Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4505096
Preview
| Coordinates | 4505096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | {[cu2(l)4(h2o)4].cl4.(h2o)5.(aceton)}n |
|---|---|
| Formula | C31 H56 Cl4 Cu2 N16 O10 |
| Calculated formula | C31 H34.04 Cl4 Cu2 N16 O10 |
| Title of publication | Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands |
| Authors of publication | Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2005 |
| Journal volume | 5 |
| Journal issue | 5 |
| Pages of publication | 1775 |
| a | 12.1263 ± 0.0016 Å |
| b | 12.1263 ± 0.0016 Å |
| c | 17.632 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2592.7 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 138 |
| Hermann-Mauguin space group symbol | P 42/n c m :2 |
| Hall space group symbol | -P 4ac 2ac |
| Residual factor for all reflections | 0.1089 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1625 |
| Weighted residual factors for all reflections included in the refinement | 0.191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179585 (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 4/50/50. |
4505096.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 {}' |
4505096.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505096.cif |
| 50162 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4505095, 4505096, 4505097, 4505098, 4505099, 4505100, 4505101, 4505102 via cif-deposit CGI script. |
4505096.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.