Information card for entry 4107429

Structure parameters

• Formula: C42 H28 N6
• Calculated formula: C42 H28 N6
• SMILES: c1(ccc(cc1)c1cc(nc(c1)c1ncccc1)c1ncccc1)c1ccc(cc1)c1cc(nc(c1)c1ncccc1)c1ncccc1
• Title of publication: Metallosupramolecular Polyelectrolytes Self-Assembled from Various Pyridine Ring-Substituted Bisterpyridines and Metal Ions: Photophysical, Electrochemical, and Electrochromic Properties
• Authors of publication: Fu She Han; Masayoshi Higuchi; Dirk G. Kurth
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2073 - 2081
• a: 28.02 ± 0.0012 Å
• b: 10.6337 ± 0.0003 Å
• c: 10.9221 ± 0.0004 Å
• α: 90°
• β: 100.33 ± 0.003°
• γ: 90°
• Cell volume: 3201.6 ± 0.2 ų
• Cell temperature: 110.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No