Information card for entry 7051707

Structure parameters

• Formula: C15 H14 N4
• Calculated formula: C15 H14 N4
• SMILES: CC1=C(C#N)C(C(=C(C)N1)C#N)c1cccc(C)n1
• Title of publication: Self-assembly of two-dimensional coordination polymers from AgX (X = BF4−, ClO4−, NO3− and PF6−) and 2,6-dimethyl-3,5-dicyano-4-(6-methyl-2-pyridyl)-1,4-dihydropyridine
• Authors of publication: Suen, Maw-Cherng; Yeh, Chun-Wei; Ho, Yuh-Wen; Wang, Ju-Chun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 2419
• a: 11.3722 ± 0.0019 Å
• b: 15.558 ± 0.004 Å
• c: 15.257 ± 0.003 Å
• α: 90°
• β: 94.475 ± 0.01°
• γ: 90°
• Cell volume: 2691.2 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1714
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No