Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2231459
Preview
| Coordinates | 2231459.cif |
|---|---|
| Structure factors | 2231459.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[(diaquastrontium)-bis(μ-2-methyl-3,5-dinitrobenzoato)] |
|---|---|
| Formula | C16 H14 N4 O14 Sr |
| Calculated formula | C16 H14 N4 O14 Sr |
| Title of publication | <i>catena</i>-Poly[(diaquastrontium)-bis(μ-2-methyl-3,5-dinitrobenzoato)] |
| Authors of publication | Danish, Muhammad; Tahir, M. Nawaz; Ahmad, Nazir; Nisa, Mehwish; Saleem, Iram |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1302 |
| a | 8.0901 ± 0.0003 Å |
| b | 11.2278 ± 0.0004 Å |
| c | 12.1356 ± 0.0004 Å |
| α | 93.805 ± 0.002° |
| β | 104.566 ± 0.001° |
| γ | 98.971 ± 0.001° |
| Cell volume | 1047.4 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 all reflections | 0.026 |
| Residual factor for significantly intense reflections | 0.0229 |
| Weighted residual factors for significantly intense reflections | 0.0556 |
| Weighted residual factors for all reflections included in the refinement | 0.0568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181236 (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 2/23/14. |
2231459.cif 2231459.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. |
2231459.cif 2231459.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231459.cif 2231459.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. | 2231459.cif 2231459.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231459.cif 2231459.hkl |
| 27584 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231459 via cif-deposit CGI script. |
2231459.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.