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Information card for entry 4511742
Preview
| Coordinates | 4511742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 Mo6 N4 O19 |
|---|---|
| Calculated formula | C14 H14 Mo6 N4 O19 |
| SMILES | c1n(ccn1)c1cc(c(cc1C)n1ccnc1)C.O1[Mo]234(=O)O[Mo]567([O]89%104[Mo]4(O3)(O7)(=O)O[Mo]38(=O)(O[Mo]9(O2)(O4)(=O)O[Mo]1%10(O3)(O5)=O)O6)=O |
| Title of publication | Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems |
| Authors of publication | Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 4450 |
| a | 7.741 ± 0.005 Å |
| b | 9.604 ± 0.005 Å |
| c | 10.2 ± 0.005 Å |
| α | 113.291 ± 0.005° |
| β | 107.492 ± 0.005° |
| γ | 92.45 ± 0.005° |
| Cell volume | 652.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0293 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4511742.cif |
| 122870 | 2014-09-06 | cif/ Updating files of 4511742, 4511743, 4511744, 4511745, 4511746, 4511747 Original log message: Adding full bibliography for 4511742--4511747.cif. |
4511742.cif |
| 121005 | 2014-08-01 | cif/ Adding structures of 4511742, 4511743, 4511744, 4511745, 4511746, 4511747 via cif-deposit CGI script. |
4511742.cif |
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Users of the data should acknowledge the original authors of the
structural data.