Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4087401
Preview
| Coordinates | 4087401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H28 I O3 |
|---|---|
| Calculated formula | C28 H28 I O3 |
| Title of publication | Synthesis, Structural Characterization, and Reactivity of a Fluorene-Based Calcium Oxycyclopentadienide Complex |
| Authors of publication | Wei, Baosheng; Li, Heng; Zhang, Wen-Xiong; Xi, Zhenfeng |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 7 |
| Pages of publication | 1339 |
| a | 8.5711 ± 0.0005 Å |
| b | 11.9149 ± 0.0004 Å |
| c | 12.8621 ± 0.0006 Å |
| α | 79.408 ± 0.003° |
| β | 75.046 ± 0.004° |
| γ | 78.587 ± 0.004° |
| Cell volume | 1231.67 ± 0.1 Å3 |
| Cell temperature | 180.01 ± 0.1 K |
| Ambient diffraction temperature | 180.01 ± 0.1 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 | 0.0442 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4087401.cif |
| 236775 | 2019-11-24 | cif/ Adding structures of 4087400, 4087401 via cif-deposit CGI script. |
4087401.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.