Information card for entry 4302589

Structure parameters

• Common name: TpiPr2ZnStBu
• Formula: C31 H55 B N6 S Zn
• Calculated formula: C31 H55 B N6 S Zn
• Title of publication: S-Nitrosothiol and Nitric Oxide Reactivity at Zinc Thiolates
• Authors of publication: Matthew S. Varonka; Timothy H. Warren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5605 - 5607
• a: 9.4257 ± 0.0013 Å
• b: 17.722 ± 0.003 Å
• c: 20.879 ± 0.003 Å
• α: 90°
• β: 91.776 ± 0.002°
• γ: 90°
• Cell volume: 3486 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No