Information card for entry 7121628

Structure parameters

• Formula: C20 H16 N2
• Calculated formula: C20 H16 N2
• Title of publication: Covalent switching, involving divinylbenzene ligands within 3D coordination polymers, indicated by changes in fluorescence.
• Authors of publication: Li, Ni-Ya; Liu, Dong; Abrahams, Brendan F.; Lang, Jian-Ping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 46
• Pages of publication: 5831 - 5834
• a: 11.883 ± 0.002 Å
• b: 6.3386 ± 0.0013 Å
• c: 20.211 ± 0.004 Å
• α: 90°
• β: 92.61 ± 0.03°
• γ: 90°
• Cell volume: 1520.7 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.109
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No