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Information card for entry 7201338
Preview
| Coordinates | 7201338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H68 Cl10 Cu3 Fe2 N16 O6 |
|---|---|
| Calculated formula | C80 H68 Cl10 Cu3 Fe2 N16 O6 |
| SMILES | c1[n]2[Fe]345([n]6c(c7[n]3cccc7)cc(cc6c2ccc1)c1cc[n](cc1)[Cu]([n]1ccc(c2cc3c6cccc[n]6[Fe]678([n]3c(c2)c2[n]6cccc2)[n]2ccccc2c2[n]7c(cc(c2)c2cc[n](cc2)[Cu](Cl)(Cl)Cl)c2[n]8cccc2)cc1)([OH2])([OH2])(Cl)Cl)[n]1ccccc1c1[n]4c(cc(c1)c1cc[n](cc1)[Cu](Cl)(Cl)Cl)c1[n]5cccc1.O.O.[Cl-].O.O.[Cl-] |
| Title of publication | Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts |
| Authors of publication | Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 2406 |
| a | 11.894 ± 0.002 Å |
| b | 13.086 ± 0.003 Å |
| c | 14.509 ± 0.003 Å |
| α | 108.38 ± 0.03° |
| β | 105.6 ± 0.03° |
| γ | 96.33 ± 0.03° |
| Cell volume | 2016.6 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0985 |
| Residual factor for significantly intense reflections | 0.0789 |
| Weighted residual factors for significantly intense reflections | 0.1946 |
| Weighted residual factors for all reflections included in the refinement | 0.2082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7201338.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201338.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201338.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201338.cif |
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