Information card for entry 4117421

Structure parameters

• Formula: C97.35 H98.56 Br3.78 Cl12 N13 O2 Pd6
• Calculated formula: C97.346 H84 Br3.782 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: 19.6214 ± 0.0009 Å
• b: 52.237 ± 0.003 Å
• c: 14.3071 ± 0.0007 Å
• α: 90°
• β: 90.8429 ± 0.001°
• γ: 90°
• Cell volume: 14662.7 ± 1.3 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 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: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.2697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No