Information card for entry 4122613

Structure parameters

• Formula: C154 H148 Au11 Cl7 O4 P8
• Calculated formula: C144 H120 Au11 Cl2 P8
• SMILES: [Au]123456789[Au]%10%11%12%13([Au]%14%151([Au]12%10([Au]2%103%11([Au]34%12([Au]5%13%14([Au]49([Au]6%15([Au]712([Au]8%1034[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Structurally similar triphenylphosphine-stabilized undecagolds, Au11(PPh3)7Cl3 and [Au11(PPh3)8Cl2]Cl, exhibit distinct ligand exchange pathways with glutathione.
• Authors of publication: McKenzie, Lallie C.; Zaikova, Tatiana O.; Hutchison, James E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 38
• Pages of publication: 13426 - 13435
• a: 22.5421 ± 0.0015 Å
• b: 18.0509 ± 0.0012 Å
• c: 34.593 ± 0.002 Å
• α: 90°
• β: 96.067 ± 0.001°
• γ: 90°
• Cell volume: 13997.2 ± 1.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No