Information card for entry 4117420

Structure parameters

• Formula: C90.1 H93.73 Br1.37 Cl12 N13 O2 Pd6
• Calculated formula: C90.098 H84 Br1.366 Cl12 N13 O2 Pd6
• Title of publication: Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability
• Authors of publication: Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2461 - 2464
• a: 19.5941 ± 0.0012 Å
• b: 52.174 ± 0.004 Å
• c: 14.3018 ± 0.0009 Å
• α: 90°
• β: 91.0613 ± 0.001°
• γ: 90°
• Cell volume: 14618.3 ± 1.7 ų
• Cell temperature: 99 K
• Ambient diffraction temperature: 99 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.2788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No