Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022354
Preview
| Coordinates | 2022354.cif |
|---|---|
| Structure factors | 2022354.hkl |
| Original IUCr paper | HTML |
| Chemical name | Octabutyltetrakis{(<i>E</i>)-3-[(2-hydroxybenzylidene)amino]propanoato}di-μ~3~-oxido-tetratin(IV) |
|---|---|
| Formula | C72 H112 N4 O14 Sn4 |
| Calculated formula | C72 H112 N4 O14 Sn4 |
| SMILES | [Sn]123([O]([Sn]45([O]3[Sn]3(OC(=[O]2)CC/N=C/c2c(O)cccc2)([O]4[Sn]2([O]3C(=[O]2)CC/N=C/c2c(O)cccc2)(OC(=[O]5)CC/N=C/c2c(O)cccc2)(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)C(=[O]1)CC/N=C/c1c(O)cccc1)(CCCC)CCCC |
| Title of publication | Structural diversity among some dialkyltin(IV) benzoate and related derivatives |
| Authors of publication | Linden, Anthony; Basu Baul, Tushar S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 5 |
| Pages of publication | 209 - 220 |
| a | 12.0054 ± 0.0003 Å |
| b | 14.7309 ± 0.0004 Å |
| c | 23.9132 ± 0.0006 Å |
| α | 76.3707 ± 0.0018° |
| β | 75.5206 ± 0.0016° |
| γ | 88.1609 ± 0.0016° |
| Cell volume | 3977.81 ± 0.18 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 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 | 0.1145 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266200 (current) | 2021-06-06 | cif/ Updating files of 2022350, 2022351, 2022352, 2022353, 2022354 Original log message: Adding full bibliography for 2022350--2022354.cif. |
2022354.cif 2022354.hkl |
| 264028 | 2021-04-10 | cif/ hkl/ Adding structures of 2022350, 2022351, 2022352, 2022353, 2022354 via cif-deposit CGI script. |
2022354.cif 2022354.hkl |
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.