Information card for entry 2218740

Structure parameters

• Chemical name: 1,1'-Bis(diisobutylphosphino)cobaltocenium hexafluorophosphate
• Formula: C26 H44 Co F6 P3
• Calculated formula: C26 H44 Co F6 P3
• SMILES: [Co]12345678([c]9([cH]4[cH]3[cH]2[cH]19)P(CC(C)C)CC(C)C)[c]1([cH]5[cH]6[cH]7[cH]81)P(CC(C)C)CC(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 1,1'-Bis(diisobutylphosphino)cobaltocenium hexafluoridophosphate
• Authors of publication: Hou, Jian-Guo; Li, Ding-Biao; Qiu, Man-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m927
• a: 16.7733 ± 0.0003 Å
• b: 10.466 ± 0.0002 Å
• c: 18.5105 ± 0.0004 Å
• α: 90°
• β: 108.288 ± 0.001°
• γ: 90°
• Cell volume: 3085.38 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1127
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes