Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2018908
Preview
| Coordinates | 2018908.cif |
|---|---|
| Structure factors | 2018908.hkl |
| Original IUCr paper | HTML |
| Common name | magnesium chromate undecahydrate |
|---|---|
| Chemical name | Hexaaquamagnesium(II) chromate pentahydrate |
| Formula | Cr H22 Mg O15 |
| Calculated formula | Cr H22 Mg O15 |
| SMILES | [Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Cr](=O)(=O)([O-])[O-].O.O.O.O.O |
| Title of publication | MgSO~4~·11H~2~O and MgCrO~4~·11H~2~O based on time-of-flight neutron single-crystal Laue data |
| Authors of publication | Fortes, A. Dominic; Wood, Ian G.; Gutmann, Matthias J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | 324 - 329 |
| a | 6.7721 ± 0.0018 Å |
| b | 6.917 ± 0.002 Å |
| c | 17.41 ± 0.005 Å |
| α | 88.21 ± 0.02° |
| β | 89.43 ± 0.02° |
| γ | 62.768 ± 0.018° |
| Cell volume | 724.8 ± 0.4 Å3 |
| Cell temperature | 10 ± 2 K |
| Ambient diffraction temperature | 10 ± 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 | 0.083 |
| Residual factor for significantly intense reflections | 0.083 |
| Weighted residual factors for significantly intense reflections | 0.2236 |
| Weighted residual factors for all reflections included in the refinement | 0.2236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (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 2/01/89. |
2018908.cif 2018908.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. |
2018908.cif 2018908.hkl |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
2018908.cif 2018908.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018908.cif 2018908.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018908.cif 2018908.hkl |
| 85396 | 2013-05-07 | cif/ Adding structures of 2018907, 2018908 via cif-deposit CGI script. |
2018908.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.