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Information card for entry 4510158
Preview
| Coordinates | 4510158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H100 Cu3 Mo6 N24 O44 Te |
|---|---|
| Calculated formula | C36 H84 Cu3 Mo6 N24 O44 Te |
| SMILES | C1(O)=[O][Cu]2([NH2][C@H]1CCCNC(=N)N)[NH2][C@@H](C(=[O]2)O)CCCNC(=N)N.[O]1=C(O)[C@@H]([NH2][Cu]21[NH2][C@@H](C(=[O]2)O)CCCNC(=N)N)CCCNC(=N)N.[Mo]123(O[Mo]45([O]6[Te]789([O]2[Mo]2(O1)(=O)(=O)[O]7[Mo]1(O2)(=O)(=O)[O]8[Mo]2(O1)(=O)(=O)O[Mo]6(=O)(=O)(O4)[O]92)[O]35)(=O)=O)(=O)=O.O.O.O.O.C(=N)(N)NCCC[C@@H]1C(O)=[O][Cu]2([NH2]1)[NH2][C@H](C(=[O]2)O)CCCNC(=N)N.O.O.O.O |
| Title of publication | Novel One-Dimensional Organic‒Inorganic Polyoxometalate Hybrids Constructed from Heteropolymolybdate Units and Copper‒Aminoacid Complexes |
| Authors of publication | Zhao, Jun-Wei; Zhang, Jing-Li; Li, Yan-Zhou; Cao, Jing; Chen, Li-Juan |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 3 |
| Pages of publication | 1467 |
| a | 10.9476 ± 0.0009 Å |
| b | 11.3888 ± 0.0009 Å |
| c | 16.2334 ± 0.0013 Å |
| α | 89.329 ± 0.001° |
| β | 78.608 ± 0.001° |
| γ | 82.383 ± 0.001° |
| Cell volume | 1966.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179648 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/01. |
4510158.cif |
| 106371 | 2014-03-15 | cif/ Adding structures of 4510157, 4510158 via cif-deposit CGI script. |
4510158.cif |
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Users of the data should acknowledge the original authors of the
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