Information card for entry 2007522

Structure parameters

• Chemical name: 1-Bromomercurio-2-(2,5,8,11,14-pentaoxapentadecyl)benzene
• Formula: C16 H25 Br Hg O5
• Calculated formula: C16 H25 Br Hg O5
• SMILES: Br[Hg]c1c(cccc1)COCCOCCOCCOCCOC
• Title of publication: 1-Bromomercurio-2-(2,5,8,11,14-pentaoxapentadecyl)benzene
• Authors of publication: Lutz, Martin; Spek, Anthony L.; Markies, Peter R.; Akkerman, Otto S.; Bickelhaupt, Friedrich
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1091 - 1093
• a: 8.544 ± 0.002 Å
• b: 13.164 ± 0.0013 Å
• c: 16.8094 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1890.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No