Information card for entry 7032597

Structure parameters

• Formula: C70 H158 Br Cr Mo6 N4 O24
• Calculated formula: C70 H158 Br Cr Mo6 N4 O24
• Title of publication: Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.
• Authors of publication: Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17296 - 17302
• a: 16.1185 ± 0.0003 Å
• b: 15.6094 ± 0.0003 Å
• c: 18.3046 ± 0.0003 Å
• α: 90°
• β: 93.353 ± 0.0018°
• γ: 90°
• Cell volume: 4597.56 ± 0.14 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No