Information card for entry 4323843

Structure parameters

• Chemical name: 2,2'-Dipyridyldiselenide:Bis(pentafluorophenyl)mercury(II) 1:1
• Formula: C22 H8 F10 Hg N2 Se2
• Calculated formula: C22 H8 F10 Hg N2 Se2
• SMILES: Fc1c([Hg]c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F.[Se](c1ccccn1)[Se]c1ncccc1
• Title of publication: Coordination Chemistry of 2,2'-Dipyridyl Diselenide: X-ray Crystal Structures of PySeSePy, [Zn(PySeSePddy)Cl~2~], [(PySeSePy):Hg(C~6~F~5~)~2~], [Mo(SePy)~2~(CO)~3~], [W(SePy)~2~(CO)~3~], and [Fe(SePy)~2~(CO)~2~] (PySeSePy = C~5~H~4~NSeSeC~5~H~4~N; SePy = [C~5~H~4~N(2-Se)-N,Se])
• Authors of publication: Carsten O. Kienitz; Carsten Thöne; Peter G. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 3990 - 3997
• a: 7.3725 ± 0.001 Å
• b: 5.9974 ± 0.0014 Å
• c: 25.573 ± 0.003 Å
• α: 90°
• β: 98.037 ± 0.01°
• γ: 90°
• Cell volume: 1119.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0393
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.0781
• Goodness-of-fit parameter for all reflections: 0.992
• Goodness-of-fit parameter for significantly intense reflections: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No