Test Crystallography Open Database
- TESTCOD Home
- Accessing TESTCOD Data
- Add Your Data
- Documentation
Information card for entry 4300055
Preview
| Coordinates | 4300055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 Mg N2 O13 P4 |
|---|---|
| Calculated formula | C12 Mg N2 O13 P4 |
| Title of publication | Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids |
| Authors of publication | Colodrero, Rosario M. P.; Angeli, Giasemi K.; Bazaga-Garcia, Montse; Olivera-Pastor, Pascual; Villemin, Didier; Losilla, Enrique R.; Martos, Estefania Q.; Hix, Gary B.; Aranda, Miguel A. G.; Demadis, Konstantinos D.; Cabeza, Aurelio |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Journal issue | 15 |
| Pages of publication | 8770 - 8783 |
| a | 22.2825 ± 0.0007 Å |
| b | 10.031 ± 0.0004 Å |
| c | 8.55695 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1912.61 ± 0.12 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P m n b |
| Hall space group symbol | -P 2bc 2a |
| RFsqd | 0.08241 |
| Goodness-of-fit parameter for all reflections | 1.98 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.2998 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1365 (current) | 2025-07-01 | cif/ Adding structures of 4300052, 4300053, 4300054, 4300055, 4300056, 4300057, 4300058 via cif-deposit CGI script. |
4300055.cif |
All data in the TESTCOD 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.