Information card for entry 7112894

Structure parameters

• Formula: C24 H48 Mo12 N6 Na O65 P8
• Calculated formula: C24 H48 Mo12 N6 Na O65 P8
• SMILES: [Mo]1234(=[O][Na]56789%10[O]1P1(=[O][Mo]%11%12(=[O]7)(=O)[O]8P7(=[O][Mo]8%13(=[O]5)(=O)[O]6P5(=[O][Mo]6%14(=[O]9)(=O)[O]%10P9(=[O]4)[O]4[Mo]%10([O]%15[Mo]4(=O)(OC9(P%15(O6)=O)CCC[NH3+])(O%10)=O)(O%14)(=O)=O)[O]4[Mo]6([O]9[Mo]4(=O)(OC5(P9(O8)=O)CCC[NH3+])(O6)=O)(O%13)(=O)=O)[O]4[Mo]5([O]6[Mo]4(=O)(OC7(P6(O%11)=O)CCC[NH3+])(O5)=O)(O%12)(=O)=O)[O]4[Mo]5([O]6[Mo]4(=O)(OC1(P6(O2)=O)CCC[NH3+])(O5)=O)(O3)(=O)=O)=O.O.O.O.O.O.[NH2+](CC)CC.[NH2+](CC)CC
• Title of publication: Functionalized polyoxometalates with intrinsic photochromic properties and their association with spiropyran cations.
• Authors of publication: Compain, Jean-Daniel; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne; Oms, Olivier; Sécheresse, Francis; Marrot, Jérôme; Mialane, Pierre
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 41
• Pages of publication: 7733 - 7735
• a: 19.7317 ± 0.0012 Å
• b: 19.7317 ± 0.0012 Å
• c: 29.047 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11309.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No