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Information card for entry 4511135
Preview
| Coordinates | 4511135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H156 Mo12 N6 O36 |
|---|---|
| Calculated formula | C78 H156 Mo12 N6 O36 |
| SMILES | [Mo]123456([Mo]789([O]%10%11%122[Mo]2(=O)(O[Mo]%13%12(=O)(O[Mo]%10(=O)(O2)(O[Mo]1%11(=O)(O3)(O8)O%13)O5)O7)(O4)O9)(=O)O6)=Nc1ccc(cc1C)c1ccc(N=[Mo]2345O[Mo]678([O]9%10%112[Mo]2(=O)(O3)(O[Mo]3%10(=O)(O[Mo]%11(=O)(O7)(O[Mo]9(=O)(O3)(O8)O2)O4)O5)O6)=O)c(c1)C.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Synthetic, Structural, Spectroscopic, Electrochemical Studies and Self-assembly of Nanoscale Polyoxometalate−Organic Hybrid Molecular Dumbbells |
| Authors of publication | Zhu, Yi; Wang, Longsheng; Hao, Jian; Xiao, Zicheng; Wei, Yongge; Wang, Yuan |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 3509 |
| a | 23.374 ± 0.005 Å |
| b | 25.243 ± 0.005 Å |
| c | 19.13 ± 0.004 Å |
| α | 90° |
| β | 96.3 ± 0.03° |
| γ | 90° |
| Cell volume | 11219 ± 4 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 | 0.1454 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1686 |
| Weighted residual factors for all reflections included in the refinement | 0.1941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.234 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179658 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/11. |
4511135.cif |
| 114713 | 2014-05-29 | cif/ Adding structures of 4511134, 4511135 via cif-deposit CGI script. |
4511135.cif |
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