Information card for entry 4313555

Structure parameters

• Formula: C20 H14 N6
• Calculated formula: C20 H14 N6
• SMILES: c1cc(cnc1c1ccccn1)/N=N/c1ccc(c2ccccn2)nc1
• Title of publication: Synthesis and Structural, Electrochemical, and Optical Properties of Ru(II) Complexes with Azobis(2,2'-bipyridine)s
• Authors of publication: Joe Otsuki; Nobuyuki Omokawa; Kenji Yoshiba; Isao Yoshikawa; Tetsuo Akasaka; Tomoyoshi Suenobu; Toshio Takido; Koji Araki; Shunichi Fukuzumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3057 - 3066
• a: 22.495 ± 0.001 Å
• b: 6.256 ± 0.0003 Å
• c: 23.699 ± 0.001 Å
• α: 90°
• β: 166.325 ± 0.001°
• γ: 90°
• Cell volume: 788.47 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No