Information card for entry 4132458

Structure parameters

• Formula: C64 H88 Au2 Cl6 F12 N2 P2 Sb2
• Calculated formula: C64 H88 Au2 Cl6 F12 N2 P2 Sb2
• SMILES: C[N]1(C)c2ccccc2[P](C23CC4CC(CC(C2)C4)C3)([Au]1(c1ccc([Au]2([N](C)(C)c3ccccc3[P]2(C23CC4CC(CC(C2)C4)C3)C23CC4CC(CC(C2)C4)C3)Cl)cc1)Cl)C12CC3CC(CC(C1)C3)C2.F[Sb](F)(F)(F)(F)[F-].C(Cl)Cl.F[Sb](F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Organometallic Gold(III) Reagents for Cysteine Arylation.
• Authors of publication: Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 23
• Pages of publication: 7065 - 7069
• a: 20.8838 ± 0.001 Å
• b: 17.9885 ± 0.001 Å
• c: 18.4736 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6939.9 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No