Information card for entry 7101160

Structure parameters

• Formula: C40 H128 Mo36 N8 O156
• Calculated formula: C40 H20 Mo36 N8 O156
• Title of publication: A mesoporous hydrogen-bonded organic-inorganic framework bearing the isopolymolybdate [Mo36O112(OH2)16]8-
• Authors of publication: Reinaldo Atencio; Alexander Briceno; Xacvier Galindo
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 5
• a: 18.756 ± 0.004 Å
• b: 22.961 ± 0.007 Å
• c: 19.81 ± 0.005 Å
• α: 90°
• β: 106.869 ± 0.014°
• γ: 90°
• Cell volume: 8164 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No