Information card for entry 2014743

Structure parameters

• Chemical name: Diphenylmercury
• Formula: C12 H10 Hg
• Calculated formula: C12 H10 Hg
• SMILES: c1(ccccc1)[Hg]c1ccccc1
• Title of publication: Diphenylmercury, redetermined at 120K: sheets built from a single C—H···π(arene) hydrogen bond
• Authors of publication: Glidewell, Christopher; Low, John N.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m107 - m108
• a: 5.6222 ± 0.0003 Å
• b: 8.0912 ± 0.0004 Å
• c: 10.5852 ± 0.0005 Å
• α: 90°
• β: 95.485 ± 0.003°
• γ: 90°
• Cell volume: 479.32 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes