Information card for entry 2202166

Structure parameters

• Chemical name: 4-(Tri-tert-butoxysilylthiomercurio)benzoic acid
• Formula: C19 H32 Hg O5 S Si
• Calculated formula: C19 H32 Hg O5 S Si
• Title of publication: 4-(Tri-<i>tert</i>-butoxysilylthiomercurio)benzoic acid
• Authors of publication: Jaroslaw Chojnacki; Agnieszka Walaszewska; Elke Baum; Wieslaw Wojnowski
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m125 - m127
• a: 22.5989 ± 0.0013 Å
• b: 22.5989 ± 0.0013 Å
• c: 39.015 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19925 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes