Information card for entry 7110263

Structure parameters

• Formula: C78 H73 Au2 F12 N26 O15 S4
• Calculated formula: C78 H73 Au2 F12 N26 O15 S4
• Title of publication: Metallamacrocycle-modified gold nanoparticles: a new pathway for surface functionalization
• Authors of publication: Hai-Xia Liu; Xin He; Liang Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 971
• a: 21.3858 ± 0.0009 Å
• b: 13.9075 ± 0.0007 Å
• c: 30.0241 ± 0.0013 Å
• α: 90°
• β: 102.41 ± 0.003°
• γ: 90°
• Cell volume: 8721.2 ± 0.7 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No