Information card for entry 4123773

Structure parameters

• Formula: C16 H16 Hg I2 N4 Se2
• Calculated formula: C16 H16 Hg I2 N4 Se2
• SMILES: [Hg](I)(I)([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: 14.0994 ± 0.0017 Å
• b: 15.2939 ± 0.0019 Å
• c: 10.1211 ± 0.0012 Å
• α: 90°
• β: 92.8 ± 0.002°
• γ: 90°
• Cell volume: 2179.9 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No