Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2230979
Preview
| Coordinates | 2230979.cif |
|---|---|
| Structure factors | 2230979.hkl |
| Original IUCr paper | HTML |
| Common name | magnesium hydrogen phosphate |
|---|---|
| Chemical name | Heptamagnesium bis(phosphate) tetrakis(hydrogen phosphate) |
| Formula | H4 Mg7 O24 P6 |
| Calculated formula | H4 Mg7 O24 P6 |
| Title of publication | Heptamagnesium bis(phosphate) tetrakis(hydrogen phosphate) with strong hydrogen bonds: Mg~7~(PO~4~)~2~(HPO~4~)~4~ |
| Authors of publication | Assani, Abderrazzak; Saadi, Mohamed; Zriouil, Mohammed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | i52 - i52 |
| a | 6.4204 ± 0.0005 Å |
| b | 7.8489 ± 0.0004 Å |
| c | 9.4315 ± 0.0005 Å |
| α | 104.442 ± 0.003° |
| β | 108.505 ± 0.005° |
| γ | 101.189 ± 0.008° |
| Cell volume | 416.7 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0304 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181886 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/09 |
2230979.cif 2230979.hkl |
| 181231 | 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 2/23/09. |
2230979.cif 2230979.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. |
2230979.cif 2230979.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230979.cif 2230979.hkl |
| 26863 | 2011-09-29 | ../uploads/cif-deposit/cod/hkl Adding Fobs of 2230979 via cif-deposit CGI script. |
2230979.cif 2230979.hkl |
| 26862 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2230979 via cif-deposit CGI script. |
2230979.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.