Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7024163
Preview
| Coordinates | 7024163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | SAC-I-281 |
|---|---|
| Formula | C28 H32 F27 K O10 Zn |
| Calculated formula | C28 H32 F27 K O10 Zn |
| SMILES | C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O[Zn](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)[O]1CCCC1.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]23456 |
| Title of publication | Three-coordinate late transition metal fluorinated alkoxide complexes. |
| Authors of publication | Cantalupo, Stefanie A.; Lum, June S.; Buzzeo, Marisa C.; Moore, Curtis; DiPasquale, Antonio G.; Rheingold, Arnold L.; Doerrer, Linda H. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 2 |
| Pages of publication | 374 - 383 |
| a | 10.797 ± 0.003 Å |
| b | 10.801 ± 0.003 Å |
| c | 21.012 ± 0.005 Å |
| α | 86.243 ± 0.003° |
| β | 84.02 ± 0.003° |
| γ | 61.203 ± 0.003° |
| Cell volume | 2135.3 ± 1 Å3 |
| Cell temperature | 208 ± 2 K |
| Ambient diffraction temperature | 208 ± 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 | 0.0807 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.193 |
| Weighted residual factors for all reflections included in the refinement | 0.2087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7024163.cif |
| 179946 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/41. |
7024163.cif |
| 92212 | 2014-01-12 | cif/ Adding structures of 7024158, 7024159, 7024160, 7024161, 7024162, 7024163 via cif-deposit CGI script. |
7024163.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.