Information card for entry 7030561

Structure parameters

• Formula: C35 H79 Mo6 N3 O18
• Calculated formula: C35 H79 Mo6 N3 O18
• SMILES: [Mo]1234([O]5678[Mo]9%10(=O)(O[Mo]%115(=O)(O[Mo]57(=O)(O[Mo]8(=O)(O%11)(O[Mo]6(=O)(O5)(O%10)O4)O9)O1)O2)O3)=NC(C)C.[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: 12.47 ± 0.003 Å
• b: 19.02 ± 0.004 Å
• c: 23.237 ± 0.005 Å
• α: 93.59 ± 0.03°
• β: 102.64 ± 0.03°
• γ: 91.85 ± 0.03°
• Cell volume: 5361 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000460
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No