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Information card for entry 7201336
Preview
| Coordinates | 7201336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H16 Cl2 Cu N4 O |
|---|---|
| Calculated formula | C20 H16 Cl2 Cu N4 O |
| SMILES | c1cccc2c3cc(cc4c5cccc[n]5[Cu](Cl)(Cl)([n]12)[n]34)c1cccnc1.O |
| 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 | 8.6108 ± 0.0009 Å |
| b | 14.2027 ± 0.0013 Å |
| c | 15.6746 ± 0.0014 Å |
| α | 88.347 ± 0.007° |
| β | 78.786 ± 0.008° |
| γ | 78.373 ± 0.008° |
| Cell volume | 1841.7 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0324 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| 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. |
7201336.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201336.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201336.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201336.cif |
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