Information card for entry 2241222

Structure parameters

• Chemical name: <i>cyclo</i>-Tris(μ-3,4,5,6-tetrafluoro-<i>o</i>-phenylene-κ^2^<i>C</i>^1^:<i>C</i>^2^)trimercury‒tetracyanoethylene (1/1)
• Formula: C24 F12 Hg3 N4
• Calculated formula: C24 F12 Hg3 N4
• SMILES: c12c(c(c(c(c1[Hg]c1c(c(F)c(c(c1[Hg]c1c([Hg]2)c(c(c(c1F)F)F)F)F)F)F)F)F)F)F.N#CC(=C(C#N)C#N)C#N
• Title of publication: Crystal structure of <i>cyclo</i>-tris(μ-3,4,5,6-tetrafluoro-<i>o</i>-phenylene-κ^2^<i>C</i>^1^:<i>C</i>^2^)trimercury‒tetracyanoethylene (1/1)
• Authors of publication: Castañeda, Raúl; Timofeeva, Tatiana V.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: 1375 - 1378
• a: 10.5658 ± 0.0011 Å
• b: 13.8297 ± 0.0015 Å
• c: 16.7166 ± 0.0018 Å
• α: 90°
• β: 90.575 ± 0.001°
• γ: 90°
• Cell volume: 2442.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes