Information card for entry 4120254

Structure parameters

• Common name: bio-MOF-101
• Formula: C46 H26 N10 O13 Zn4
• Calculated formula: C46 H26 N10 O13 Zn4
• Title of publication: Stepwise Ligand Exchange for the Preparation of a Family of Mesoporous MOFs
• Authors of publication: Tao Li; Mark T. Kozlowski; Evan A. Doud; Maike N. Blakely; Nathaniel L. Rosi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11688 - 11691
• a: 62.039 ± 0.005 Å
• b: 62.039 ± 0.005 Å
• c: 62.039 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 238778 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No