Information card for entry 7226153

Structure parameters

• Formula: C4 Cu K2 O8
• Calculated formula: C4 Cu K2 O8
• SMILES: C1(=O)C(=O)O[Cu]2(O1)OC(=O)C(=O)O2.[K+].[K+]
• Title of publication: Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration
• Authors of publication: Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 27
• Pages of publication: 5062
• a: 4.8886 ± 0.0011 Å
• b: 6.6448 ± 0.0015 Å
• c: 13.171 ± 0.003 Å
• α: 90°
• β: 96.305 ± 0.005°
• γ: 90°
• Cell volume: 425.26 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No