Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233136
Preview
| Coordinates | 2233136.cif |
|---|---|
| Structure factors | 2233136.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diammonium diaquabis(phosphato)triferrate(II) |
|---|---|
| Formula | Fe3 H12 N2 O16 P4 |
| Calculated formula | Fe3 H12 N2 O16 P4 |
| Title of publication | An ammonium iron(II) pyrophosphate, (NH~4~)~2~[Fe~3~(P~2~O~7~)~2~(H~2~O)~2~], with a layered structure |
| Authors of publication | Liu, Biao; Zhang, Xin; Wen, Lei; Sun, Wei; Huang, Ya-Xi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | i5 - i6 |
| a | 9.4131 ± 0.0017 Å |
| b | 8.194 ± 0.0015 Å |
| c | 9.3987 ± 0.0017 Å |
| α | 90° |
| β | 99.651 ± 0.003° |
| γ | 90° |
| Cell volume | 714.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181253 (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 2/23/31. |
2233136.cif 2233136.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. |
2233136.cif 2233136.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233136.cif 2233136.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. | 2233136.cif 2233136.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233136.cif 2233136.hkl |
| 32193 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233136 via cif-deposit CGI script. |
2233136.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.