Information card for entry 4118497

Structure parameters

• Common name: Br_exchanged_Au102
• Formula: C308 H488 Au102 Br O99 S44
• Calculated formula: C305.82 Au102 Br2.18 O83.64 S44
• Title of publication: Structural and Theoretical Basis for Ligand Exchange on Thiolate Monolayer Protected Gold Nanoclusters
• Authors of publication: Christine L. Heinecke; Thomas W. Ni; Sami Malola; Ville Mäkinen; O. Andrea Wong; Hannu Häkkinen; Christopher J. Ackerson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 13316 - 13322
• a: 30.3 ± 0.006 Å
• b: 57.1 ± 0.011 Å
• c: 38.2 ± 0.008 Å
• α: 90°
• β: 109.3 ± 0.03°
• γ: 90°
• Cell volume: 62377 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1472
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2596
• Weighted residual factors for all reflections included in the refinement: 0.3042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.827 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No