Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4338189
Preview
| Coordinates | 4338189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C128 H136 Cl8 Cu4 N32 O48 |
|---|---|
| Calculated formula | C128 H136 Cl8 Cu4 N32 O48 |
| Title of publication | Ferromagnetic Coupling in Copper(II) [2 ×2] Grid-like Complexes. |
| Authors of publication | Madalan, Augustin M.; Cao, Xiao-Yu; Rogez, Guillaume; Lehn, Jean-Marie |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 4275 - 4277 |
| a | 28.76 ± 0.002 Å |
| b | 16.635 ± 0.002 Å |
| c | 31.94 ± 0.003 Å |
| α | 90° |
| β | 105.286 ± 0.008° |
| γ | 90° |
| Cell volume | 14740 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1576 |
| Residual factor for significantly intense reflections | 0.0796 |
| Weighted residual factors for significantly intense reflections | 0.1882 |
| Weighted residual factors for all reflections included in the refinement | 0.2245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179484 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/81. |
4338189.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 {}' |
4338189.cif |
| 115772 | 2014-06-05 | cif/ Updating files of 4338188, 4338189 Original log message: Adding full bibliography for 4338188--4338189.cif. |
4338189.cif |
| 111431 | 2014-04-23 | cif/ Adding structures of 4338189 via cif-deposit CGI script. |
4338189.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.