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Information card for entry 1515517
Preview
| Coordinates | 1515517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H49 Cl10.667 Fe4 N9 O4 |
|---|---|
| Calculated formula | C47 H43 Cl10.668 Fe4 N9 O4 |
| Title of publication | Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine |
| Authors of publication | Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D. |
| Journal of publication | Chemical Science |
| Year of publication | 2011 |
| Journal volume | 2 |
| Journal issue | 3 |
| Pages of publication | 540 |
| a | 29.669 ± 0.0003 Å |
| b | 29.669 ± 0.0003 Å |
| c | 29.669 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 26116.1 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 196 |
| Hermann-Mauguin space group symbol | F 2 3 |
| Hall space group symbol | F 2 2 3 |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1299 |
| Weighted residual factors for all reflections included in the refinement | 0.1456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192777 (current) | 2017-03-02 | cod/ Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the 'cod-tools' repository (rev. 5000). The correction was mainly focused on removing misspelt versions of the '_symmetry_Int_Tables' and '_space_group_IT_number' data items. |
1515517.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1515517.cif |
| 111844 | 2014-04-28 | cif/ Adding structures of 1515517, 1515518 via cif-deposit CGI script. |
1515517.cif |
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Users of the data should acknowledge the original authors of the
structural data.