Information card for entry 4132471

Structure parameters

• Formula: C67 H99 Au Br4 Cl9 N5 O4
• Calculated formula: C67 H99 Au Br4 Cl9 N5 O4
• SMILES: [Au](Br)(Br)(Br)[Br-].O=C1NCc2c(c(c(CNC(=O)c3cc(C(=O)NCc4c(c(c(CNC(=O)c5cc1cc(c5)C(C)(C)C)c(c4C)C)C)C)cc(c3)C(C)(C)C)c(c2C)C)C)C.C(CCC)[N+](CCCC)(CCCC)CCCC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.
• Authors of publication: Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 22
• Pages of publication: 6810 - 6813
• a: 21.768 ± 0.003 Å
• b: 15.419 ± 0.002 Å
• c: 23.157 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7772.4 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No