Information card for entry 4112616

Structure parameters

• Formula: C108 H76 F8 N8
• Calculated formula: C108 H76 F8 N8
• Title of publication: Definitive Evidence for the Contribution of Biradical Character in a Closed-Shell Molecule, Derivative of 1,4-Bis-(4,5-diphenylimidazol-2-ylidene)cyclohexa-2,5-diene
• Authors of publication: Azusa Kikuchi; Fumiyasu Iwahori; Jiro Abe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6526 - 6527
• a: 11.98 ± 0.003 Å
• b: 13.445 ± 0.004 Å
• c: 14.468 ± 0.005 Å
• α: 87.5 ± 0.01°
• β: 87.78 ± 0.01°
• γ: 65.182 ± 0.009°
• Cell volume: 2112.6 ± 1.1 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.404
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No