Information card for entry 4348568

Structure parameters

• Formula: C18 H20 N4
• Calculated formula: C18 H20 N4
• SMILES: c1ccc(cn1)/C=N/C1CCC(CC1)/N=C/c1cccnc1
• Title of publication: Two-Dimensional Frameworks Based on Ag(I)-N Bond Formation: Single Crystal to Single Molecular Sheet Transformation.
• Authors of publication: Lamming, Glenn; El-Zubir, Osama; Kolokotroni, James; McGurk, Christopher; Waddell, Paul G.; Probert, Michael R.; Houlton, Andrew
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 19
• Pages of publication: 9644 - 9652
• a: 6.0581 ± 0.0004 Å
• b: 5.5638 ± 0.0004 Å
• c: 23.2277 ± 0.0014 Å
• α: 90°
• β: 93.8144 ± 0.0019°
• γ: 90°
• Cell volume: 781.18 ± 0.09 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0427
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No