Information card for entry 2231469

Structure parameters

• Chemical name: Bis[bis(diphenylphosphinoyl)acetonitrile-κ^2^<i>O</i>,<i>O</i>']copper(II)
• Formula: C52 H40 Cu N2 O4 P4
• Calculated formula: C52 H40 Cu N2 O4 P4
• SMILES: C1(C#N)=P(c2ccccc2)(c2ccccc2)O[Cu]2([O]=P1(c1ccccc1)c1ccccc1)[O]=P(C(C#N)=P(O2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis[bis(diphenylphosphinoyl)acetonitrile-κ^2^<i>O</i>,<i>O</i>']copper(II)
• Authors of publication: Sithole, Sicelo V.; Staples, Richard J.; Van Zyl, Werner E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1217
• a: 9.5917 ± 0.0007 Å
• b: 25.8793 ± 0.0019 Å
• c: 9.6648 ± 0.0007 Å
• α: 90°
• β: 111.526 ± 0.001°
• γ: 90°
• Cell volume: 2231.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes