Information card for entry 4085869

Structure parameters

• Formula: C20 H28 Au2 F12 N8 O3 P2
• Calculated formula: C20 H28 Au2 F12 N8 O3 P2
• SMILES: C12N(C)C=CN1C(N1C(N(C)C=C1)=[Au]=C1N(C(N3C(=[Au]=2)N(C=C3)C)CO)C=CN1C)CO.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Spectroscopic and Structural Properties of Bridge-Functionalized Dinuclear Coinage-Metal (Cu, Ag, and Au) NHC Complexes: A Comparative Study
• Authors of publication: Zhong, Rui; Pöthig, Alexander; Mayer, David C.; Jandl, Christian; Altmann, Philipp J.; Herrmann, Wolfgang A.; Kühn, Fritz E.
• Journal of publication: Organometallics
• Year of publication: 2015
• Pages of publication: 150128111349001
• a: 13.346 ± 0.0004 Å
• b: 15.9879 ± 0.0004 Å
• c: 16.7956 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3583.75 ± 0.18 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 46
• Hermann-Mauguin space group symbol: I m a 2
• Hall space group symbol: I 2 -2a
• Residual factor for all reflections: 0.0143
• Residual factor for significantly intense reflections: 0.0133
• Weighted residual factors for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections included in the refinement: 0.0295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No