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Information card for entry 7044656
Preview
| Coordinates | 7044656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C7 H25 O20 S2 Tm |
|---|---|
| Calculated formula | C7 H25 O20 S2 Tm |
| SMILES | [Tm]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])[OH2].S(=O)(=O)([O-])c1c(O)cc(cc1)C(=O)O.O.O.O |
| Title of publication | Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence |
| Authors of publication | Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| a | 21.5538 ± 0.0013 Å |
| b | 7.6181 ± 0.0005 Å |
| c | 12.2261 ± 0.0009 Å |
| α | 90° |
| β | 101.022 ± 0.006° |
| γ | 90° |
| Cell volume | 1970.5 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0936 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.1993 |
| Weighted residual factors for all reflections included in the refinement | 0.2142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7044656.cif |
| 202881 | 2017-11-07 | cif/ Adding structures of 7044654, 7044655, 7044656, 7044657, 7044658, 7044659, 7044660, 7044661, 7044662, 7044663, 7044664, 7044665, 7044666, 7044667, 7044668, 7044669, 7044670, 7044671, 7044672, 7044673, 7044674, 7044675, 7044676, 7044677, 7044678, 7044679, 7044680, 7044681, 7044682, 7044683 via cif-deposit CGI script. |
7044656.cif |
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Users of the data should acknowledge the original authors of the
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