Information card for entry 4133435

Structure parameters

• Formula: C125 H90 Au25 N S2.22 Se15.78
• Calculated formula: C124 H90 Au25 S2.393 Se15.607
• Title of publication: Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.
• Authors of publication: Hosier, Christopher A.; Ackerson, Christopher J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 309 - 314
• a: 16.612 ± 0.003 Å
• b: 20.297 ± 0.004 Å
• c: 23.736 ± 0.005 Å
• α: 83.17 ± 0.03°
• β: 80.2 ± 0.03°
• γ: 81.91 ± 0.03°
• Cell volume: 7771 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No