Information card for entry 4067042

Structure parameters

• Formula: C24 H20 Au Cl F N3
• Calculated formula: C24 H20 Au Cl F N3
• SMILES: [Au](Cl)=C1N2C(=NN1c1ccccc1)CC[C@H]2C(F)(c1ccccc1)c1ccccc1
• Title of publication: A Novel Fluorinated Gold(I) N-Heterocyclic Carbene Complex: Exploiting Fluorine Stereoelectronic Effects To Control Molecular Topology
• Authors of publication: Paul, Susann; Schweizer, W. Bernd; Ebert, Marc-Olivier; Gilmour, Ryan
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4424
• a: 9.8352 ± 0.0002 Å
• b: 20.1882 ± 0.0004 Å
• c: 27.0406 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5369.05 ± 0.19 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.518
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No