Information card for entry 7226549

Structure parameters

• Formula: C12 H60 Co2 Mo10 N18 O56 Zn3
• Calculated formula: C12 H18 Co2 Mo10 N18 O56 Zn3
• SMILES: c1[n]2[n](c[nH]1)[Zn]134([n]5c[nH]c[n]5[Zn]2([OH2])([OH2])([OH2])[n]2c[nH]c[n]42)[n]2c[nH]c[n]2[Zn]([n]2c[nH]c[n]12)([n]1c[nH]c[n]31)([OH2])([OH2])[OH2].[O]123[Co]4567[O]89[Mo]%10%11(=O)([O]%124[Co]4%13%141[O]1%10[Mo]38(=O)(=O)O[Mo]39(O[Mo]8(O[Mo]9(=O)([O]58)(=O)[O]57[Mo]%12([O]74[Mo]25(=O)(=O)O[Mo]27(O[Mo]4(O[Mo]1(=O)([O]%134)(=O)O%11)(=O)(=O)[O]%142)(=O)=O)(=O)(=O)O9)(=O)(=O)[O]63)(=O)=O)=O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Syntheses, structures and catalytic properties of organic‒inorganic hybrid materials constructed from Evans−Showell-type polyoxometalates and zinc-organic coordination units
• Authors of publication: Fei, Fei; An, Haiyan; Xu, Tieqi; Meng, Changgong
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 15.368 ± 0.004 Å
• b: 16.952 ± 0.004 Å
• c: 25.834 ± 0.006 Å
• α: 90°
• β: 99.678 ± 0.003°
• γ: 90°
• Cell volume: 6634 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No