Information card for entry 7205215

Structure parameters

• Formula: C12 F8 Hg N2 O4
• Calculated formula: C12 F8 Hg N2 O4
• Title of publication: A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials
• Authors of publication: Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 88
• a: 12.7462 ± 0.0003 Å
• b: 8.5095 ± 0.0002 Å
• c: 13.1712 ± 0.0003 Å
• α: 90°
• β: 105.339 ± 0.001°
• γ: 90°
• Cell volume: 1377.71 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No