Information card for entry 4118183

Structure parameters

• Formula: C114 H108 F6 N12 O22 Pd2 S2
• Calculated formula: C114 H108 F6 N12 O22 Pd2 S2
• SMILES: c1ccc2c[n]1[Pd]13[n]4cccc(c4)COc4ccc(cc4)C(=O)c4ccc(cc4)OCc4ccc[n](c4)[Pd]([n]4cccc(c4)COc4ccc(cc4)C(=O)c4ccc(OCc5ccc[n]1c5)cc4)([n]1cccc(c1)COc1ccc(cc1)C(=O)c1ccc(OC2)cc1)[n]1cccc(c1)COc1ccc(cc1)C(=O)c1ccc(cc1)OCc1ccc[n]3c1.FC(F)(F)S(=O)(=O)[O-].N(C)(C)C=O.C(=O)N(C)C.FC(F)(F)S(=O)(=O)[O-].N(C=O)(C)C.N(C)(C)C=O
• Title of publication: Anion-Directed Formation and Degradation of an Interlocked Metallohelicate
• Authors of publication: Ryo Sekiya; Morihiko Fukuda; Reiko Kuroda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 10987 - 10997
• a: 9.7036 ± 0.0005 Å
• b: 16.2275 ± 0.0017 Å
• c: 22.5692 ± 0.0011 Å
• α: 80.041 ± 0.002°
• β: 87.649 ± 0.006°
• γ: 86.36 ± 0.004°
• Cell volume: 3491.6 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1935
• Residual factor for significantly intense reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.3
• Weighted residual factors for all reflections included in the refinement: 0.3284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No