Information card for entry 4346712

Structure parameters

• Formula: C32 H58 Co2 Mo10 N4 O57 Zn
• Calculated formula: C32 H28 Co2 Mo10 N4 O57 Zn
• SMILES: [Mo]123(O[Mo]45([O]6[Mo]7(=O)([O]8[Mo]9(=O)(O[Mo]%10%11([O]%12%13[Mo]%14%15(O[Mo]%16%12(=O)(=O)O[Mo]%12%17(O[Mo]%18%19(=O)([O]%201[Mo]1(=O)(=O)(O%18)[O]35[Co]368([O]2%14[Co]%13%20([O]%12%19)([O]%16%17)[O]%1113)[O]9%10%15)=O)(=O)=O)(=O)=O)(=O)=O)(O7)=O)(=O)O4)(=O)=O)(=O)=O.[Zn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=C([O-])/C=C/c1cc[nH+]cc1.[O-]C(=O)/C=C/c1cc[nH+]cc1.[O-]C(=O)/C=C/c1cc[nH+]cc1.O=C([O-])/C=C/c1cc[nH+]cc1.O.O.O.O.O
• Title of publication: Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.
• Authors of publication: An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 144 - 153
• a: 9.9857 ± 0.0007 Å
• b: 13.5087 ± 0.0008 Å
• c: 13.6003 ± 0.0008 Å
• α: 103.337 ± 0.003°
• β: 94.837 ± 0.004°
• γ: 104.866 ± 0.003°
• Cell volume: 1705.16 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No