Information card for entry 4310121

Structure parameters

• 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 ų
• 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