Information card for entry 7011444

Structure parameters

• Formula: C27 H40 B Br Hg N6 S3
• Calculated formula: C27 H40 B Br Hg N6 S3
• Title of publication: Bulky tris(mercaptoimidazolyl)borates: synthesis and molecular structures of the Group 12 metal complexes [TmtBu]MBr (M = Zn, Cd, Hg)
• Authors of publication: White, Jennifer L.; Tanski, Joseph M.; Rabinovich, Daniel
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 2987
• a: 17.7024 ± 0.001 Å
• b: 10.8838 ± 0.0006 Å
• c: 35.013 ± 0.002 Å
• α: 90°
• β: 96.79 ± 0.001°
• γ: 90°
• Cell volume: 6698.6 ± 0.7 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No