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Information card for entry 4108628
Preview
| Coordinates | 4108628.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C164 H152 Cu6 F36 N24 O44 S12 |
|---|---|
| Calculated formula | C163.94 H151.68 Cu6 F35.04 N24 O42.96 S12.02 |
| 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 | 20.846 ± 0.003 Å |
| b | 20.846 ± 0.003 Å |
| c | 50.333 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 18942 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1355 |
| Residual factor for significantly intense reflections | 0.1181 |
| Weighted residual factors for significantly intense reflections | 0.3458 |
| Weighted residual factors for all reflections included in the refinement | 0.36 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.204 |
| 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. |
4108628.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. |
4108628.cif |
| 178832 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/86. |
4108628.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108628.cif |
| 57022 | 2012-05-16 | cif/ Updating files of 4108628 Original log message: This is supossed to be the optimal structure, hence the '_cod_suboptimal_structure' tag has been set to "no" |
4108628.cif |
| 56993 | 2012-05-16 | cif/ Adding structures of 4108628 via cif-deposit CGI script. |
4108628.cif |
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Users of the data should acknowledge the original authors of the
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