Information card for entry 1517704

Structure parameters

• Formula: C28 H26 Cu N4 O9
• Calculated formula: C28 H26 Cu N4 O9
• SMILES: [Cu]12(OC(=O)[C@@H](CC(=O)O)[C@H](C(=O)O)CC(=O)O)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.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: 10.883 ± 0.002 Å
• b: 11.419 ± 0.002 Å
• c: 12.549 ± 0.003 Å
• α: 63.59 ± 0.03°
• β: 88.3 ± 0.03°
• γ: 71.96 ± 0.03°
• Cell volume: 1317.3 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No