Information card for entry 4123774

Structure parameters

• Formula: C32 H32 Cl2 Hg N8 Se4
• Calculated formula: C32 H32 Cl2 Hg N8 Se4
• SMILES: [Hg]([Se]=C1Nc2c(N1C)cccc2)([Se]=C1Nc2c(N1C)cccc2)([Se]=C1Nc2c(N1C)cccc2)[Se]=C1Nc2c(N1C)cccc2.[Cl-].[Cl-]
• 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: 12.8918 ± 0.0014 Å
• b: 14.5673 ± 0.0015 Å
• c: 19 ± 0.002 Å
• α: 90°
• β: 94.939 ± 0.002°
• γ: 90°
• Cell volume: 3554.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No