Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4321988
Preview
| Coordinates | 4321988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | {[Cd(mu-(3,6-bis(pyridin-3-yl)-1,2,4,5-tetrazine)(NO3)2(MeOH)2]}n |
|---|---|
| Formula | C14 H16 Cd N8 O8 |
| Calculated formula | C14 H16 Cd N8 O8 |
| Title of publication | Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers |
| Authors of publication | Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 2259 - 2266 |
| a | 9.011 Å |
| b | 9.338 Å |
| c | 11.941 Å |
| α | 74.51° |
| β | 86.96° |
| γ | 86.5° |
| Cell volume | 965.765 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0231 |
| Residual factor for significantly intense reflections | 0.0224 |
| Weighted residual factors for all reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0277 |
| Goodness-of-fit parameter for all reflections | 1.097 |
| Goodness-of-fit parameter for significantly intense reflections | 1.2341 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205229 (current) | 2018-01-15 | cif/4/32/19/ Setting the value of '_diffrn_ambient_temperature' to '150' for 4321988 and 4321991 as per original publication. |
4321988.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4321988.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 {}' |
4321988.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321988.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321988.cif |
| 19877 | 2011-05-30 | ../uploads/cif-deposit/cod/cif Adding structures of 4321988 via cif-deposit CGI script. |
4321988.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.