Chemical name: (Di-tert-butylphosphino)cobaltocenium hexafluorophosphate
• Formula: C18 H27 Co F6 P2
• Calculated formula: C18 H27 Co F6 P2
• SMILES: [Co]12345678([cH]9[cH]1[cH]2[c]3([cH]49)P(C(C)(C)C)C(C)(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: (Di-<i>tert</i>-butylphosphino)cobaltocenium hexafluorophosphate
• Authors of publication: Ren, Yong; Yu, Guang-Ao; Liu, Sheng-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2714 - m2715
• a: 12.2603 ± 0.0011 Å
• b: 15.2255 ± 0.0012 Å
• c: 12.323 ± 0.0011 Å
• α: 90°
• β: 108.462 ± 0.0011°
• γ: 90°
• Cell volume: 2181.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes