Information card for entry 7037701

Structure parameters

• Formula: C30 H80 Mo12 N8 O74 Te2 Zn4
• Calculated formula: C30 H74 Mo12 N8 O74 Te2 Zn4
• SMILES: c1c(C(=O)NCCCNC(=O)c2c[nH+]ccc2)ccc[n]1[Zn]1([O]=[Mo]234([O]5[Mo]6(O[Mo]78(=O)(O[Mo]9%10(=[O][Zn]([OH2])([OH2])([OH2])([OH2])[OH2])([O]7[Te]7%115([O]5[Mo](O[Mo]5(O9)(=O)([O]%10%11)=O)(=O)([O]27)(O3)=[O][Zn]([n]2cc(ccc2)C(=O)NCCCNC(=O)c2c[nH+]ccc2)([O]=[Mo]235([O]7[Mo]9(O[Mo]%10%11(=O)(O[Mo]%12%13(O[Zn]([OH2])([OH2])([OH2])([OH2])[OH2])([O]%10[Te]%10%147([O]7[Mo](O1)(O[Mo]7(O%12)(=O)([O]%13%14)=O)(=O)([O]2%10)O3)[O]9%11)=O)=O)(=O)(O5)=O)=O)([OH2])([OH2])[OH2])[O]68)=O)=O)(=O)(O4)=O)=O)([OH2])([OH2])[OH2].O.O.O.O.O.O
• Title of publication: Novel Anderson-type [TeMo6O24](6-)-based metal-organic complexes tuned by different species and their coordination modes: assembly, various architectures and properties.
• Authors of publication: Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Tian, Aixiang; Liu, Guocheng; Wang, Xiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2709 - 2719
• a: 10.124 ± 0.0013 Å
• b: 13.375 ± 0.0016 Å
• c: 17.522 ± 0.002 Å
• α: 84.204 ± 0.003°
• β: 81.73 ± 0.003°
• γ: 76.211 ± 0.002°
• Cell volume: 2274.8 ± 0.5 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: 0.1289
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No