Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2231031
Preview
| Coordinates | 2231031.cif |
|---|---|
| Structure factors | 2231031.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(<i>N</i>-benzoyl-<i>N</i>-phenylhydroxylaminato- κ^2^<i>O</i>,<i>O</i>')dimethyltin(IV) |
|---|---|
| Formula | C28 H26 N2 O4 Sn |
| Calculated formula | C28 H26 N2 O4 Sn |
| SMILES | [Sn]12(ON(c3ccccc3)C(=[O]1)c1ccccc1)(ON(c1ccccc1)C(=[O]2)c1ccccc1)(C)C |
| Title of publication | Bis(<i>N</i>-benzoyl-<i>N</i>-phenylhydroxylaminato-κ^2^<i>O</i>,<i>O</i>')dimethyltin(IV) |
| Authors of publication | Jiang, Jin; Dong, Lei; Yin, Handong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1029 |
| a | 13.5475 ± 0.0014 Å |
| b | 10.3621 ± 0.0011 Å |
| c | 19.0161 ± 0.0019 Å |
| α | 90° |
| β | 102.128 ± 0.001° |
| γ | 90° |
| Cell volume | 2609.9 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.085 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181232 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/10. |
2231031.cif 2231031.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231031.cif 2231031.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231031.cif 2231031.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231031.cif 2231031.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231031.cif 2231031.hkl |
| 26923 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231031 via cif-deposit CGI script. |
2231031.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.