Information card for entry 4087569

Structure parameters

• Common name: DP125 1,2-dicloroetano/hx
• Formula: C40 H36 Au Cl5 Hg O4 P2
• Calculated formula: C40 H36 Au Cl5 Hg O4 P2
• SMILES: [Au]([P](c1c([Hg]2)cccc1)(c1ccccc1)c1ccccc1)[P](c1c2cccc1)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].C(CCl)Cl.ClCCCl
• Title of publication: Study of the Nature of Closed-Shell HgII···MI (M = Cu, Ag, Au) Interactions
• Authors of publication: López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pascual, David
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 3029
• a: 10.9246 ± 0.0008 Å
• b: 13.0758 ± 0.001 Å
• c: 17.0443 ± 0.0008 Å
• α: 111.108 ± 0.004°
• β: 90.531 ± 0.004°
• γ: 113.305 ± 0.002°
• Cell volume: 2053.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1958
• Weighted residual factors for all reflections included in the refinement: 0.2447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No