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Information card for entry 4310121
Preview
| Coordinates | 4310121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H28 N6 |
|---|---|
| Calculated formula | C36 H28 N6 |
| SMILES | c1ccc(c2cc(c3cc(ccn3)c3cc(ccc3)/N=N/c3ccc(cc3)C)ncc2)cc1/N=N/c1ccc(cc1)C |
| Title of publication | UV-Vis, NMR, and Time-Resolved Spectroscopy Analysis of Photoisomerization Behavior of Three- and Six-Azobenzene-Bound Tris(bipyridine)cobalt Complexes |
| Authors of publication | Kyoko Yamaguchi; Shoko Kume; Kosuke Namiki; Masaki Murata; Naoto Tamai; Hiroshi Nishihara |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 9056 - 9067 |
| a | 14.879 ± 0.013 Å |
| b | 9.772 ± 0.008 Å |
| c | 9.608 ± 0.008 Å |
| α | 90° |
| β | 98.611 ± 0.011° |
| γ | 90° |
| Cell volume | 1381 ± 2 Å3 |
| Cell temperature | 113 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.1629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4310121.cif |
| 179140 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/01. |
4310121.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310121.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310121.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4310121.cif |
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Users of the data should acknowledge the original authors of the
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