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Information card for entry 7206261
Preview
| Coordinates | 7206261.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C76 H112 Mo16 N8 O52 |
|---|---|
| Calculated formula | C76 H112 Mo16 N8 O52 |
| SMILES | c1cccc[n+]1CCCCCCCCC[n+]1ccccc1.[n+]1(ccccc1)CCCCCCCCC[n+]1ccccc1.O1[Mo]23(O[Mo](O[Mo]45(O[Mo]67([O]4[Mo](O2)(=O)O[Mo]1([O]3[Mo](O7)(=O)O5)(=O)(O[Mo](O6)(=O)=O)=O)(=O)=O)(=O)=O)(=O)=O)(=O)=O.[Mo]123(=O)(O[Mo]45([O]671[Mo]1([O]8[Mo]9%10(=O)(O[Mo]%11%12([O]%13%149[Mo]([O]2[Mo]6%13([O]1%10)(=O)O%12)(O%11)([O]3[Mo]78%14(=O)O5)(=O)=O)(=O)=O)=O)(O4)(=O)=O)(=O)=O)=O.c1cccc[n+]1CCCCCCCCC[n+]1ccccc1.[n+]1(ccccc1)CCCCCCCCC[n+]1ccccc1 |
| Title of publication | Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates |
| Authors of publication | Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 16 |
| Pages of publication | 5071 |
| a | 22.684 ± 0.002 Å |
| b | 13.1384 ± 0.0012 Å |
| c | 19.4278 ± 0.0017 Å |
| α | 90° |
| β | 108.619 ± 0.001° |
| γ | 90° |
| Cell volume | 5487.1 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1013 |
| Residual factor for significantly intense reflections | 0.0915 |
| Weighted residual factors for significantly intense reflections | 0.2277 |
| Weighted residual factors for all reflections included in the refinement | 0.2427 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206261.cif |
| 180393 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/62. |
7206261.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206261.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206261.cif |
| 23585 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206255, 7206256, 7206257, 7206258, 7206259, 7206260, 7206261, 7206262, 7206263, 7206264 via cif-deposit CGI script. |
7206261.cif |
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