Information card for entry 4327797

Structure parameters

• Formula: C14 H12 N4
• Calculated formula: C14 H12 N4
• SMILES: c1(c([nH]nc1c1ncccc1)c1ncccc1)C
• Title of publication: Synthesis, Structure, and Electronic Properties of RuN6 Dinuclear Ru-Hbpp Complexes
• Authors of publication: Stephan Roeser; Mehmed Z. Ertem; Clyde Cady; Rainer Lomoth; Jordi Benet-Buchholz; Leif Hammarström; Biprajit Sarkar; Wolfgang Kaim; Christopher J. Cramer; Antoni Llobet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 320 - 327
• a: 11.3145 ± 0.0013 Å
• b: 11.7552 ± 0.0015 Å
• c: 17.525 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2330.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No