Information card for entry 4106445

Structure parameters

• Formula: C40 H54 N4 Ni2 O21
• Calculated formula: C40 H30 N4 Ni2 O21
• Title of publication: Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation
• Authors of publication: Dong Liu; Jian-Ping Lang; Brendan F. Abrahams
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11042 - 11045
• a: 15.571 ± 0.003 Å
• b: 23.296 ± 0.005 Å
• c: 32.328 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11727 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No