Information card for entry 7028809

Structure parameters

• Formula: C14 H34 Cu Mo8 N8 O34
• Calculated formula: C14 H28 Cu Mo8 N8 O34
• SMILES: c12c[nH+]cc[n]1[Cu]1([n]3c(C(=O)O1)c[nH+]cc3)OC2=O.C(C[NH3+])[NH3+].[Mo]1234(O[Mo]56(=O)(O[Mo]78([O]1[Mo]19(=O)(O[Mo]%10%11(O[Mo]%12%13([O]%14[Mo]([O]267[Mo]%14(=O)(O5)([O]4%12)=O)([O]31%10%13)([O]89)(=O)O%11)(=O)=O)(=O)=O)=O)(=O)=O)=O)=O.O.O.C(C[NH3+])[NH3+].O.O
• Title of publication: pH and amine-induced various octamolybdate-based metal-organic complexes: assembly, structures and properties.
• Authors of publication: Wang, Xiuli; Han, Na; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2052 - 2060
• a: 8.4443 ± 0.0005 Å
• b: 10.7103 ± 0.0007 Å
• c: 11.8338 ± 0.0008 Å
• α: 71.646 ± 0.001°
• β: 84.246 ± 0.001°
• γ: 81.5 ± 0.001°
• Cell volume: 1003.01 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0253
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No