Information card for entry 1556470

Structure parameters

• Common name: dpg26
• Formula: C37 H30 Au Cl2 Hg I P2
• Calculated formula: C37 H30 Au Cl2 Hg I P2
• SMILES: [Hg](c1c([P]([Au]2I)(c3ccccc3)c3ccccc3)cccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: [AuHg(o-C6H4PPh2)2I]: A Dinuclear Heterometallic Blue Emitter
• Authors of publication: Lopez-de-Luzuriaga J.M.; Monge, M.; Olmos, M.E.; Pascual, D.
• Journal of publication: Inorganics
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 27 - 39
• a: 17.1928 ± 0.0004 Å
• b: 11.2469 ± 0.0003 Å
• c: 18.0925 ± 0.0004 Å
• α: 90°
• β: 96.108 ± 0.001°
• γ: 90°
• Cell volume: 3478.61 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No