Information card for entry 7030564

Structure parameters

• Formula: C38 H83 Mo6 N3 O18
• Calculated formula: C38 H83 Mo6 N3 O18
• SMILES: [Mo]1234([O]5678[Mo]9%10(=O)(O2)O[Mo]28(=O)(O4)O[Mo]46(=O)(O3)O[Mo]5(=O)(O9)(O[Mo]7(=O)(O1)(O%10)O4)O2)=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: 12.5288 ± 0.0004 Å
• b: 19.4569 ± 0.0006 Å
• c: 23.1302 ± 0.0007 Å
• α: 93.77 ± 0.001°
• β: 103.141 ± 0.001°
• γ: 91.499 ± 0.001°
• Cell volume: 5474 ± 0.3 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: 0.0891
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000463
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No