Information card for entry 7040049

Structure parameters

• Common name: 3-PMo12PF6
• Chemical name: [{(AuLCl)4(μ4-O)}]2[α-PMo12O40]PF6
• Formula: C164 H144 Au8 Cl32 F6 Mo12 O50 P10
• Calculated formula: C164 H144 Au8 Cl32 F6 Mo12 O50 P10
• 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: 22.6489 ± 0.0007 Å
• b: 22.6489 ± 0.0007 Å
• c: 23.3214 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11963.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2822
• Weighted residual factors for all reflections included in the refinement: 0.2888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No