Information card for entry 4346424

Structure parameters

• Chemical name: dichloridobis(N,N'-tert-butyl selenium diimide)- mercury-acetonitrile(1/1)
• Formula: C18 H39 Cl2 Hg N5 Se2
• Calculated formula: C18 H39 Cl2 Hg N5 Se2
• SMILES: [Hg]1(Cl)(Cl)[N](=[Se]2N([Se](=[N]1C(C)(C)C)N2C(C)(C)C)C(C)(C)C)C(C)(C)C.N#CC
• Title of publication: Mercury- and cadmium-assisted [2 + 2] cyclodimerization of tert-butylselenium diimide.
• Authors of publication: Karhu, Aino J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9499 - 9508
• a: 18.485 ± 0.005 Å
• b: 14.886 ± 0.005 Å
• c: 20.405 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5615 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No