Information card for entry 4504944

Structure parameters

• Common name: 1G (PBA)(C6(CN)6)
• Formula: C26 H20 N10
• Calculated formula: C26 H20 N10
• Title of publication: Structural Transference and Regulation of Bimodal Assembly of Charge-Assisted Hydrogen-Bonded Networks
• Authors of publication: Lee, Sang-Ok; Shacklady, Danielle M.; Horner, Matthew J.; Ferlay, Sylvie; Hosseini, Mir W.; Ward, Michael D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 995
• a: 6.6656 ± 0.0006 Å
• b: 8.2082 ± 0.0007 Å
• c: 22.476 ± 0.002 Å
• α: 83.327 ± 0.001°
• β: 82.168 ± 0.002°
• γ: 84.308 ± 0.002°
• Cell volume: 1205.65 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No