Information card for entry 4117418

Structure parameters

• Formula: C92.29 H95.19 Br2.1 Cl12 N13 O2 Pd6
• Calculated formula: C92.288 H84 Br2.096 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: 19.5464 ± 0.0011 Å
• b: 51.984 ± 0.003 Å
• c: 14.2556 ± 0.0007 Å
• α: 90°
• β: 91.3359 ± 0.001°
• γ: 90°
• Cell volume: 14481.2 ± 1.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.3072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No