Information card for entry 2016026

Structure parameters

• Chemical name: bis[dicyanidomercury(II)] pyrene solvate
• Formula: C20 H10 Hg2 N4
• Calculated formula: C20 H10 Hg2 N4
• SMILES: c12c3c(ccc1)ccc1c3c(ccc1)cc2.[Hg](C#N)C#N.C([Hg]C#N)#N
• Title of publication: Mercuric cyanide as a receptor of pyrene
• Authors of publication: Gervasio, Giuliana; Marabello, Domenica
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m318 - m320
• a: 11.9893 ± 0.0003 Å
• b: 17.348 ± 0.0004 Å
• c: 8.6266 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1794.25 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes