Information card for entry 2237357

Structure parameters

• Chemical name: μ-Oxalato-bis[bis(triphenylphosphine)copper(I)] dichloromethane disolvate
• Formula: C76 H64 Cl4 Cu2 O4 P4
• Calculated formula: C76 H64 Cl4 Cu2 O4 P4
• SMILES: C12C(=[O][Cu](O2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)O[Cu]([O]=1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: μ-Oxalato-bis[bis(triphenylphosphine)copper(I)] dichloromethane disolvate
• Authors of publication: Royappa, Andrew D.; Golen, James A.; Rheingold, Arnold L.; Royappa, A. Timothy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m126
• a: 13.4735 ± 0.0004 Å
• b: 14.7294 ± 0.0004 Å
• c: 18.2282 ± 0.0006 Å
• α: 90°
• β: 109.255 ± 0.001°
• γ: 90°
• Cell volume: 3415.14 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes