Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233815
Preview
| Coordinates | 2233815.cif |
|---|---|
| Structure factors | 2233815.hkl |
| Original IUCr paper | HTML |
| Common name | poly[[μ~4~-nitrilotris(methylenephosphonic acid)(3-)]lanthanum(III)] |
|---|---|
| Chemical name | poly[(μ~4~-{[bis(hydrogen phosphonatomethyl)azaniumyl]methyl}phosphonato)lanthanum(III)] |
| Formula | C3 H9 La N O9 P3 |
| Calculated formula | C3 H9 La N O9 P3 |
| Title of publication | Redetermination at 180K of a layered lanthanide‒organic framework |
| Authors of publication | Silva, Patrícia; Fernandes, José A.; Almeida Paz, Filipe A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m294 - m295 |
| a | 9.144 ± 0.003 Å |
| b | 11.727 ± 0.004 Å |
| c | 9.823 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1053.3 ± 0.6 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.077 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/38. |
2233815.cif 2233815.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233815.cif 2233815.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233815.cif 2233815.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233815.cif 2233815.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233815.cif 2233815.hkl |
| 51067 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233815 via cif-deposit CGI script. |
2233815.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.