Information card for entry 7101216

Structure parameters

• Formula: C96 H144 Cl Mn N14 O28 Zn2
• Calculated formula: C66 H58 Cl Mn N4 O10 Zn2
• Title of publication: A metal-organic framework material that functions as an enantioselective catalyst for olefin epoxidation
• Authors of publication: Joseph Hupp; So-Hye Cho.; Baoqing Ma.; Sonbinh Nguyen.
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 24
• a: 15.1376 ± 0.0018 Å
• b: 15.2092 ± 0.0018 Å
• c: 26.3 ± 0.003 Å
• α: 73.271 ± 0.002°
• β: 77.508 ± 0.002°
• γ: 82.596 ± 0.002°
• Cell volume: 5647.2 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No