Information card for entry 2239303

Structure parameters

• Chemical name: (μ~2~-2-Methoxyethanol-κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^3^)(2-methoxyethanol-κ<i>O</i>^1^)tris(μ~2~-3,4,5,6-tetrafluoro-<i>o</i>-phenylene-κ<i>C</i>)trimercury(II)
• Formula: C24 H16 F12 Hg3 O4
• Calculated formula: C24 H16 F12 Hg3 O4
• SMILES: [Hg]123[O](C)CC[O]1[Hg](c1c(F)c(F)c(F)c(F)c1[Hg]([OH]CCOC)c1c(F)c(F)c(F)c(F)c21)c1c3c(F)c(F)c(F)c1F
• Title of publication: (μ~2~-2-Methoxyethanol-κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^3^)(2-methoxyethanol-κ<i>O</i>^1^)tris(μ~2~-3,4,5,6-tetrafluoro-<i>o</i>-phenylene-κ^2^<i>C</i>^1^:<i>C</i>^2^)trimercury(II)
• Authors of publication: Castañeda, Raúl; Draguta, Sergiu; Yakovenko, Andrey; Fonari, Marina; Timofeeva, Tatiana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m164 - m165
• a: 10.17 ± 0.004 Å
• b: 12.623 ± 0.005 Å
• c: 12.962 ± 0.005 Å
• α: 113.45 ± 0.005°
• β: 110.411 ± 0.005°
• γ: 92.795 ± 0.005°
• Cell volume: 1396.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes