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Information card for entry 7030175
Preview
Coordinates | 7030175.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H81 Mo6 N3 O18 |
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Calculated formula | C48 H81 Mo6 N3 O18 |
SMILES | [Mo]1234(=Nc5ccc6c7c5ccc5cccc(c75)cc6)O[Mo]567(=O)O[Mo]89(O3)([O]3%1046[Mo]4(O2)(O8)(=O)O[Mo]3(O1)(O5)(=O)O[Mo]%10(O4)(=O)(O9)O7)=O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC |
Title of publication | Experimental and theoretical studies on pyrene-grafted polyoxometalate hybrid. |
Authors of publication | Gao, Junkuo; Liu, Xinfeng; Liu, Yi; Yu, Lingling; Feng, Yuhua; Chen, Hongyu; Li, Yongxin; Rakesh, Ganguly; Huan, Cheng Hon Alfred; Sum, Tze Chien; Zhao, Yang; Zhang, Qichun |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 39 |
Pages of publication | 12185 - 12191 |
a | 12.3547 ± 0.0006 Å |
b | 12.8923 ± 0.0006 Å |
c | 19.6931 ± 0.0009 Å |
α | 78.355 ± 0.002° |
β | 78.467 ± 0.002° |
γ | 72.716 ± 0.002° |
Cell volume | 2900.4 ± 0.2 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1463 |
Residual factor for significantly intense reflections | 0.0595 |
Weighted residual factors for significantly intense reflections | 0.1323 |
Weighted residual factors for all reflections included in the refinement | 0.1893 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7030175.html
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Users of the data should acknowledge the original authors of the
structural data.