Information card for entry 7021799

Structure parameters

• Formula: C224 H174 Au12 F36 Mo24 O90 P14
• Calculated formula: C224 H168 Au12 F36 Mo24 O90 P14
• SMILES: c1(ccc(F)cc1)[P](c1ccc(F)cc1)(c1ccc(F)cc1)[Au]12[Au]([P](c3ccc(F)cc3)(c3ccc(F)cc3)c3ccc(F)cc3)(O1)[Au]1(O[Au]21[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)[P](c1ccc(cc1)F)(c1ccc(F)cc1)c1ccc(F)cc1.Fc1ccc([P]([Au]23O[Au]2([P](c2ccc(cc2)F)(c2ccc(cc2)F)c2ccc(cc2)F)[Au]2(O[Au]32[P](c2ccc(cc2)F)(c2ccc(cc2)F)c2ccc(cc2)F)[P](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=[Mo]1234O[Mo]567(O[Mo]89(O1)(O[Mo]1%10%11(=O)O[Mo]%12%13(O3)(=O)O[Mo]3%14(O2)(=O)O[Mo]2%15%16(O[Mo]%17(O%12)(O%10)(O[Mo]%10%12(O[Mo]%18(O8)(=O)(O1)O[Mo]1(O5)(O%10)([O]6(=P([O]4%133)([O]9%11%18)[O]2%17%12)[Mo](O7)(=O)(O%14)(O1)O%15)=O)(=O)O%16)=O)=O)=O)=O.[P]([Au]12O[Au]1([P](c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F)[Au]1(O[Au]21[P](c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F)[P](c1ccc(cc1)F)(c1ccc(F)cc1)c1ccc(F)cc1)(c1ccc(cc1)F)(c1ccc(F)cc1)c1ccc(F)cc1.CCO.CCO.O=[Mo]1234O[Mo]567(=O)O[Mo]89(=O)(O1)O[Mo]1%10%11(=O)O[Mo]%12%13(O6)(=O)O[Mo]6%14(O5)(=O)O[Mo]5%15(O2)(=O)O[Mo]2%16(O3)(=O)O[Mo]3(O8)(=O)(O1)O[Mo]18(O2)(O[Mo]2(O%12)(O%10)(O[Mo](O5)(O6)(O1)(=O)[O]82P([O]4%15%16)([O]7%13%14)=[O]9%113)=O)=O.CCO.CCO
• Title of publication: Two types of tetranuclear phosphanegold(i) cations as dimers of dinuclear units, [{(Au{P(p-RPh)3})2(μ-OH)}2](2+) (R = Me, F), synthesized by polyoxometalate-mediated clusterization.
• Authors of publication: Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11418 - 11425
• a: 17.285 ± 0.0014 Å
• b: 22.6003 ± 0.0019 Å
• c: 22.684 ± 0.0018 Å
• α: 75.933 ± 0.002°
• β: 80.236 ± 0.002°
• γ: 78.267 ± 0.002°
• Cell volume: 8348.4 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0877
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No