Information card for entry 7040046

Structure parameters

• Common name: 1-PMo12
• Chemical name: [{(AuLCl)2(μ-OH)}2]3[α-PMo12O40]2
• Formula: C216 H144 Au12 Cl36 Mo24 O86 P14
• Calculated formula: C216 H144 Au12 Cl36 Mo24 O86 P14
• SMILES: [P]([Au]O[Au][P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(c1ccc(Cl)cc1)(c1ccc(cc1)Cl)c1ccc(cc1)Cl.O([Au][P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl)[Au][P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl.O([Au][P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl)[Au][P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl.O=[Mo]1234O[Mo]567(=O)O[Mo]89(=O)(O1)O[Mo]1%10%11(=O)O[Mo]%12%13(=O)(O[Mo]%14%15(=O)(O1)O[Mo]1%16%17(=O)O[Mo]%18%19(=O)(O[Mo](=O)(O1)(O5)(O%12)O7%13=P15[O]4%19[Mo]4(=O)(O[Mo](=O)(O[Mo](=O)(O4)(O%14)(O%16)[O]%15%175)(O8)(O%10)[O]9%111)(O3)O%18)O2)O6
• 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: 17.823 ± 0.003 Å
• b: 22.894 ± 0.004 Å
• c: 24.124 ± 0.004 Å
• α: 68.125 ± 0.003°
• β: 83.712 ± 0.003°
• γ: 82.884 ± 0.003°
• Cell volume: 9043 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1685
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No