Information card for entry 4105290

Structure parameters

• Formula: C32 H61 Mo6 N1.5 O25 P0.5 Zn2
• Calculated formula: C32 H4 Mo6 N1.5 O24 P0.5 Zn2
• Title of publication: Zeolitic Polyoxometalate-Based Metal-Organic Frameworks (Z-POMOFs): Computational Evaluation of Hypothetical Polymorphs and the Successful Targeted Synthesis of the Redox-Active Z-POMOF1
• Authors of publication: L. Marleny Rodriguez-Albelo; A. Rabdel Ruiz-Salvador; Alvaro Sampieri; Dewi W. Lewis; Ariel Gómez; Brigitte Nohra; Pierre Mialane; Jérôme Marrot; Francis Sécheresse; Caroline Mellot-Draznieks; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Anne Dolbecq
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16078 - 16087
• a: 15.0956 ± 0.0011 Å
• b: 27.0921 ± 0.0019 Å
• c: 25.7271 ± 0.0018 Å
• α: 90°
• β: 106.834 ± 0.002°
• γ: 90°
• Cell volume: 10070.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No