Information card for entry 7016072

Structure parameters

• Formula: C48 H89 Mo6 N5 O18
• Calculated formula: C48 H89 Mo6 N5 O18
• SMILES: [Mo]1234([O]5678[Mo]9%10(=O)(O1)O[Mo]15(=O)(O2)O[Mo]27(=O)(O4)O[Mo]6(=O)(O3)(O9)O[Mo]8(=O)(O%10)(O1)O2)=Nc1c(cc(cc1)c1cc(c(N)cc1)C)C.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC
• Title of publication: Monosubstituted arylimido hexamolybdates containing pendant amino groups: synthesis and structural characterization.
• Authors of publication: Zhu, Yi; Xiao, Zicheng; Wang, Longsheng; Yin, Panchao; Hao, Jian; Wei, Yongge; Wang, Yuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 28
• Pages of publication: 7304 - 7309
• a: 16.867 ± 0.003 Å
• b: 17.653 ± 0.004 Å
• c: 21.675 ± 0.004 Å
• α: 90°
• β: 90.34 ± 0.03°
• γ: 90°
• Cell volume: 6454 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1032
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No