Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4305261
Preview
| Coordinates | 4305261.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H166 O44 Sn12 |
|---|---|
| Calculated formula | C64 H166 O44 Sn12 |
| SMILES | C(C)[O]1[Sn]2345[O]6[Sn]71(OCC)(OCC)[O]1[Sn]89([O]5[Sn]5([O]2[Sn]([OH][Sn]2%10([O]%11[Sn]([O]2CC)([O](CC)[Sn]6%11([O]%10CC)(OCC)(OCC)OCC)(OCC)(OCC)OCC)(O3)[OH]5)([O]4CC)([OH]CC)(OCC)OCC)([O]8CC)(OCC)OCC)O[Sn]23([O]4[Sn]([O]3CC)([O](CC)[Sn]4([O]2CC)(OCC)(OCC)OCC)(OCC)(OCC)OCC)([OH]7)[OH][Sn]1([O]9CC)([OH]CC)(OCC)OCC |
| Title of publication | Sn12O8(OH)4(OEt)28(HOEt)4: an Additional Member in the Family of Dodecameric Oxo Clusters |
| Authors of publication | François Ribot; Eugenia Martínez-Ferrero; Kamal Boubekeur; Peter M. S. Hendrickx; Jose C. Martins; Luk Van Lokeren; Rudolph Willem; Monique Biesemans |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 5831 - 5840 |
| a | 11.979 ± 0.006 Å |
| b | 13.562 ± 0.008 Å |
| c | 18.618 ± 0.009 Å |
| α | 93.83 ± 0.08° |
| β | 102.77 ± 0.06° |
| γ | 104.39 ± 0.04° |
| Cell volume | 2833 ± 3 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1279 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.1342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179090 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/52. |
4305261.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305261.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305261.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305261.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.