Information card for entry 7046693

Structure parameters

• Formula: C9 H14 Au Br2 N O2 S2
• Calculated formula: C9 H14 Au Br2 N O2 S2
• Title of publication: An innovative and efficient route to the synthesis of metal-based glycoconjugates: proof-of-concept and potential applications.
• Authors of publication: Pettenuzzo, Andrea; Montagner, Diego; McArdle, Patrick; Ronconi, Luca
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10721 - 10736
• a: 8.0665 ± 0.0004 Å
• b: 16.5901 ± 0.0011 Å
• c: 11.7403 ± 0.0006 Å
• α: 90°
• β: 102.529 ± 0.005°
• γ: 90°
• Cell volume: 1533.72 ± 0.15 ų
• Cell temperature: 298 ± 0.1 K
• Ambient diffraction temperature: 298 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No