Information card for entry 7044236

Structure parameters

• Formula: C102 H70 Au4 N8 P4
• Calculated formula: C102 H70 Au4 N8 P4
• SMILES: [P](c1ccccc1)(c1ccccc1)([Au]C#Cc1ccc(nc1)c1ncccc1)c1c([P](c2ccccc2)(c2ccccc2)[Au]C#Cc2ccc(nc2)c2ncccc2)cc([P](c2ccccc2)(c2ccccc2)[Au]C#Cc2cnc(cc2)c2ncccc2)c(c1)[P](c1ccccc1)(c1ccccc1)[Au]C#Cc1cnc(cc1)c1ncccc1
• Title of publication: Polypyridyl-functionalizated alkynyl gold(I) metallaligands supported by tri- and tetradentate phosphanes
• Authors of publication: Ferrer, Montserrat; Giménez, Leticia; Gutiérrez, Albert; Lima, J. C. Carlos; Rodriguez, Laura; Martinez, Manuel; Martín, Avelino; Puttreddy, Rakesh; Rissanen, Kari
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 18.968 ± 0.006 Å
• b: 26.452 ± 0.008 Å
• c: 20.5749 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10323 ± 5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No