Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4501777
Preview
| Coordinates | 4501777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H24 Co N14 O6 |
|---|---|
| Calculated formula | C28 H24 Co N14 O6 |
| SMILES | [OH2][Co]([n]1ccc(c2nnc(c3ccncc3)o2)cc1)([n]1ccc(c2nnc(c3ccncc3)o2)cc1)(N=C=NC#N)(N=C=NC#N)[OH2].O.O |
| Title of publication | Coordination Assemblies of CoII/CuII/ZnII/CdIIwith 2,5-Bipyridyl-1,3,4-Oxadiazole and Dicyanamide Anion: Structural Diversification and Properties |
| Authors of publication | Du, Miao; Wang, Qian; Li, Cheng-Peng; Zhao, Xiao-Jun; Ribas, Joan |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 7 |
| Pages of publication | 3285 |
| a | 15.047 ± 0.004 Å |
| b | 7.189 ± 0.002 Å |
| c | 15.349 ± 0.005 Å |
| α | 90° |
| β | 109.714 ± 0.004° |
| γ | 90° |
| Cell volume | 1563 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4501777.cif |
| 179548 | 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 4/50/17. |
4501777.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 {}' |
4501777.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501777.cif |
| 36103 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501773, 4501774, 4501775, 4501776, 4501777, 4501778, 4501779, 4501780 via cif-deposit CGI script. |
4501777.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.