Information card for entry 2218397

Structure parameters

• Chemical name: Bis[(4-bromobenzoylmethyl)triphenylphosphonium] di-μ-bromido-bis[dibromidomercurate(IV)]
• Formula: C52 H42 Br8 Hg2 O2 P2
• Calculated formula: C52 H42 Br8 Hg2 O2 P2
• SMILES: c1c(ccc(C(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1)Br.Br[Hg]1([Br][Hg](Br)([Br]1)Br)Br.c1cc(ccc1C(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Br
• Title of publication: Bis[(4-bromobenzoylmethyl)triphenylphosphonium] di-μ-bromido-bis[dibromidomercurate(IV)]
• Authors of publication: Sabounchei, Seyyed Javad; Dadras, Alireza; Jodaian, Vida; Nemattalab, Hassan; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m833
• a: 9.4146 ± 0.0006 Å
• b: 21.8848 ± 0.0014 Å
• c: 13.2675 ± 0.0009 Å
• α: 90°
• β: 100.785 ± 0.005°
• γ: 90°
• Cell volume: 2685.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes