Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108627
Preview
| Coordinates | 4108627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4 |
|---|---|
| Formula | C238 H273 Cl6 Cu6 N35 O54.5 S6 |
| Calculated formula | C237.99 H272.94 Cl5.995 Cu6 N34.995 O53.97 S6 |
| Title of publication | Onion-Shell Metal-Organic Polyhedra (MOPs): A General Approach to Decorate the Exteriors of MOPs using Principles of Supramolecular Chemistry |
| Authors of publication | Tamara D. Hamilton; Giannis S. Papaefstathiou; Tomislav Friščić; Dejan-Krešimir Bučar; Leonard R. MacGillivray |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 14366 - 14367 |
| a | 32.104 ± 0.005 Å |
| b | 32.104 ± 0.005 Å |
| c | 46.061 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 41113 ± 12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.1328 |
| Residual factor for significantly intense reflections | 0.0854 |
| Weighted residual factors for significantly intense reflections | 0.2184 |
| Weighted residual factors for all reflections included in the refinement | 0.26 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215354 (current) | 2019-05-21 | cif/ Removed the _cod_suboptimal_structure data item in preparation for its deprecation. The fact that the structure is a suboptimal one should be derived from the presence of the _cod_related_optimal_struct data item. |
4108627.cif |
| 212005 | 2018-11-16 | cif/4/10/ Replacing the long forms of the _cod_related_optimal_structure and _cod_related_optimal_structure data names with their shorter equivalents that are formally defined in the 'cif_cod' dictionary in entries 4108591, 4108592, 4108627, 4108628. |
4108627.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. |
4108627.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108627.cif |
| 57021 | 2012-05-16 | cif/ Updating files of 4108627 Original log message: This is the suppossed optimal structure, hence _cod_suboptimal_structure has been set to no |
4108627.cif |
| 57020 | 2012-05-16 | smi/5 and cif/7 Adding a few SMILES of subdir 5 Also manually adjusting some "suboptimals" CIF files. |
4108627.cif |
| 56992 | 2012-05-16 | cif/ Adding structures of 4108627 via cif-deposit CGI script. |
4108627.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.