Information card for entry 4131058

Structure parameters

• Formula: C110 H112 B2 N8
• Calculated formula: C110 H112 B2 N8
• Title of publication: Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.
• Authors of publication: Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 46
• Pages of publication: 15126 - 15129
• a: 24.935 ± 0.0019 Å
• b: 11.6577 ± 0.0005 Å
• c: 34.387 ± 0.003 Å
• α: 90°
• β: 98.459 ± 0.008°
• γ: 90°
• Cell volume: 9887 ± 1.2 ų
• Cell temperature: 140.01 ± 0.11 K
• Ambient diffraction temperature: 140.01 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1783
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2568
• Weighted residual factors for all reflections included in the refinement: 0.3336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No