Information card for entry 4133436

Structure parameters

• Formula: C123 H90 Au25 N S2.97 Se15.03
• Calculated formula: C123 H90 Au25 N S2.857 Se15.143
• 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: 16.597 ± 0.003 Å
• b: 20.304 ± 0.004 Å
• c: 23.758 ± 0.005 Å
• α: 83.35 ± 0.03°
• β: 80.26 ± 0.03°
• γ: 81.89 ± 0.03°
• Cell volume: 7777 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No