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Information card for entry 1517702
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Coordinates | 1517702.cif |
---|
Formula | C72 H70 N8 Ni2 O30 |
---|---|
Calculated formula | C72 H70 N8 Ni2 O30 |
SMILES | [Ni]123([O]=C(O1)[C@H](CC(=O)O)[C@@H](C1=[O][Ni]45(O1)([n]1cccc6ccc7ccc[n]5c7c16)[n]1cccc6ccc5ccc[n]4c5c16)CC(=O)O)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2ccc4ccc[n]3c4c12.OC(=O)C[C@@H](C(=O)O)[C@@H](C(=O)O)CC(=O)[O-].O.O.O.OC(=O)C[C@H](C(=O)O)[C@H](C(=O)O)CC(=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 | 10.793 ± 0.002 Å |
b | 12.864 ± 0.003 Å |
c | 13.536 ± 0.003 Å |
α | 80.83 ± 0.03° |
β | 79.02 ± 0.03° |
γ | 87.53 ± 0.03° |
Cell volume | 1821.2 ± 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 | 0.1573 |
Residual factor for significantly intense reflections | 0.066 |
Weighted residual factors for significantly intense reflections | 0.1502 |
Weighted residual factors for all reflections included in the refinement | 0.24 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1517702.html
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Users of the data should acknowledge the original authors of the
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