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Information card for entry 7206262
Preview
Coordinates | 7206262.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H60 Mo8 N4 O26 |
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Calculated formula | C40 H60 Mo8 N4 O26 |
SMILES | c1cccc[n+]1CCCCCCCCCC[n+]1ccccc1.O1[Mo]23(=O)(=O)[O]4[Mo]56(=O)(=O)O[Mo]78(O[Mo]9%10(=O)(=O)[O]%11[Mo]%12%13(=O)(=O)[O]%14%152[Mo]1(O%12)(=O)(=O)O[Mo]4%14([O]579[Mo]%11%15(=O)([O]36)O8)(=O)[O]%10%13)(=O)=O.c1cccc[n+]1CCCCCCCCCC[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 | 11.1947 ± 0.0008 Å |
b | 17.5265 ± 0.0013 Å |
c | 14.1876 ± 0.001 Å |
α | 90° |
β | 97.351 ± 0.001° |
γ | 90° |
Cell volume | 2760.8 ± 0.3 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.033 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0796 |
Weighted residual factors for all reflections included in the refinement | 0.0825 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7206262.html
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Users of the data should acknowledge the original authors of the
structural data.