Information card for entry 4328221

Structure parameters

• Formula: C22 H32 Au2 F12 N8 P2
• Calculated formula: C22 H32 Au2 F12 N8 P2
• SMILES: [Au]1=C2N(C)C=CN2CCCN2C=CN(C)C2=[Au]=C2N(C)C=CN2CCCN2C=CN(C)C=12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Blue-Emitting Dinuclear N-heterocyclic Dicarbene Gold(I) Complex Featuring a Nearly Unit Quantum Yield
• Authors of publication: Marco Baron; Cristina Tubaro; Andrea Biffis; Marino Basato; Claudia Graiff; Albert Poater; Luigi Cavallo; Nicola Armaroli; Gianluca Accorsi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1778 - 1784
• a: 12.0147 ± 0.0007 Å
• b: 12.0147 ± 0.0007 Å
• c: 19.406 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2426 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 153
• Hermann-Mauguin space group symbol: P 32 1 2
• Hall space group symbol: P 32 2 (0 0 2)
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No