Information card for entry 7027317

Structure parameters

• Formula: C77 H70 Cl4 F24 Hg3 P10
• Calculated formula: C77 H70 Cl4 F24 Hg3 P10
• SMILES: [Hg]123[Hg]4([Hg]1([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Host‒guest chemistry of the cluster [Hg3(μ-dppm)3]4+ [dppm = bis(diphenylphosphino)methane] with oxo- and fluoro-anions
• Authors of publication: Knoepfler-Mühlecker, Anna; Scheffter, Birgit; Kopacka, Holger; Wurst, Klaus; Peringer, Paul
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2525
• a: 14.559 ± 0.004 Å
• b: 44.421 ± 0.011 Å
• c: 15.113 ± 0.003 Å
• α: 90°
• β: 115.12 ± 0.02°
• γ: 90°
• Cell volume: 8850 ± 4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections: 0.253
• Weighted residual factors for significantly intense reflections: 0.1438
• Goodness-of-fit parameter for all reflections: 1.142
• Goodness-of-fit parameter for significantly intense reflections: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No