Information card for entry 7030565

Structure parameters

• Formula: C38 H83 Mo6 N3 O18
• Calculated formula: C38 H83 Mo6 N3 O18
• SMILES: [Mo]1234(=O)[O]5678[Mo]9%10(O[Mo]%115(=O)(O[Mo]58(=O)(O[Mo]7(=O)(O[Mo]6(=O)(O2)(O9)O5)(O%11)O3)O%10)O1)(O4)=NC1CCCCC1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Convenient syntheses and structural characterizations of mono-substituted alkylimido hexamolybdates: [Mo6O18(NR)]2− (R = Me, Et, n-Pr, i-Pr, n-Bu, t-Bu, Cy, Hex, Ode)
• Authors of publication: Li, Qiang; Wang, Longsheng; Yin, Panchao; Wei, Yongge; Hao, Jian; Zhu, Yulin; Zhu, Li; Yuan, Gu
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 7
• Pages of publication: 1172 - 1179
• a: 30.461 ± 0.006 Å
• b: 16.39 ± 0.003 Å
• c: 22.807 ± 0.005 Å
• α: 90°
• β: 96.97 ± 0.03°
• γ: 90°
• Cell volume: 11302 ± 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: 0.082
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000464
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No