Information card for entry 4064910

Structure parameters

• Formula: C36 H42 Au2 Br4 F12 N10 P2
• Calculated formula: C36 H42 Au2 Br4 F12 N10 P2
• SMILES: C12N(C=CN2C)Cc2cccc(c2)CN2C=CN(C2=[Au](=C2N(C=CN2C)Cc2cccc(c2)CN2C=CN(C2=[Au]=1(Br)Br)C)(Br)Br)C.[P](F)(F)(F)(F)(F)[F-].CC#N.[P](F)(F)(F)(F)(F)[F-].CC#N
• Title of publication: Dinuclear N-Heterocyclic Dicarbene Gold Complexes in I‒III and III‒III Oxidation States: Synthesis and Structural Analysis
• Authors of publication: Baron, Marco; Tubaro, Cristina; Basato, Marino; Biffis, Andrea; Natile, Marta M.; Graiff, Claudia
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4607
• a: 8.138 ± 0.006 Å
• b: 12.247 ± 0.009 Å
• c: 13.659 ± 0.01 Å
• α: 73.87 ± 0.013°
• β: 81.918 ± 0.013°
• γ: 74.257 ± 0.013°
• Cell volume: 1255.6 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No