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Information card for entry 7205057
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7205057.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 Mo8 N12 O26 |
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Calculated formula | C24 H24 Mo8 N12 O26 |
SMILES | c1cc(cc[nH+]1)c1n(c(c2cc[nH+]cc2)nn1)N.O=[Mo]1234[O]5[Mo]67([O]8[Mo]9%10%11(=O)[O]%12[Mo]%13%14(=O)([O]2[Mo]2%12(O[Mo](O1)(O6)([O]237%10)(=O)=O)(=O)=O)(=O)[Mo]2(O9)(O[Mo]58(=O)(=O)[O]4%11%132)(O%14)(=O)=O)(=O)=O.c1cc(cc[nH+]1)c1n(c(c2cc[nH+]cc2)nn1)N |
Title of publication | Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole |
Authors of publication | Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 5 |
Pages of publication | 1687 |
a | 10.626 ± 0.0007 Å |
b | 15.8212 ± 0.001 Å |
c | 12.8521 ± 0.0008 Å |
α | 90° |
β | 100.703 ± 0.001° |
γ | 90° |
Cell volume | 2123.1 ± 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 | 0.027 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0592 |
Weighted residual factors for all reflections included in the refinement | 0.0608 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/7205057.html
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