Information card for entry 7021138

Structure parameters

• Formula: C34 H34 Au2 F12 N10 P2
• Calculated formula: C34 H34 Au2 F12 N10 P2
• SMILES: [Au]1=C2N3CN4C(=[Au]5)N(C=C4)Cc4c(CN6C=5N(CN5C=1N(Cc1c(CN2C=C3)cccc1)C=C5)C=C6)cccc4.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Synthesis of polynuclear Ag(i) and Au(i) complexes from macrocyclic tetraimidazolium salts.
• Authors of publication: Schulte To Brinke, Christian; Pape, Tania; Hahn, F. Ekkehardt
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 7330 - 7337
• a: 13.2635 ± 0.0005 Å
• b: 21.8591 ± 0.0008 Å
• c: 26.3883 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7650.7 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No