Information card for entry 4064321

Structure parameters

• Chemical name: IMesAuBIANPF-6
• Formula: C58 H66 Au Cl2 F6 N4 P
• Calculated formula: C58 H66 Au Cl2 F6 N4 P
• SMILES: C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Au][N](=C1C(c2cccc3cccc1c23)=Nc1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Characterization, and Reactivity of Cationic Gold(I) α-Diimine Complexes
• Authors of publication: de Frémont, Pierre; Clavier, Hervé; Rosa, Vitor; Avilés, Teresa; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2241
• a: 16.6759 ± 0.0006 Å
• b: 17.8115 ± 0.0007 Å
• c: 19.6132 ± 0.0007 Å
• α: 90°
• β: 104.263 ± 0.001°
• γ: 90°
• Cell volume: 5646 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No