Information card for entry 7243750

Structure parameters

• Formula: C26 H24 Cd Mo12 N8 O46 P
• Calculated formula: C26 H24 Cd Mo12 N8 O46 P
• SMILES: [Mo]1234(O[Mo]567(O[Mo]89(O3)(O[Mo]3%10%11(O[Mo]%12%13%14(O[Mo]%15%16%17(O[Mo]%18%19(O1)(O[Mo]1%20(O2)(O[Mo]2(O[Mo]%21(O5)(O1)([O]%202=P([O]479)([O]%11%14[Mo](O%12)(O6)(O%21)(O%10)=O)[O]%17%19[Mo](O%18)(O%16)(O8)(O3)=O)=O)(O%15)(O%13)=O)=O)=O)=O)=O)=O)=O)=O)=O.[Cd]([n]1cn(c2cc(n3cncc3)cc(c2)C(=O)O)cc1)[n]1cn(c2cc(n3cncc3)cc(c2)C(=O)O)cc1.O.O
• Title of publication: A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors
• Authors of publication: Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 44
• Pages of publication: 7846 - 7854
• a: 13.2622 ± 0.0008 Å
• b: 13.533 ± 0.0008 Å
• c: 16.2984 ± 0.001 Å
• α: 87.28 ± 0.001°
• β: 74.467 ± 0.001°
• γ: 88.037 ± 0.001°
• Cell volume: 2814.5 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No