Information card for entry 4504945

Structure parameters

• Common name: 2Y (EBA)(C6(CN)6)
• Formula: C22 H20 N10
• Calculated formula: C22 H20 N10
• SMILES: C1(C(=C(C#N)C#N)C1=C(C#N)C#N)=C(C#N)C#N.C1CCNC(=[NH+]1)CCC1=[NH+]CCCN1
• 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: 5.746 ± 0.002 Å
• b: 11.867 ± 0.005 Å
• c: 16.084 ± 0.006 Å
• α: 90°
• β: 90.473 ± 0.005°
• γ: 90°
• Cell volume: 1096.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No