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Information card for entry 7224349
Preview
| Coordinates | 7224349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H28 Eu F2 N7 O10 |
|---|---|
| Calculated formula | C36 H28 Eu F2 N7 O10 |
| SMILES | [Eu]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)(OC(=O)c1cncc(F)c1)(OC(=O)c1cncc(F)c1)([OH2])ON(=[O]3)=O.O.O |
| Title of publication | Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid |
| Authors of publication | Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 13 |
| Pages of publication | 2303 |
| a | 8.6142 ± 0.0002 Å |
| b | 27.4686 ± 0.0009 Å |
| c | 15.3524 ± 0.0004 Å |
| α | 90° |
| β | 100.233 ± 0.003° |
| γ | 90° |
| Cell volume | 3574.9 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0709 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1255 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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. |
7224349.cif |
| 181590 | 2016-04-05 | cif/ Updating files of 7224342, 7224343, 7224344, 7224345, 7224346, 7224347, 7224348, 7224349 Original log message: Adding full bibliography for 7224342--7224349.cif. |
7224349.cif |
| 176822 | 2016-02-23 | cif/ Adding structures of 7224342, 7224343, 7224344, 7224345, 7224346, 7224347, 7224348, 7224349 via cif-deposit CGI script. |
7224349.cif |
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Users of the data should acknowledge the original authors of the
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