Information card for entry 7039815

Structure parameters

• Formula: C28 H50 Cu2 Mo6 N8 O38 Te
• Calculated formula: C28 H50 Cu2 Mo6 N8 O38 Te
• SMILES: C(=O)(NCCNC(=O)c1cc[nH+]cc1)c1cc[n](cc1)[Cu]1([O]=[Mo]234(O[Mo]56(=O)(=O)[O]3[Te]3789[O]2[Mo]2(=[O]1)(O[Mo]1(O[Mo]%10%11(=[O][Cu]([n]%12ccc(C(=O)NCCNC(=O)c%13cc[nH+]cc%13)cc%12)([O]=[Mo]([O]3%10)(O5)([O]68)(=O)O%11)([OH2])([OH2])[OH2])([O]71)=O)(=O)(=O)[O]92)(=O)O4)=O)([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: A series of Anderson-type polyoxometalate-based metal-organic complexes: their pH-dependent electrochemical behaviour, and as electrocatalysts and photocatalysts.
• Authors of publication: Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Wang, Xiang; Liu, Guocheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 31
• Pages of publication: 12465 - 12478
• a: 8.702 ± 0.0005 Å
• b: 11.625 ± 0.0007 Å
• c: 13.729 ± 0.0009 Å
• α: 73.65 ± 0.001°
• β: 82.113 ± 0.001°
• γ: 83.94 ± 0.001°
• Cell volume: 1316.79 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.045
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No