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Information card for entry 4511382
Preview
| Coordinates | 4511382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H228 I2 N12 O30 Sn6 |
|---|---|
| Calculated formula | C120 H228 I2 N12 O30 Sn6 |
| SMILES | C1(O[Sn](OC(=O)c2c(C(=O)O[Sn](CCCC)(OC(=O)c3c(C(O[Sn](CCCC)(OC(=O)c4c(C(=O)O[Sn](CCCC)(OC(=O)c5c(C(O[Sn](CCCC)(OC(=O)c6c(C(=O)O[Sn](CCCC)(OC(=O)c7c1n(c[n+]7C)C)(CCCC)CCCC)n(c[n+]6C)C)(CCCC)CCCC)=O)n(c[n+]5C)C)(CCCC)CCCC)n(c[n+]4C)C)(CCCC)CCCC)[O])n(c[n+]3C)C)(CCCC)CCCC)n(c[n+]2C)C)(CCCC)(CCCC)CCCC)=O.[I-].OC.OC.OC.[I-].OC.OC.OC |
| Title of publication | A Hexameric Hexagonal Organotin Macrocycle. Supramolecular Entrapment of an Iodide‒Iodide Short Contact |
| Authors of publication | Mohapatra, Chandrajeet; Tripathi, Sarita; Anantharaman, Ganapathi; Chandrasekhar, Vadapalli |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 7 |
| Pages of publication | 3182 |
| a | 26.535 ± 0.005 Å |
| b | 26.535 ± 0.005 Å |
| c | 20.282 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 120 ± 0.005° |
| Cell volume | 12367 ± 5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0982 |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.2156 |
| Weighted residual factors for all reflections included in the refinement | 0.2342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179660 (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 4/51/13. |
4511382.cif |
| 119047 | 2014-07-05 | cif/ Updating files of 4511382 Original log message: Adding full bibliography for 4511382.cif. |
4511382.cif |
| 117665 | 2014-06-15 | cif/ Adding structures of 4511382 via cif-deposit CGI script. |
4511382.cif |
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