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Information card for entry 4122102
Preview
| Coordinates | 4122102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C103 H176 Cr7 F3 N2 O38 Zn |
|---|---|
| Calculated formula | C103 H176 Cr7 F3 N2 O38 Zn |
| Title of publication | A Detailed Study of the Magnetism of Chiral {Cr7M} Rings: An Investigation into Parametrization and Transferability of Parameters. |
| Authors of publication | Garlatti, Elena; Albring, Morten A.; Baker, Michael L.; Docherty, Rebecca J.; Mutka, Hannu; Guidi, Tatiana; Garcia Sakai, Victoria; Whitehead, George F. S.; Pritchard, Robin G.; Timco, Grigore A.; Tuna, Floriana; Amoretti, Giuseppe; Carretta, Stefano; Santini, Paolo; Lorusso, Giulia; Affronte, Marco; McInnes, Eric J. L.; Collison, David; Winpenny, Richard E. P. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 27 |
| Pages of publication | 9763 - 9772 |
| a | 17.0832 ± 0.0003 Å |
| b | 26.3313 ± 0.0005 Å |
| c | 30.349 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13651.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0629 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4122102.cif |
| 121263 | 2014-08-05 | cif/ Updating files of 4122102, 4122103 Original log message: Adding full bibliography for 4122102--4122103.cif. |
4122102.cif |
| 118193 | 2014-06-27 | cif/ Adding structures of 4122102 via cif-deposit CGI script. |
4122102.cif |
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Users of the data should acknowledge the original authors of the
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