Information card for entry 4337591

Structure parameters

• Formula: C28 H15 Cu F12 N4 O4
• Calculated formula: C28 H15 Cu F12 N4 O4
• Title of publication: 1-Phenyl-3-(pyrid-2-yl)benzo[e][1,2,4]triazinyl: the first "Blatter radical" for coordination chemistry.
• Authors of publication: Morgan, Ian S.; Peuronen, Anssi; Hänninen, Mikko M; Reed, Robert W.; Clérac, Rodolphe; Tuononen, Heikki M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 33 - 35
• a: 29.6356 ± 0.0007 Å
• b: 12.609 ± 0.0003 Å
• c: 17.3227 ± 0.0004 Å
• α: 90°
• β: 111.937 ± 0.002°
• γ: 90°
• Cell volume: 6004.4 ± 0.3 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No