Information card for entry 2238652

Structure parameters

• Common name: Tetrakis(acetonitrile)copper(I) hydrogen oxalate
• Chemical name: Tetrakis(acetonitrile)copper(I) hydrogen oxalate‒oxalic acid‒acetonitrile (1/0.5/0.5)
• Formula: C12 H15.5 Cu N4.5 O6
• Calculated formula: C12 H15.5 Cu N4.5 O6
• Title of publication: Tetrakis(acetonitrile)copper(I) hydrogen oxalate‒oxalic acid‒acetonitrile (1/0.5/0.5)
• Authors of publication: Royappa, A. Timothy; Stepherson, Jacob R.; Vu, Oliver D.; Royappa, Andrew D.; Stern, Charlotte L.; Müller, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m544
• a: 9.5637 ± 0.0004 Å
• b: 5.567 ± 0.0002 Å
• c: 32.0682 ± 0.0012 Å
• α: 90°
• β: 92.901 ± 0.002°
• γ: 90°
• Cell volume: 1705.16 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No