Information card for entry 4126850

Structure parameters

• Formula: C18 H32 Cu2 N2 O12
• Calculated formula: C18 H32 Cu2 N2 O12
• Title of publication: A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.
• Authors of publication: Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 8.6817 ± 0.0001 Å
• b: 34.1802 ± 0.0004 Å
• c: 8.5822 ± 0.0001 Å
• α: 90°
• β: 107.6 ± 0.001°
• γ: 90°
• Cell volume: 2427.49 ± 0.05 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No