Information card for entry 4324835

Structure parameters

• Formula: C150 H244 Cl Mn N29 O36 Zn2
• Calculated formula: C72 H62 Cl Mn N3 O10 Zn2
• Title of publication: Selective Surface and Near-Surface Modification of a Noncatenated, Catalytically Active Metal-Organic Framework Material Based on Mn(salen) Struts
• Authors of publication: Abraham M. Shultz; Omar K. Farha; Debashis Adhikari; Amy A. Sarjeant; Joseph T. Hupp; SonBinh T. Nguyen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3174 - 3176
• a: 11.1996 ± 0.0015 Å
• b: 15.786 ± 0.002 Å
• c: 26.213 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4634.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 16
• Hermann-Mauguin space group symbol: P 2 2 2
• Hall space group symbol: P 2 2
• Residual factor for all reflections: 0.2611
• Residual factor for significantly intense reflections: 0.1386
• Weighted residual factors for significantly intense reflections: 0.3131
• Weighted residual factors for all reflections included in the refinement: 0.374
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No