Information card for entry 7019750

Structure parameters

• Formula: C70 H134 Mn Mo6 N15 O26
• Calculated formula: C70 H134 Mn Mo6 N15 O26
• SMILES: C1C2(C[O]34[Mn]5678[O]91[Mo]1%10(O[Mo]%11%12([O]5(C2)[Mo]2(O[Mo]54(O[Mo]43(=O)(O[Mo]9([O]84CC(C[O]625)(C[O]71%12)NC(=O)Cn1cnc2c1ncnc2N)(O%10)(=O)=O)=O)(=O)=O)(=O)(=O)O%11)(=O)=O)(=O)=O)NC(=O)Cn1cnc2c1ncnc2N.[N+](CCCC)(CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Thermal-induced dynamic self-assembly of adenine-grafted polyoxometalate complexes.
• Authors of publication: He, Zhenfeng; Yan, Yi; Li, Bao; Ai, Hui; Wang, Huanbing; Li, Haolong; Wu, Lixin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 33
• Pages of publication: 10043 - 10051
• a: 9.5446 ± 0.0019 Å
• b: 16.699 ± 0.003 Å
• c: 19.874 ± 0.004 Å
• α: 77.67 ± 0.03°
• β: 87.67 ± 0.03°
• γ: 84.46 ± 0.03°
• Cell volume: 3079.4 ± 1.1 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: 0.2166
• Residual factor for significantly intense reflections: 0.1766
• Weighted residual factors for significantly intense reflections: 0.4753
• Weighted residual factors for all reflections included in the refinement: 0.5026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.698
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No