Information card for entry 8101935

Structure parameters

• Chemical name: 2,2':6',2"-terpyridine 1,1"-dioxide 1,2,4,5-tetracyanobenzene
• Formula: C25 H13 N7 O2
• Calculated formula: C25 H13 N7 O2
• Title of publication: Crystal structure of 2,2':6',2''-terpyridine 1,1''-dioxide 1,2,4,5- tetracyanobenzene, C~15~H~11~N~3~O~2~ · C~6~H~4~(CN)~4~
• Authors of publication: McKay, S. E.; Wheeler, K. A.; Holthouse, B.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 91 - 92
• a: 24.404 ± 0.003 Å
• b: 6.4871 ± 0.0011 Å
• c: 13.4873 ± 0.0018 Å
• α: 90°
• β: 108.289 ± 0.012°
• γ: 90°
• Cell volume: 2027.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No