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Information card for entry 1517703
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Coordinates | 1517703.cif |
---|
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 Å3 |
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 |
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