Information card for entry 7040047

Structure parameters

• Common name: 2-PF6
• Chemical name: [{(AuLCl)3(μ3-O)}2](PF6)2
• Formula: C108 H72 Au6 Cl18 F12 O2 P8
• Calculated formula: C108 H72 Au6 Cl18 F12 O2 P8
• SMILES: c1(ccc(cc1)Cl)[P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)[Au][O]([Au][P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl)[Au]([P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl).[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The effect of counteranions on the molecular structures of phosphanegold(i) cluster cations formed by polyoxometalate (POM)-mediated clusterization.
• Authors of publication: Nagashima, Eri; Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13565 - 13575
• a: 15.019 ± 0.003 Å
• b: 15.422 ± 0.003 Å
• c: 15.667 ± 0.003 Å
• α: 74.16 ± 0.03°
• β: 64.13 ± 0.03°
• γ: 64.2 ± 0.03°
• Cell volume: 2924.2 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No