Information card for entry 7033785

Structure parameters

• Formula: C41.5 H74.5 Mo6 N4.5 O21
• Calculated formula: C41.5 H74.5 Mo6 N4.5 O21
• SMILES: [Mo]1234(=Nc5c(cc(cc5C)C[N+]5(CCOCC5)Cc5ccccc5)C)[O]5678[Mo]9%10(=O)(O1)O[Mo]15(=O)(O2)O[Mo]26(=O)(O3)O[Mo]7(=O)(O4)(O9)O[Mo]8(=O)(O%10)(O1)O2.C(CCC)[N+](CCCC)(CCCC)CCCC.O=CN(C)C.O=CN(C)C.OCC
• Title of publication: N-alkylation of organo-imido substituted polyoxometalates: an efficient and stoichiometric approach for the easy post-modification of polyoxometalates.
• Authors of publication: Khan, Rao Naumaan Nasim; Lv, Chunlin; Zhang, Jin; Hao, Jian; Wei, Yongge
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4568 - 4575
• a: 12.166 ± 0.002 Å
• b: 18.354 ± 0.004 Å
• c: 25.684 ± 0.005 Å
• α: 88.38 ± 0.03°
• β: 86.07 ± 0.03°
• γ: 89.3 ± 0.03°
• Cell volume: 5719 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No