Information card for entry 7233297

Structure parameters

• Formula: C92 H96 N24
• Calculated formula: C92 H96 N24
• 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: 12.4174 ± 0.0002 Å
• b: 18.7937 ± 0.0004 Å
• c: 18.6491 ± 0.0004 Å
• α: 90°
• β: 90.148 ± 0.003°
• γ: 90°
• Cell volume: 4352.11 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No