Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4332831
Preview
| Coordinates | 4332831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H20 F10 N6 P6 |
|---|---|
| Calculated formula | C30 H20 F10 N6 P6 |
| SMILES | c1(c(c2ccccc2)c(c(c(c2ccccc2)c1c1ccccc1)P1(F)=NP(F)(F)=NP(F)(F)=N1)c1ccccc1)P1(F)=NP(F)(F)=NP(F)(F)=N1 |
| Title of publication | Synthesis and Characterization of Novel Fluorophosphazene-Derived Cobaltacyclopentadienyl Metallacycles: Reagents for Assembly of Aryl-Bridged Fluorophosphazenes |
| Authors of publication | Kumar, Muthiah Senthil; Upreti, Shailesh; Elias, Anil J. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 19 |
| Pages of publication | 7835 - 7842 |
| a | 13.3524 ± 0.0011 Å |
| b | 13.7083 ± 0.0011 Å |
| c | 18.6955 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3422 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4332831.cif |
| 179431 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/28. |
4332831.cif |
| 98578 | 2014-01-30 | cif/ Adding structures of 4332828, 4332829, 4332830, 4332831 via cif-deposit CGI script. |
4332831.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.