Information card for entry 4349178

Structure parameters

• Formula: C48 H36 Hg P2
• Calculated formula: C48 H36 Hg P2
• SMILES: C1Cc2c3c1ccc1c3c([P]([Hg]31[P](c1ccc4CCc5ccc3c1c45)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cc2
• Title of publication: Role of Dispersion in Metallophilic Hg···M Interactions (M = Cu, Ag, Au) within Coinage Metal Complexes of Bis(6-diphenylphosphinoacenaphth-5-yl)mercury.
• Authors of publication: Hupf, Emanuel; Kather, Ralf; Vogt, Matthias; Lork, Enno; Mebs, Stefan; Beckmann, Jens
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11513 - 11521
• a: 17.5866 ± 0.0007 Å
• b: 9.3976 ± 0.0003 Å
• c: 22.8638 ± 0.0007 Å
• α: 90°
• β: 101.591 ± 0.002°
• γ: 90°
• Cell volume: 3701.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0166
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No