Information card for entry 2014893

Structure parameters

• Chemical name: Di-μ-chloro-bis[chloro(triphenylphosphine)mercury(II)]
• Formula: C36 H30 Cl4 Hg2 P2
• Calculated formula: C36 H30 Cl4 Hg2 P2
• SMILES: [P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Hg]1(Cl)[Cl][Hg]([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)[Cl]1
• Title of publication: Di-μ-halogeno-bis[halogeno(triphenylphosphine)mercury(II)], [Ph~3~PHg<i>X</i>(μ-<i>X</i>)~2~<i>X</i>HgPPh~3~], reinvestigated at 120K for <i>X</i> = Cl and Br, and a second polymorph for <i>X</i> = I, also at 120 K
• Authors of publication: Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m211 - m214
• a: 12.154 ± 0.0002 Å
• b: 11.2982 ± 0.0003 Å
• c: 13.2965 ± 0.0003 Å
• α: 90°
• β: 93.346 ± 0.0016°
• γ: 90°
• Cell volume: 1822.74 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0329
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes