Information card for entry 7117659

Structure parameters

• Formula: C162 H162 Au13 F18 N4 O2 P13
• Calculated formula: C162 H162 Au13 F18 N4 O2 P13
• SMILES: [P]1([Au]23456[Au]789%10%11[Au]%12%13%143([Au]3%15%162([P](c2ccccc2)(CC1)c1ccccc1)[Au]12%17%18%19[P](c%20ccccc%20)(c%20ccccc%20)CC[P]([Au]%20%21532[Au]2347(C#Cc4ccccc4)[Au]457%17%20[P](c%17ccccc%17)(c%17ccccc%17)CC[P]([Au]%17%20%2214[Au]14%239%12[P](c9ccccc9)(c9ccccc9)CC[P]([Au]%1025%171[Au]6%11%14%16%19%2137%22%23[Au]%13%15%18%204C#Cc1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CC[P]8(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.CC#N.C(OCC)C.CC#N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC#N.CCOCC.CC#N.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cluster-pi electronic interaction in a superatomic Au13 cluster bearing sigma-bonded acetylide ligands
• Authors of publication: Mizuho Sugiuchi; Yukatsu Shichibu; Takayuki Nakanishi; Yasuchika Hasegawa; Katsuaki Konishi
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13519
• a: 25.72 ± 0.002 Å
• b: 21.2708 ± 0.0018 Å
• c: 31.007 ± 0.003 Å
• α: 90°
• β: 96.865 ± 0.0009°
• γ: 90°
• Cell volume: 16842 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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: 0.1457
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.2604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No