Information card for entry 7233298

Structure parameters

• Formula: C38 H32 N12
• Calculated formula: C38 H32 N12
• Title of publication: Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof
• Authors of publication: Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 36
• Pages of publication: 5500
• a: 7.85 ± 0.01 Å
• b: 16.3 ± 0.01 Å
• c: 27.56 ± 0.01 Å
• α: 90°
• β: 91.9 ± 0.01°
• γ: 90°
• Cell volume: 3525 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 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: 0.3751
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.624
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No