Information card for entry 4132472

Structure parameters

• Formula: C80 H132 Cl6 N6 O4 Pd2
• Calculated formula: C80 H132 Cl6 N6 O4 Pd2
• SMILES: C1NC(=O)c2cc(cc(c2)C(C)(C)C)C(=O)NCc2c(c(c(c(c2C)C)CNC(=O)c2cc(cc(c2)C(C)(C)C)C(=O)NCc2c(c(c1c(c2C)C)C)C)C)C.[N+](CCCC)(CCCC)(CCCC)CCCC.[Cl]1[Pd](Cl)(Cl)[Cl][Pd]1(Cl)Cl.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 11.4123 ± 0.0007 Å
• b: 13.8383 ± 0.0008 Å
• c: 14.9653 ± 0.0009 Å
• α: 102.685 ± 0.002°
• β: 95.062 ± 0.002°
• γ: 112.999 ± 0.002°
• Cell volume: 2082.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1106
• 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