Information card for entry 4064907

Structure parameters

• Formula: C20 H28 Au2 Br2 Cl4 F12 N8 P2
• Calculated formula: C20 H28 Au2 Br2 Cl4 F12 N8 P2
• SMILES: C12N(C=CN1CN1C=CN(C1=[Au]=C1N(CN3C(N(C=C3)C)=[Au]=2(Br)Br)C=CN1C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• 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: 9.1548 ± 0.0008 Å
• b: 23.627 ± 0.002 Å
• c: 18.4503 ± 0.0016 Å
• α: 90°
• β: 99.639 ± 0.002°
• γ: 90°
• Cell volume: 3934.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No