Information card for entry 4346707

Structure parameters

• Formula: C48 H72 Co2 Mo10 N6 O60
• Calculated formula: C48 H42 Co2 Mo10 N6 O60
• SMILES: [Mo]123(=O)(=O)[O]45[Mo]67(=O)([O]89[Mo]%10%11(=O)(O[Mo]%128(=O)([O]8%13[Mo]%14(=O)(=O)([O]%152[Mo]2([O]%16[Mo](=O)(=O)([O]%10[Co]498%15%16)(O%11)O2)(=O)(=O)O1)[O]13[Mo]2([O]3[Mo]4(=O)(=O)(O2)O[Mo]2(=O)(=O)([O]4[Co]5%1313[O]6%122)O7)(=O)(=O)O%14)=O)=O)=O.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=C([O-])/C=C/c1cc[nH+]cc1.O=C([O-])/C=C/c1cc[nH+]cc1.O.O.O.O.O.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: 10.2725 ± 0.0008 Å
• b: 14.137 ± 0.0011 Å
• c: 30.687 ± 0.003 Å
• α: 97.473 ± 0.005°
• β: 97.513 ± 0.005°
• γ: 109.476 ± 0.004°
• Cell volume: 4092.9 ± 0.6 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.1171
• Weighted residual factors for significantly intense reflections: 0.2955
• Weighted residual factors for all reflections included in the refinement: 0.3046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No