Information card for entry 2236495

Structure parameters

• Chemical name: (Nitrato-κ<i>O</i>)tris[tris(4-fluorophenyl)phosphane-κ<i>P</i>]copper(I)
• Formula: C54 H36 Cu F9 N O3 P3
• Calculated formula: C54 H36 Cu F9 N O3 P3
• SMILES: c1(ccc(cc1)F)[P](c1ccc(cc1)F)(c1ccc(cc1)F)[Cu](ON(=O)=O)([P](c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F)[P](c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F
• Title of publication: (Nitrato-κ<i>O</i>)tris[tris(4-fluorophenyl)phosphane-κ<i>P</i>]copper(I)
• Authors of publication: Hill, Tania N.; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1396 - m1397
• a: 9.3861 ± 0.0003 Å
• b: 12.2552 ± 0.0004 Å
• c: 21.482 ± 0.0007 Å
• α: 85.274 ± 0.002°
• β: 86.843 ± 0.001°
• γ: 74.954 ± 0.001°
• Cell volume: 2376.76 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 significantly intense reflections: 0.0346
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes