Information card for entry 7242365

Structure parameters

• Formula: C18 H12 Cs N5 O
• Calculated formula: C18 H12 Cs N5 O
• Title of publication: Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties
• Authors of publication: Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 15
• Pages of publication: 2816 - 2824
• a: 12.1276 ± 0.0004 Å
• b: 7.2781 ± 0.0002 Å
• c: 20.5686 ± 0.0008 Å
• α: 90°
• β: 100.77 ± 0.003°
• γ: 90°
• Cell volume: 1783.53 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No