Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4503088
Preview
| Coordinates | 4503088.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 Cd N2 O6 |
|---|---|
| Calculated formula | C10 H10 Cd N2 O6 |
| Title of publication | Controllable Congregating of Homochiral and Achiral Coordination Polymers: Cadmium(II) Pyridine-2,4,6-Tricarboxylate Species with Double-Helical Strand and Molecular Building Block Structures |
| Authors of publication | Zou, Ru-Qiang; Zhong, Rui-Qin; Du, Miao; Pandey, Daya S.; Xu, Qiang |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 2 |
| Pages of publication | 452 |
| a | 9.1907 ± 0.0013 Å |
| b | 9.1907 ± 0.0013 Å |
| c | 12.759 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 933.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.0152 |
| Residual factor for significantly intense reflections | 0.0151 |
| Weighted residual factors for significantly intense reflections | 0.0374 |
| Weighted residual factors for all reflections included in the refinement | 0.0375 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179561 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/30. |
4503088.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 {}' |
4503088.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503088.cif |
| 41344 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503088 via cif-deposit CGI script. |
4503088.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.