Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019020
Preview
| Coordinates | 2019020.cif |
|---|---|
| Structure factors | 2019020.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) 1-[4-(1<i>H</i>-imidazol-1-yl)butyl]-1<i>H</i>-imidazol-3-ium tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI) dihydrate |
|---|---|
| Formula | C20 H34 Mo12 N8 O42 P |
| Calculated formula | C20 H34 Mo12 N8 O42 P |
| Title of publication | Two polyoxometallate-based supramolecular compounds influenced by the ratio between the polyoxometallate anion and organic cation |
| Authors of publication | Zhang, Qian; Liu, Jie; Lu, Jing; Gong, Shu-Wen |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | 588 - 593 |
| a | 11.235 ± 0.0012 Å |
| b | 11.7211 ± 0.0013 Å |
| c | 11.8459 ± 0.0013 Å |
| α | 102.194 ± 0.001° |
| β | 98.184 ± 0.001° |
| γ | 115.998 ± 0.002° |
| Cell volume | 1320.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0711 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1069 |
| Weighted residual factors for all reflections included in the refinement | 0.1226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (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 2/01/90. |
2019020.cif 2019020.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. |
2019020.cif 2019020.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. |
2019020.cif 2019020.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2019020.cif 2019020.hkl |
| 86818 | 2013-07-11 | cif/ Adding structures of 2019019, 2019020 via cif-deposit CGI script. |
2019020.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.