Information card for entry 7044466

Structure parameters

• Formula: C169 H240 F25 N24 O29 P4 Pd2
• Calculated formula: C169 H240 F25 N24 O29 P4 Pd2
• Title of publication: Hydrophobic metallo-supramolecular Pd2L4 Cages for zwitterionic guest encapsulation in organic solvents
• Authors of publication: Li, Yuhao; Zhang, Yan; Legrand, Yves-Marie; Van der Lee, Arie; Jiang, Ji-Jun; Chen, Cheng-Xia; Su, Cheng-Yong; Barboiu, Mihail
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 18.3978 ± 0.0004 Å
• b: 23.225 ± 0.0005 Å
• c: 26.4301 ± 0.0007 Å
• α: 111.241 ± 0.002°
• β: 99.224 ± 0.002°
• γ: 106.691 ± 0.002°
• Cell volume: 9630.5 ± 0.5 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 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: 0.0874
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No