Information card for entry 2208139

Structure parameters

• Chemical name: Chloro[(di-tert-butylphosphino)cobaltocenium-κP]gold(I) hexafluorophosphate
• Formula: C18 H27 Au Cl Co F6 P2
• Calculated formula: C18 H27 Au Cl Co F6 P2
• SMILES: [Au](Cl)[P]([c]12[cH]3[cH]4[cH]5[cH]1[Co]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)(C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Chloro[(di-<i>tert</i>-butylphosphino)cobaltocenium-κ<i>P</i>]gold(I) hexafluorophosphate
• Authors of publication: Li, Li-Yan; Ren, Yong; Yu, Guang-Ao; Liu, Sheng-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m249 - m250
• a: 8.4139 ± 0.0012 Å
• b: 9.368 ± 0.0013 Å
• c: 15.031 ± 0.002 Å
• α: 100.384 ± 0.002°
• β: 99.487 ± 0.002°
• γ: 102.035 ± 0.002°
• Cell volume: 1114.2 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes