Information card for entry 4511135

Structure parameters

• Formula: C78 H156 Mo12 N6 O36
• Calculated formula: C78 H156 Mo12 N6 O36
• SMILES: [Mo]123456([Mo]789([O]%10%11%122[Mo]2(=O)(O[Mo]%13%12(=O)(O[Mo]%10(=O)(O2)(O[Mo]1%11(=O)(O3)(O8)O%13)O5)O7)(O4)O9)(=O)O6)=Nc1ccc(cc1C)c1ccc(N=[Mo]2345O[Mo]678([O]9%10%112[Mo]2(=O)(O3)(O[Mo]3%10(=O)(O[Mo]%11(=O)(O7)(O[Mo]9(=O)(O3)(O8)O2)O4)O5)O6)=O)c(c1)C.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Synthetic, Structural, Spectroscopic, Electrochemical Studies and Self-assembly of Nanoscale Polyoxometalate−Organic Hybrid Molecular Dumbbells
• Authors of publication: Zhu, Yi; Wang, Longsheng; Hao, Jian; Xiao, Zicheng; Wei, Yongge; Wang, Yuan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3509
• a: 23.374 ± 0.005 Å
• b: 25.243 ± 0.005 Å
• c: 19.13 ± 0.004 Å
• α: 90°
• β: 96.3 ± 0.03°
• γ: 90°
• Cell volume: 11219 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No