Information card for entry 7219596

Structure parameters

• Formula: C18 H14 N4
• Calculated formula: C18 H14 N4
• SMILES: N(=Nc1ccccc1N=Nc1ccccc1)c1ccccc1
• Title of publication: Insight into Luminescent Bisazoaromatic CNN Pincer Palladacycle: Synthesis, Structure, Electrochemistry and Some Catalytic Applications in C‒C Coupling
• Authors of publication: Roy, Sima; Pramanik, Shuvam; Ghorui, Tapas; Pramanik, Kausikisankar
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.1369 ± 0.0002 Å
• b: 17.8053 ± 0.0004 Å
• c: 9.7509 ± 0.0002 Å
• α: 90°
• β: 108.457 ± 0.001°
• γ: 90°
• Cell volume: 1504.73 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No