Information card for entry 7016962

Structure parameters

• Formula: C63 H76 Mn3 N6 O51 P W12
• Calculated formula: C63 H75 Mn3 N6 O51 P W12
• SMILES: [Mn]123([N](=Cc4c(cccc4)O2)[C@@H]2CCCC[C@H]2[N]1=Cc1ccccc1O3)([OH]C)[OH2].[Mn]123([N]([C@H]4[C@@H](CCCC4)[N]1=Cc1c(cccc1)O2)=Cc1ccccc1O3)([OH2])[OH]C.[Mn]123([N]([C@H]4[C@@H](CCCC4)[N]1=Cc1c(cccc1)O2)=Cc1ccccc1O3)(O[W]1234[O]56=P78[O]9%10[W]%11%12%13(O[W]%146(O[W]65(O[W]5%15%16([O]%178[W]8%18(O[W]%19%20([O]%217[W](O%19)(O%14)(O%11)(O[W]%21(O%20)(O3)(O[W]%17(O%18)(O%15)(O4)=O)=O)=O)(O[W]%10(O8)(O%13)(O[W]9(O%16)(O6)(=O)O%12)=O)=O)(O5)=O)=O)(O1)=O)(O2)=O)=O)[OH]C
• Title of publication: Chiral salen-metal derivatives of polyoxometalates with asymmetric catalytic and photocatalytic activities.
• Authors of publication: Meng, Xing; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min; Li, Bo; Yang, Qi-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 39
• Pages of publication: 9964 - 9966
• a: 27.671 ± 0.005 Å
• b: 17.834 ± 0.005 Å
• c: 23.899 ± 0.005 Å
• α: 90°
• β: 95.821 ± 0.005°
• γ: 90°
• Cell volume: 11733 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No