Information card for entry 4346700

Structure parameters

• Formula: C32 H58 Co3 Mo10 N4 O57
• Calculated formula: C32 H28 Co3 Mo10 N4 O57
• SMILES: [Mo]123(=O)(=O)O[Mo]45(=O)(=O)O[Mo]67(=O)(=O)[O]89[Mo]%10(=O)(=O)(O7)[O]7%11[Co]9%12%13%14%15[O]%16%17[Mo]%18(=O)(O2)(=O)[O]23[Mo]3%17(=O)(=O)[O]9%10[Co]2%11%12([O]46)([O]15)[O]%15%18[Mo]98(=O)(=O)O[Mo]17(=O)(=O)O[Mo]2(=O)(=O)([O]1%13)O[Mo]%16(O3)(=O)(=O)[O]2%14.[Co]([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: 9.9816 ± 0.0011 Å
• b: 13.5063 ± 0.0015 Å
• c: 13.6154 ± 0.0015 Å
• α: 103.21 ± 0.008°
• β: 94.992 ± 0.007°
• γ: 104.815 ± 0.008°
• Cell volume: 1706.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No