Information card for entry 4067040

Structure parameters

• Formula: C24 H21 B F5 N3
• Calculated formula: C24 H21 B F5 N3
• SMILES: FC([C@H]1[n+]2c(nn(c2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• 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: 16.8056 ± 0.0008 Å
• b: 6.9654 ± 0.0004 Å
• c: 18.7706 ± 0.0009 Å
• α: 90°
• β: 105.241 ± 0.002°
• γ: 90°
• Cell volume: 2119.96 ± 0.19 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No