Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4509231
Preview
| Coordinates | 4509231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H24 Cd3 Cl2 Hg0 N16 O4 Zn0 |
|---|---|
| Calculated formula | C12 H24 Cd3 Cl2 N16 O4 |
| Title of publication | Zinc and Cadmium Coordination Polymers with Bis(tetrazole) Ligands Bearing Flexible Spacers: Synthesis, Crystal Structures, and Properties |
| Authors of publication | Tong, Xiao-Lan; Wang, Duo-Zhi; Hu, Tong-Liang; Song, Wei-Chao; Tao, Ying; Bu, Xian-He |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 5 |
| Pages of publication | 2280 |
| a | 7.8724 ± 0.0016 Å |
| b | 17.206 ± 0.003 Å |
| c | 9.2884 ± 0.0019 Å |
| α | 90° |
| β | 98.1 ± 0.03° |
| γ | 90° |
| Cell volume | 1245.6 ± 0.4 Å3 |
| Cell temperature | 113.15 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 8 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0746 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.217 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179628 (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 4/50/92. |
4509231.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 {}' |
4509231.cif |
| 97170 | 2014-01-29 | cif/ Adding structures of 4509225, 4509226, 4509227, 4509228, 4509229, 4509230, 4509231 via cif-deposit CGI script. |
4509231.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.