Information card for entry 4083886

Structure parameters

• Formula: C70 H58 Au Cl3 N2 O2 Se
• Calculated formula: C70 H58 Au Cl3 N2 O2 Se
• SMILES: [Au]([Se]=C1N(C=CN1c1c(cc(OC)cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)c1c(cc(OC)cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)Cl.ClCCl
• 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: 19.4417 ± 0.0013 Å
• b: 15.071 ± 0.001 Å
• c: 20.1218 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5895.8 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No