Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7702307
Preview
| Coordinates | 7702307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H35 Cl4 N5 O5 P4 |
|---|---|
| Calculated formula | C28 H35 Cl4 N5 O5 P4 |
| Title of publication | Synthesis, reactivity and structural characterisation of bicyclic tetraphosphapentazanes |
| Authors of publication | Thirupathi, Natesan; Krishnamurthy, Setharampattu S.; Nethaji, Munirathinam |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1998 |
| Journal issue | 9 |
| Pages of publication | 1469 |
| a | 8.828 ± 0.004 Å |
| b | 13.93 ± 0.005 Å |
| c | 29.316 ± 0.01 Å |
| α | 90° |
| β | 91.2 ± 0.03° |
| γ | 90° |
| Cell volume | 3604 ± 2 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 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 | 0.0588 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for all reflections | 0.1065 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Goodness-of-fit parameter for all reflections | 1.074 |
| Goodness-of-fit parameter for significantly intense reflections | 1.077 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7702307.cif |
| 243823 | 2019-11-28 | cif/ Adding structures of 7702306, 7702307, 7702308, 7702309 via cif-deposit CGI script. |
7702307.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.