Information card for entry 7104070

Structure parameters

• Formula: C69 H90 N12 O30 Pd2
• Calculated formula: C69 H68 N12 O29.993 Pd2
• Title of publication: Water-soluble supramolecular bowls formed by intra-clipping of resorcin[4]arene-based ligands with Pd(II) ions
• Authors of publication: Park, Seong Jin; Shin, Dong Mok; Sakamoto, Shigeru; Yamaguchi, Kentaro; Chung, Young Keun; Lah, Myoung Soo; Hong, Jong-In
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 998 - 999
• a: 11.5964 ± 0.0002 Å
• b: 16.1544 ± 0.0003 Å
• c: 22.5305 ± 0.0005 Å
• α: 91.0518 ± 0.0008°
• β: 94.1617 ± 0.0007°
• γ: 91.6743 ± 0.0013°
• Cell volume: 4206.89 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1827
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No