Information card for entry 2008848

Structure parameters

• Common name: Copper(II)-cyclopropane-1,1-carboxylate
• Chemical name: Copper(II)-cyclopropane-1,1-carboxylate
• Formula: C5 H4 Cu O4
• Calculated formula: C5 H4 Cu O4
• SMILES: [Cu+2].[O-]C(=O)C1(CC1)C(=O)[O-]
• Title of publication: Polymeric (cyclopropane-1,1-dicarboxylato)copper(II)
• Authors of publication: Petri, Alke; Schwarz, Thomas; Schilling, Joachim; Lentz, Axel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1247 - 1248
• a: 6.794 ± 0.0005 Å
• b: 6.794 ± 0.0005 Å
• c: 11.9557 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 551.86 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0195
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes