Information card for entry 4509406

Structure parameters

• Formula: C24 H36 N6
• Calculated formula: C24 H36 N6
• SMILES: C1C(=C(C#N)C#N)C=CC(=C(C#N)C#N)C=1.[NH+](CC)(CC)CC.C(C)[NH+](CC)CC
• Title of publication: A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations
• Authors of publication: Hudson, Timothy A.; Robson, Richard
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1658
• a: 6.9072 ± 0.0001 Å
• b: 13.6193 ± 0.0002 Å
• c: 13.112 ± 0.0002 Å
• α: 90°
• β: 101.128 ± 0.001°
• γ: 90°
• Cell volume: 1210.27 ± 0.03 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No