Information card for entry 4123772

Structure parameters

• Formula: C32 H30 Hg N8 Se4
• Calculated formula: C32 H30 Hg N8 Se4
• SMILES: [Hg]([Se]=C1Nc2c(N1C)cccc2)([Se]c1nc2c(n1C)cccc2)([Se]=C1Nc2c(N1C)cccc2)[Se]c1nc2c(n1C)cccc2
• Title of publication: Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.
• Authors of publication: Palmer, Joshua H.; Parkin, Gerard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 13
• Pages of publication: 4503 - 4516
• a: 8.7906 ± 0.0007 Å
• b: 13.0704 ± 0.001 Å
• c: 15.0622 ± 0.0012 Å
• α: 104.497 ± 0.001°
• β: 98.215 ± 0.001°
• γ: 90.056 ± 0.001°
• Cell volume: 1657.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No