Information card for entry 1512400

Structure parameters

• Formula: C48 H48 Mn3 N6 O49 P W12
• Calculated formula: C48 H42 Mn3 N6 O49 P W12
• SMILES: c1cccc2c1C=[N]1CC[N]3=Cc4c(cccc4)O[Mn]413([O]2[Mn]123([N](=Cc5c(cccc5)[O]42)CC[N]1=Cc1c(cccc1)O3)[OH2])[OH2].c1c2c(C=[N]3CC[N]4=Cc5c(cccc5)O[Mn]34(O2)[OH2])ccc1.[O]123=P45[O]67[W]89%10(O[W]%11%12%13(O[W]%14%15%16(O[W]%17%18%19([O]%204[W]4%21(O[W]7(O[W](O%21)(O%14)(=O)(O%12)[O]5%13%15)(O8)(O[W]56(O[W]%20(O4)(O[W]42(O[W]1(O%11)(O[W]3(O4)(=O)(O%16)O%19)(=O)O%10)(O5)=O)(=O)O%18)(O9)=O)=O)(=O)O%17)=O)=O)=O)=O
• Title of publication: Construction and property investigation of inorganic-organic hybrid materials based on metal-salens and Keggin polyoxometalates
• Authors of publication: Xing Meng; Hai-Ning Wang; Xin-Long Wang; Guang-Sheng Yang; Shuang Wang; Kui-Zhan Shao; Zhong-Min Su
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 390
• Pages of publication: 135 - 142
• a: 15.378 ± 0.005 Å
• b: 15.993 ± 0.005 Å
• c: 18.636 ± 0.005 Å
• α: 100.932 ± 0.005°
• β: 103.704 ± 0.005°
• γ: 101.332 ± 0.005°
• Cell volume: 4230 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0975
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No