Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2018710
Preview
| Coordinates | 2018710.cif |
|---|---|
| Structure factors | 2018710.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dipotassium dihydrogen hypodiphosphate monohydrate |
|---|---|
| Formula | H4 K2 O7 P2 |
| Calculated formula | H4 K2 O7 P2 |
| SMILES | [K+].[K+].P(=O)(P(=O)([O-])O)([O-])O.O |
| Title of publication | Potassium salts of hypodiphosphoric acid |
| Authors of publication | Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | i71 - i82 |
| a | 10.021 ± 0.003 Å |
| b | 7.645 ± 0.002 Å |
| c | 10.229 ± 0.003 Å |
| α | 90° |
| β | 92.18 ± 0.04° |
| γ | 90° |
| Cell volume | 783.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0224 |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0503 |
| Weighted residual factors for all reflections included in the refinement | 0.051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180856 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/87. |
2018710.cif 2018710.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018710.cif 2018710.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018710.cif 2018710.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. | 2018710.cif 2018710.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018710.cif 2018710.hkl |
| 71126 | 2013-01-18 | cif/ Adding structures of 2018709, 2018710, 2018711, 2018712, 2018713, 2018714 via cif-deposit CGI script. |
2018710.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.