Information card for entry 1558055

Structure parameters

• Formula: C16 H12 N4
• Calculated formula: C16 H12 N4
• Title of publication: Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.
• Authors of publication: Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina
• Journal of publication: Nanoscale
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 11601 - 11611
• a: 7.963 ± 0.002 Å
• b: 8.349 ± 0.002 Å
• c: 9.742 ± 0.002 Å
• α: 90°
• β: 111.776 ± 0.004°
• γ: 90°
• Cell volume: 601.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No