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Information card for entry 7222370
Preview
| Coordinates | 7222370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C96 H92 Cu2 N4 O18 |
|---|---|
| Calculated formula | C96 H92 Cu2 N4 O18 |
| SMILES | c12C(CCC(=O)O[Cu]3([n]4ccccc4)([n]4ccccc4)[O](C(=O)CCC4(c5ccccc5c5c4cccc5)CCC(=O)O)[Cu]([n]4ccccc4)([n]4ccccc4)(OC(=O)CCC4(c5ccccc5c5c4cccc5)CCC(=O)O)[O]3C(=O)CCC3(c4ccccc4c4c3cccc4)CCC(=O)O)(c3ccccc3c2cccc1)CCC(=O)O.O.O |
| Title of publication | pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes |
| Authors of publication | Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 43 |
| Pages of publication | 8216 |
| a | 10.5945 ± 0.0016 Å |
| b | 12.9146 ± 0.0019 Å |
| c | 15.642 ± 0.002 Å |
| α | 91.073 ± 0.002° |
| β | 94.126 ± 0.002° |
| γ | 93.942 ± 0.002° |
| Cell volume | 2129 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0796 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7222370.cif |
| 171062 | 2015-12-09 | cif/ Updating files of 7222369, 7222370, 7222371, 7222372, 7222373 Original log message: Adding full bibliography for 7222369--7222373.cif. |
7222370.cif |
| 159074 | 2015-10-01 | cif/ Adding structures of 7222369, 7222370, 7222371, 7222372, 7222373 via cif-deposit CGI script. |
7222370.cif |
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Users of the data should acknowledge the original authors of the
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