Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4512439
Preview
| Coordinates | 4512439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H34 Cl4 N10 O4 Sn |
|---|---|
| Calculated formula | C30 H34 Cl4 N10 O4 Sn |
| SMILES | Nc1c2c(nc[nH+]1)n(cn2)CCC(=O)OC.[Sn](c1ccccc1)(c1ccccc1)(Cl)(Cl)(Cl)Cl.c1[nH+]c(c2c(n1)n(cn2)CCC(=O)OC)N |
| Title of publication | Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures |
| Authors of publication | Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 247 |
| a | 7.073 ± 0.005 Å |
| b | 11.034 ± 0.005 Å |
| c | 12.475 ± 0.005 Å |
| α | 114.821 ± 0.005° |
| β | 92.83 ± 0.005° |
| γ | 99.652 ± 0.005° |
| Cell volume | 863.3 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1309 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179671 (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 4/51/24. |
4512439.cif |
| 130427 | 2015-02-04 | cif/ Updating files of 4512435, 4512436, 4512437, 4512438, 4512439 Original log message: Adding full bibliography for 4512435--4512439.cif. |
4512439.cif |
| 128187 | 2014-12-06 | cif/ Adding structures of 4512435, 4512436, 4512437, 4512438, 4512439 via cif-deposit CGI script. |
4512439.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.