Information card for entry 4083888

Structure parameters

• Formula: C21 H26 Au Cl N2 Se
• Calculated formula: C21 H26 Au Cl N2 Se
• SMILES: [Au]([Se]=C1N(CCN1c1c(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: 13.3275 ± 0.0012 Å
• b: 7.9823 ± 0.0006 Å
• c: 41.362 ± 0.004 Å
• α: 90°
• β: 97.754 ± 0.003°
• γ: 90°
• Cell volume: 4360 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No