Information card for entry 4342637

Structure parameters

• Formula: C62.5 H137.5 Al Mo6 N5.5 O25.5
• Calculated formula: C62.5 H137.5 Al Mo6 N5.5 O25.5
• SMILES: [Mo]123([O]45[Mo]6([O]78[Mo]9([O]%10%11[Mo]%12([O]%13%14[Mo]%15([O]%16([Mo](O%15)([O]1([Al]47%10%13%16)CC(C%14)(CC)C8)(O2)(=O)=O)CC(C5)(C%11)N)(O%12)(=O)=O)(=O)(O9)=O)(O6)(=O)=O)(O3)(=O)=O)(=O)=O.C(C[N+](CCCC)(CCCC)CCCC)CC.C([N+](CCCC)(CCCC)CCCC)CCC.[N+](CCCC)(CCCC)(CCCC)CCCC.O=CN(C)C.O=CN(C)C
• Title of publication: Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.
• Authors of publication: Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2551 - 2559
• a: 13.6974 ± 0.0002 Å
• b: 49.357 ± 0.0007 Å
• c: 25.1423 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16997.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No