Information card for entry 2202194

Structure parameters

• Chemical name: tris(triphenylphosphine)copper(I) hexafluorophosphate
• Formula: C54 H45 Cu F6 P4
• Calculated formula: C54 H45 Cu F6 P4
• SMILES: [Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tris(triphenylphosphine)copper(I) hexafluorophosphate
• Authors of publication: Peter C. Healy; John V. Hanna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m384 - m386
• a: 11.057 ± 0.002 Å
• b: 12.19 ± 0.0018 Å
• c: 18.79 ± 0.003 Å
• α: 88.4 ± 0.8°
• β: 100.633 ± 0.015°
• γ: 104.349 ± 0.013°
• Cell volume: 2411 ± 1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No