Information card for entry 7019771

Structure parameters

• Formula: C48 H100 Mo6 N6 O17
• Calculated formula: C48 H100 Mo6 N6 O17
• SMILES: C1(CCCCC1)N=[Mo]1234[O]5678[Mo]9%10(=O)(O[Mo]%115(O1)(=NC1CCCCC1)O[Mo]16(=O)(O9)O[Mo]7(O2)(=O)(O[Mo]8(=O)(O4)(O%11)O1)O%10)O3.C(#N)C.[N+](CCCC)(CCCC)(CCCC)CCCC.C(#N)C.[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: 30.813 ± 0.006 Å
• b: 32.507 ± 0.007 Å
• c: 13.74 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13763 ± 5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No