Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7028618
Preview
| Coordinates | 7028618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H60 I3 Li O4 P4 |
|---|---|
| Calculated formula | C72 H60 I3 Li O4 P4 |
| Title of publication | Synthesis, structure and photophysical properties of [UO2X2(O=PPh3)2] (X = Cl, Br, I). |
| Authors of publication | Hashem, Emtithal; McCabe, Thomas; Schulzke, Carola; Baker, Robert J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 3 |
| Pages of publication | 1125 - 1131 |
| a | 16.4991 ± 0.0009 Å |
| b | 23.6236 ± 0.0012 Å |
| c | 23.0801 ± 0.0009 Å |
| α | 90° |
| β | 132.69 ± 0.002° |
| γ | 90° |
| Cell volume | 6612.3 ± 0.6 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0765 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7028618.cif |
| 179992 | 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 7/02/86. |
7028618.cif |
| 105376 | 2014-03-12 | cif/ Adding structures of 7028616, 7028617, 7028618 via cif-deposit CGI script. |
7028618.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.