Information card for entry 4309504

Structure parameters

• Common name: trimeric perfluoro-o-phenylene mercury TEMPO adduct
• Formula: C27 H18 F12 Hg3 N O
• Calculated formula: C27 H18 F12 Hg3 N O
• SMILES: [Hg]12[O]3([Hg](c4c2c(F)c(F)c(F)c4F)c2c([Hg]3c3c1c(F)c(F)c(F)c3F)c(F)c(F)c(F)c2F)N1C(CCCC1(C)C)(C)C
• 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: 10.263 ± 0.002 Å
• b: 12.009 ± 0.002 Å
• c: 12.669 ± 0.003 Å
• α: 87.16 ± 0.03°
• β: 70.83 ± 0.03°
• γ: 74.77 ± 0.03°
• Cell volume: 1421.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No