Information card for entry 1562701

Structure parameters

• Formula: C25 H47 Mo12 N11 O46 Si
• Calculated formula: C25 H47 Mo12 N11 O46 Si
• SMILES: c1c(ccc[nH+]1)N.c1c(ccc[nH+]1)N.Nc1cc(N)cnc1.O1[Mo]234(O[Mo]567(O[Mo]891([O]1%10[Mo]%11%12(O8)(O[Mo]81(O9)(O[Mo]19(O[Mo]%13%14(O2)([O]31[Si]1%10[O]27[Mo]3(O[Mo]7%10(O%14)([O]%141[Mo](O7)(O[Mo]%14(O%11)(O%10)(O[Mo]2(O%12)(O5)(O3)=O)=O)(O8)(O9)=O)=O)(O%13)(O6)=O)=O)(O4)=O)=O)=O)=O)=O)=O.O.O.O.c1c(ccc[nH+]1)N.c1c(ccc[nH+]1)N.O.O.O
• Title of publication: Crystal structure and catalytic properties of three inorganic–organic hybrid constructed from heteropolymolybdate and aminopyridine
• Authors of publication: Deng, Qian; Huang, Yilan; Peng, Zhenshan; Dai, Zengjin; Lin, Minru; Cai, Tiejun
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 200
• Pages of publication: 60 - 69
• a: 14.3504 ± 0.0002 Å
• b: 14.3504 ± 0.0002 Å
• c: 29.0183 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5975.85 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No