Information card for entry 1543967

Structure parameters

• Formula: C20 H32 Mo8 N8 O26
• Calculated formula: C20 H32 Mo8 N8 O26
• SMILES: [Mo]123(=O)(O[Mo](=O)(=O)O[Mo]45(O[Mo]67(=O)(O[Mo](O[Mo](O1)(=O)(=O)(O[Mo](=O)([O]56)O3)[O]2[Mo](O4)(=O)O7)(=O)=O)=O)(=O)=O)=O.n1(cc[n+](c1)CCn1c[n+](cc1)C)C.n1(cc[n+](c1)CCn1c[n+](cc1)C)C
• Title of publication: Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)
• Authors of publication: Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 418 - 426
• a: 20.1811 ± 0.0018 Å
• b: 10.64 ± 0.001 Å
• c: 20.2459 ± 0.0018 Å
• α: 90°
• β: 109.363 ± 0.01°
• γ: 90°
• Cell volume: 4101.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No