Information card for entry 7226155

Structure parameters

• Formula: C4 H8 Cu K2 O12
• Calculated formula: C4 H8 Cu K2 O12
• SMILES: [K+].O.O.[Cu]12(OC(=O)C(=O)O1)OC(=O)C(=O)O2.[K+].O.O
• 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: 3.7345 ± 0.0007 Å
• b: 14.764 ± 0.003 Å
• c: 10.742 ± 0.002 Å
• α: 90°
• β: 93.23 ± 0.03°
• γ: 90°
• Cell volume: 591.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No