Information card for entry 4064766

Structure parameters

• Formula: C97 H64 Au4 F16 N4 P4
• Calculated formula: C97 H64 Au4 F16 N4 P4
• SMILES: C(C[P](c1ccccc1)(c1ccccc1)[Au]c1c(c(c(c(c1F)F)c1ccncc1)F)F)(C[P](c1ccccc1)(c1ccccc1)[Au]c1c(c(c(c(c1F)F)c1ccncc1)F)F)(C[P](c1ccccc1)(c1ccccc1)[Au]c1c(c(c(c(c1F)F)c1ccncc1)F)F)C[P](c1ccccc1)(c1ccccc1)[Au]c1c(c(c(c(c1F)F)c1ccncc1)F)F
• Title of publication: Design and Synthesis of Polytopic Metalloligands Based on Fluoroaryl Gold(I) Organometallic Compounds
• Authors of publication: Ferrer, Montserrat; Gutiérrez, Albert; Mounir, Mounia; Rodríguez, Laura; Rossell, Oriol; Font-Bardia, Mercè; Gómez-Sal, Pilar; Martín, Avelino; Solans, Xavier
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3419
• a: 14.9845 ± 0.0019 Å
• b: 14.9845 ± 0.002 Å
• c: 46.536 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10449 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :1
• Hall space group symbol: I 4bw -1bw
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No