Information card for entry 4302739

Structure parameters

• Formula: C29.5 H49.5 B2 F8 Hg N8 S4
• Calculated formula: C29.5 H49.5 B2 F8 Hg N8 S4
• Title of publication: Synthesis, Structure, and Reactivity of Two-Coordinate Mercury Alkyl Compounds with Sulfur Ligands: Relevance to Mercury Detoxification
• Authors of publication: Jonathan G. Melnick; Kevin Yurkerwich; Gerard Parkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6763 - 6772
• a: 14.6474 ± 0.0017 Å
• b: 17.583 ± 0.002 Å
• c: 19.839 ± 0.002 Å
• α: 96.814 ± 0.002°
• β: 111.056 ± 0.002°
• γ: 113.285 ± 0.002°
• Cell volume: 4172.5 ± 0.8 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No