Information card for entry 7019772

Structure parameters

• Formula: C40 H90 Mo6 N4 O17
• Calculated formula: C40 H90 Mo6 N4 O17
• SMILES: [Mo]1234(O[Mo]56(O1)(O[Mo]1(=O)(O2)O[Mo]2(=O)(O4)O[Mo](=O)(O3)(O5)O[Mo](=O)(O2)(O1)O6)=NC(C)(C)C)=NC(C)(C)C.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Syntheses and structural characterizations of di-substituted alkylimido hexamolybdates: an insight on bi-alkylimido functionalization.
• Authors of publication: Lv, Chunlin; Zhang, Jin; Hao, Jian; Liu, Lei; Wei, Yongge
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 33
• Pages of publication: 10065 - 10070
• a: 16.492 ± 0.003 Å
• b: 17.087 ± 0.003 Å
• c: 22.417 ± 0.005 Å
• α: 106.72 ± 0.03°
• β: 103 ± 0.03°
• γ: 96.29 ± 0.03°
• Cell volume: 5791 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0937
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No