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Information card for entry 7220126
Preview
| Coordinates | 7220126.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H48 Cu2 N8 O18 |
|---|---|
| Calculated formula | C68 H48 Cu2 N8 O18 |
| SMILES | [n]1(ccn(c1)c1ccc(n2cncc2)cc1)[Cu]1234[O]=C5c6c(ccc(C(=O)O)c6)c6cccc(c6)c6c(cc(cc6)C(=O)O)C(O1)=[O][Cu]14([n]4ccn(c4)c4ccc(n6cncc6)cc4)([O]=C(c4c(ccc(C(=O)O)c4)c4cccc(c4)c4ccc(cc4C(=[O]1)O3)C(=O)O)O2)O5.O.O |
| Title of publication | Hydrothermal Syntheses, Structural Characterizations, and Magnetic Properties of Five MOFs Assembled From C2-Symmetric Ligand of 1,3-Di((2',4'-dicarboxylphenyl)benzene with Various Coodination modes |
| Authors of publication | zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 19.476 ± 0.0007 Å |
| b | 10.5905 ± 0.0004 Å |
| c | 29.7263 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6131.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0886 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1355 |
| Weighted residual factors for all reflections included in the refinement | 0.156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220126.cif |
| 135727 | 2015-05-08 | cif/ Adding structures of 7220123, 7220124, 7220125, 7220126, 7220127 via cif-deposit CGI script. |
7220126.cif |
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Users of the data should acknowledge the original authors of the
structural data.