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Information card for entry 7207134
Preview
| Coordinates | 7207134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H19 N3 |
|---|---|
| Calculated formula | C19 H19 N3 |
| SMILES | n1ccc(cc1)c1nc(cc(c1)C(C)(C)C)c1ccncc1 |
| Title of publication | Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing |
| Authors of publication | Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 2 |
| Pages of publication | 446 |
| a | 9.0269 ± 0.0009 Å |
| b | 10.144 ± 0.001 Å |
| c | 10.6092 ± 0.0011 Å |
| α | 62.324 ± 0.006° |
| β | 65.248 ± 0.006° |
| γ | 70.093 ± 0.006° |
| Cell volume | 768.3 ± 0.14 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0723 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for all reflections | 0.1785 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0621 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207134.cif |
| 180402 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/71. |
7207134.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207134.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7207134.cif |
| 32486 | 2012-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7207131, 7207132, 7207133, 7207134 via cif-deposit CGI script. |
7207134.cif |
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