Information card for entry 4064500

Structure parameters

• Formula: C80 H72 Hg3 I6 O1.5 P4
• Calculated formula: C80 H72 Hg3 I6 O1.5 P4
• Title of publication: Syntheses and Crystal Structures of [Hg{C(PPh3)2}2][Hg2I6] and [Cu{C(PPh3)2}2]I and Comparative Theoretical Study of Carbene Complexes [M(NHC)2] with Carbone Complexes [M{C(PH3)2}2] (M = Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+)
• Authors of publication: Petz, Wolfgang; Neumüller, Bernhard; Klein, Susanne; Frenking, Gernot
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3330
• a: 15.229 ± 0.001 Å
• b: 17.046 ± 0.001 Å
• c: 17.138 ± 0.001 Å
• α: 80.71 ± 0.01°
• β: 81.86 ± 0.01°
• γ: 65.41 ± 0.01°
• Cell volume: 3978.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.605
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No