Information card for entry 8102866

Structure parameters

• Chemical name: Diaquabis(ethylenediamino)copper(II) squarate dihydrate
• Formula: C8 H24 Cu N4 O8
• Calculated formula: C8 H24 Cu N4 O8
• Title of publication: Crystal structure of diaquabis(ethylenediamino)copper(II) squarate dihydrate, [Cu(C2H8N2)2(H2O)2](C4O4) · 2H2O
• Authors of publication: Hanne Nuss; Martin Jansen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 773
• a: 8.0183 ± 0.0005 Å
• b: 7.9228 ± 0.0004 Å
• c: 11.8272 ± 0.0007 Å
• α: 90°
• β: 94.338 ± 0.001°
• γ: 90°
• Cell volume: 749.2 ± 0.07 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: 0.0348
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No