Information card for entry 4083887

Structure parameters

• Formula: C21 H24 Au Cl N2 Se
• Calculated formula: C21 H24 Au Cl N2 Se
• SMILES: [Au]([Se]=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Cl
• Title of publication: Exploring the Coordination of Cyclic Selenoureas to Gold(I)
• Authors of publication: Nelson, David J.; Nahra, Fady; Patrick, Scott R.; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140702161847002
• a: 11.0441 ± 0.0011 Å
• b: 15.4012 ± 0.0011 Å
• c: 13.8168 ± 0.0014 Å
• α: 90°
• β: 113.158 ± 0.002°
• γ: 90°
• Cell volume: 2160.8 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0186
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No