Information card for entry 2221140

Structure parameters

• Chemical name: Nitratotris(triphenylphosphine)copper(I) methanol solvate
• Formula: C55 H49 Cu N O4 P3
• Calculated formula: C55 H49 Cu N O4 P3
• SMILES: [Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)ON(=O)=O.OC
• Title of publication: Nitratotris(triphenylphosphine)copper(I) methanol solvate
• Authors of publication: Steyl, Gideon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m272
• a: 14.016 ± 0.0002 Å
• b: 23.015 ± 0.0003 Å
• c: 14.765 ± 0.0002 Å
• α: 90°
• β: 92.569 ± 0.001°
• γ: 90°
• Cell volume: 4758.08 ± 0.11 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes