Information card for entry 4339066

Structure parameters

• Formula: C44 H50 Mo12 N10 Ni2 O54 Si
• Calculated formula: C44 H50 Mo12 N10 Ni2 O54 Si
• Title of publication: Zeolite ionic crystals assembled through direct incorporation of polyoxometalate clusters within 3D metal-organic frameworks.
• Authors of publication: Wei, Meilin; He, Cheng; Sun, Qiaozhen; Meng, Qingjin; Duan, Chunying
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5957 - 5966
• a: 11.43 ± 0.003 Å
• b: 12.242 ± 0.003 Å
• c: 14.279 ± 0.003 Å
• α: 106.196 ± 0.004°
• β: 94.316 ± 0.004°
• γ: 98.294 ± 0.003°
• Cell volume: 1884.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No