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Information card for entry 7206260
Preview
Coordinates | 7206260.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H52 Mo8 N4 O26 |
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Calculated formula | C36 H52 Mo8 N4 O26 |
SMILES | c1[n+](cccc1)CCCCCCCC[n+]1ccccc1.O=[Mo]12O[Mo]34([O]5[Mo]6(O[Mo]7([O]1[Mo](O[Mo](=O)(O4)=O)(O6)(=O)(=O)O7)(=O)(=O)O[Mo](O[Mo]5(O2)(=O)(=O)O3)(=O)=O)=O)(=O)=O.c1cccc[n+]1CCCCCCCC[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 | 15.5447 ± 0.0008 Å |
b | 10.1543 ± 0.0005 Å |
c | 16.6922 ± 0.0008 Å |
α | 90° |
β | 90.059 ± 0.001° |
γ | 90° |
Cell volume | 2634.8 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0287 |
Residual factor for significantly intense reflections | 0.0254 |
Weighted residual factors for significantly intense reflections | 0.0622 |
Weighted residual factors for all reflections included in the refinement | 0.0641 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/7206260.html
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Users of the data should acknowledge the original authors of the
structural data.