Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1519022
Preview
| Coordinates | 1519022.cif |
|---|
| Formula | C12 H54 N8 O24 P6 |
|---|---|
| Calculated formula | C12 N8 O24 P6 |
| SMILES | P1(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O.O.O.O.O.O.N(CC[NH3+])(CC[NH3+])CC[NH3+].N(CC[NH3+])(CC[NH3+])CC[NH3+] |
| Title of publication | Synthesis and crystal structure of((NH3CH2CH2)3N)2P6O18.6H2O |
| Authors of publication | Marouani, H.; Rzaigui, M. |
| Journal of publication | Solid State Sciences |
| Year of publication | 1999 |
| Journal volume | 1 |
| Pages of publication | 395 - 408 |
| a | 10.281 ± 0.001 Å |
| b | 11.083 ± 0.001 Å |
| c | 9.307 ± 0.002 Å |
| α | 103.83 ± 0.01° |
| β | 108.56 ± 0.01° |
| γ | 68.11 ± 0.01° |
| Cell volume | 924.1 ± 0.2 Å3 |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 5.19 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519022.cif |
| 135255 | 2015-04-13 | cif/ Adding structures of 1519022 via cif-deposit CGI script. |
1519022.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.