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Information card for entry 7017061
Preview
| Coordinates | 7017061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44.7 H56.3 N12.9 O18.9 Pr Zn3 |
|---|---|
| Calculated formula | C44.7 H56.3 N12.9 O18.9 Pr Zn3 |
| Title of publication | A family of 13 tetranuclear zinc(ii)-lanthanide(iii) complexes of a [3 + 3] Schiff-base macrocycle derived from 1,4-diformyl-2,3-dihydroxybenzene. |
| Authors of publication | Feltham, Humphrey L. C.; Klöwer, Frederik; Cameron, Scott A.; Larsen, David S.; Lan, Yanhua; Tropiano, Manuel; Faulkner, Stephen; Powell, Annie K.; Brooker, Sally |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 43 |
| Pages of publication | 11425 - 11432 |
| a | 12.6867 ± 0.0014 Å |
| b | 14.948 ± 0.0018 Å |
| c | 15.631 ± 0.002 Å |
| α | 67.354 ± 0.006° |
| β | 89.08 ± 0.006° |
| γ | 76.787 ± 0.005° |
| Cell volume | 2654.8 ± 0.6 Å3 |
| Cell temperature | 92 ± 2 K |
| Ambient diffraction temperature | 92 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7017061.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017061.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017061.cif |
| 30030 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7017060, 7017061 via cif-deposit CGI script. |
7017061.cif |
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Users of the data should acknowledge the original authors of the
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