Information card for entry 7707638

Structure parameters

• Chemical name: WF067
• Formula: C35 H28 Au F3 N4 O3 S
• Calculated formula: C35 H28 Au F3 N4 O3 S
• SMILES: [Au](=C1N(C=CN1CC)c1c2c(ccc1)c1c2cccc1)=C1N(c2c3c4ccccc4c3ccc2)C=CN1CC.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Non-palindromic (C^C^D) gold(III) pincer complexes are not accessible by intramolecular oxidative addition of biphenylenes - an experimental and quantum chemical study.
• Authors of publication: Feuerstein, Wolfram; Breher, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 28
• Pages of publication: 9754 - 9767
• a: 8.066 ± 0.0016 Å
• b: 19.896 ± 0.004 Å
• c: 20.237 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3247.7 ± 1.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No