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Information card for entry 7025111
Preview
| Coordinates | 7025111.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H8 N4 |
|---|---|
| Calculated formula | C11 H8 N4 |
| SMILES | n1ccccc1c1nnc2n1cccc2 |
| Title of publication | Triazolopyridines as ligands: structural diversity in iron(II), cobalt(II), nickel(II) and copper(II) complexes of 3-(2-pyridyl)-[1,2,4]triazolo[4,3-a]- pyridine (L¹⁰) and spin crossover in [Fe(II)(L¹⁰)₂(NCS)₂]. |
| Authors of publication | Klingele, Julia; Kaase, Dominic; Hilgert, Jakob; Steinfeld, Gunther; Klingele, Marco H.; Lach, Jochen |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 19 |
| Pages of publication | 4495 - 4507 |
| a | 7.6616 ± 0.0015 Å |
| b | 7.6757 ± 0.0015 Å |
| c | 17.818 ± 0.004 Å |
| α | 80.28 ± 0.03° |
| β | 89.82 ± 0.03° |
| γ | 62.16 ± 0.03° |
| Cell volume | 909.8 ± 0.4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 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 | 0.1074 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1619 |
| Weighted residual factors for all reflections included in the refinement | 0.2045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179956 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/51. |
7025111.cif |
| 92846 | 2014-01-12 | cif/ Adding structures of 7025102, 7025103, 7025104, 7025105, 7025106, 7025107, 7025108, 7025109, 7025110, 7025111, 7025112, 7025113, 7025114 via cif-deposit CGI script. |
7025111.cif |
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Users of the data should acknowledge the original authors of the
structural data.