Information card for entry 7034086

Structure parameters

• Formula: C64 H146 Au6 N16 P8 S8
• Calculated formula: C64 H146 Au6 N16 P8 S8
• SMILES: C(C)(C)(C)N1P23N(C(C)(C)C)P(N(C(C)(C)C)[Au]4[S]=P5(N([Au]14)C(C)(C)C)N(P(NC(C)(C)C)(N5C(C)(C)C)=S)C(C)(C)C)(N2C(C)(C)C)=[S][Au]1[Au]([S]=3)[S]=P23N(C(C)(C)C)[Au]4[S]=P5(N([Au]4N(C(C)(C)C)P(N2C(C)(C)C)(N3C(C)(C)C)=[S]1)C(C)(C)C)N(P(NC(C)(C)C)(N5C(C)(C)C)=S)C(C)(C)C
• Title of publication: Spirocyclic, macrocyclic and ladder complexes of coinage metals and mercury with dichalcogeno P2N2-supported anions.
• Authors of publication: Nordheider, Andreas; Hüll, Katharina; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Thirumoorthi, Ramalingam; Chivers, Tristram
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5338 - 5346
• a: 31.316 ± 0.004 Å
• b: 18.931 ± 0.002 Å
• c: 17.846 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10580 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No