Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4512438
Preview
| Coordinates | 4512438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H32 Cl4 N10 O6 Sn |
|---|---|
| Calculated formula | C28 H32 Cl4 N10 O6 Sn |
| SMILES | c1[nH]c(c2c(n1)[n+](cn2)CC(=O)OC)N.[OH2][Sn](c1ccccc1)(Cl)(Cl)(Cl)c1ccccc1.O.[Cl-].c1[nH]c(c2c(n1)[n+](cn2)CC(=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 | 12.9349 ± 0.0005 Å |
| b | 21.0223 ± 0.0009 Å |
| c | 13.1337 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3571.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1599 |
| Weighted residual factors for all reflections included in the refinement | 0.164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.274 |
| Diffraction radiation wavelength | 0.71073 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. |
4512438.cif |
| 130427 | 2015-02-04 | cif/ Updating files of 4512435, 4512436, 4512437, 4512438, 4512439 Original log message: Adding full bibliography for 4512435--4512439.cif. |
4512438.cif |
| 128187 | 2014-12-06 | cif/ Adding structures of 4512435, 4512436, 4512437, 4512438, 4512439 via cif-deposit CGI script. |
4512438.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.