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Information card for entry 4507916
Preview
| Coordinates | 4507916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H44 Gd2 N2 O26 |
|---|---|
| Calculated formula | C24 H44 Gd2 N2 O26 |
| SMILES | c12ccc(cc1)OCC(=O)O[Gd]1(OC(=O)CN(c3ccc(cc3)OCC(=O)O[Gd]3(OC(=O)CN2CC(=O)O3)([OH2])([OH2])([OH2])([OH2])[OH2])CC(=O)O1)([OH2])([OH2])([OH2])([OH2])[OH2].O.O |
| Title of publication | Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures |
| Authors of publication | Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 8 |
| Pages of publication | 3374 |
| a | 29.7113 ± 0.0008 Å |
| b | 8.7956 ± 0.0002 Å |
| c | 14.6009 ± 0.0004 Å |
| α | 90° |
| β | 111.409 ± 0.003° |
| γ | 90° |
| Cell volume | 3552.35 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0465 |
| Weighted residual factors for all reflections included in the refinement | 0.0539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4507916.cif |
| 179615 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/79. |
4507916.cif |
| 87754 | 2013-08-27 | cif/ Adding structures of 4507912, 4507913, 4507914, 4507915, 4507916, 4507917, 4507918, 4507919 via cif-deposit CGI script. |
4507916.cif |
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Users of the data should acknowledge the original authors of the
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