Information card for entry 2311564

Structure parameters

• Chemical name: [4-<i>tert</i>-Butyl-2,6-bis(1-pentyl-1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)phenyl-κ<i>C</i>^1^]tellurium(II) (1,4-dioxane)triiodidomercurate(II)
• Formula: C38 H49 Hg I3 N4 O2 Te
• Calculated formula: C38 H49 Hg I3 N4 O2 Te
• SMILES: [Hg](I)(I)(I)[O]1CCOCC1.[Te]12[n]3c(n(c4c3cccc4)CCCCC)c3cc(cc(c23)c2[n]1c1ccccc1n2CCCCC)C(C)(C)C
• Title of publication: Synthesis and structure of an aryl-tellurenium(II) cation; [4-<i>tert</i>-butyl-2,6-bis-(1-pentyl-1<i>H</i>-benz-imidazol-2-yl-κ<i>N</i>³)phenyl-κ<i>C</i>¹]tellurium(II) (1,4-dioxane)tri-iodido-mercurate(II).
• Authors of publication: Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 3
• Pages of publication: 390 - 393
• a: 9.6074 ± 0.0002 Å
• b: 25.4943 ± 0.0006 Å
• c: 17.4326 ± 0.0003 Å
• α: 90°
• β: 95.152 ± 0.002°
• γ: 90°
• Cell volume: 4252.59 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No