Information card for entry 4064501

Structure parameters

• Formula: C82 H76 Cu I O2 P4
• Calculated formula: C82 H76 Cu I O2 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: 11.949 ± 0.001 Å
• b: 14.736 ± 0.001 Å
• c: 20.854 ± 0.002 Å
• α: 75 ± 0.01°
• β: 78.97 ± 0.01°
• γ: 82.03 ± 0.01°
• Cell volume: 3465.9 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.14
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 0.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No