Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4339109
Preview
| Coordinates | 4339109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H23 Co0.5 N3 O15 P0.5 Si2 Zr2 |
|---|---|
| Calculated formula | C4 H8 Co0.5 N3 O15 P0.5 Si2 Zr2 |
| Title of publication | Synthesis, structure, and photoluminescence property of a new layered zirconium phosphate |Co(dien)(2)|[Zr(4)H(8)P(5)O(26)] x 3H(2)O. |
| Authors of publication | Du, Yu; Pan, Qinhe; Li, Jiyang; Yu, Jihong; Xu, Ruren |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 15 |
| Pages of publication | 5847 - 5851 |
| a | 12.1149 ± 0.0011 Å |
| b | 8.8183 ± 0.0008 Å |
| c | 17.3298 ± 0.0016 Å |
| α | 90° |
| β | 107.997 ± 0.002° |
| γ | 90° |
| Cell volume | 1760.8 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0875 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4339109.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4339109.cif |
| 117144 | 2014-06-14 | cif/ Adding structures of 4339109 via cif-deposit CGI script. |
4339109.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.