Information card for entry 1517703

Structure parameters

• Formula: C32 H34 Cu N4 O13
• Calculated formula: C32 H34 Cu N4 O13
• SMILES: [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)OC(=O)[C@H](CC(=O)[O])[C@@H](C(=O)O)CC(=O)O.O.O.O.O.O
• Title of publication: Novel topological supramolecular architectures based on partially protonated butane-1,2,3,4-tetracarboxylato complexes: Synthesis, structures and magnetic properties
• Authors of publication: Hong-Lin Zhu; Jin-Li Qi; Jian-Li Lin; Wei Xu; Jiang Wu; Yue-Qing Zheng
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 404
• Pages of publication: 49 - 57
• a: 10.161 ± 0.002 Å
• b: 10.377 ± 0.002 Å
• c: 16.554 ± 0.003 Å
• α: 102.07 ± 0.03°
• β: 95.86 ± 0.03°
• γ: 112.31 ± 0.03°
• Cell volume: 1547 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No