Information card for entry 7019796

Structure parameters

• Formula: C44 H78 Mo12 N9 O52 P Zn4
• Calculated formula: C28 H24 Mo12 N8 O41 P Zn4
• SMILES: c1[n](c2c(cccc2)[nH]1)[Zn]12[O]3[Mo]45(O[Mo]678([O]1[Mo]198([O]6[Zn]6([n]8c[nH]c%10c8cccc%10)[O]8[Mo]%10([O]%11[Mo]%12%138([O]=P8%14O[Mo]%15%163([O]4[Zn]3([n]4c[nH]c%17c4cccc%17)[O]4[Mo]([O]6[Mo]4(O8)(O7)(O5)=O)(O[Mo]45([O]3[Mo]35([O]4[Zn]%11([n]4c[nH]c5c4cccc5)[O]4[Mo]([O]2[Mo]4(O%14)(O9)(O%10)=O)(O3)(=O)O%16)(O%15)=O)(O%12)=O)(=O)O%13)=O)=O)(O1)=O)=O)=O)=O.O
• Title of publication: ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids.
• Authors of publication: Rodriguez-Albelo, L Marleny; Rousseau, Guillaume; Mialane, Pierre; Marrot, Jérôme; Mellot-Draznieks, Caroline; Ruiz-Salvador, A Rabdel; Li, Shiwen; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Dolbecq, Anne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 33
• Pages of publication: 9989 - 9999
• a: 15.27 ± 0.003 Å
• b: 15.27 ± 0.003 Å
• c: 18.496 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4312.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No