Information card for entry 4309506

Structure parameters

• Common name: 1:1 trimeric perfluoro-o-phenylene mercury:NIT-Ph
• Formula: C31 H17 F12 Hg3 N2 O2
• Calculated formula: C31 H17 F12 Hg3 N2 O2
• Title of publication: Coordination of Nitroxide and Nitronyl-nitroxide Organic Radicals to Trimeric Perfluoro-o-phenylene Mercury
• Authors of publication: Mason R. Haneline; François P. Gabbaï
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6248 - 6255
• a: 11.559 ± 0.003 Å
• b: 11.559 ± 0.003 Å
• c: 44.627 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5164 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No