Information card for entry 7032596

Structure parameters

• Formula: C70 H162 Br2 Cr Mo6 N5 O24
• Calculated formula: C70 H162 Br2 Cr Mo6 N5 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: 16.5994 ± 0.0003 Å
• b: 26.2375 ± 0.0006 Å
• c: 22.12 ± 0.0004 Å
• α: 90°
• β: 91.7125 ± 0.0017°
• γ: 90°
• Cell volume: 9629.5 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No