Information card for entry 7030566

Structure parameters

• Formula: C76 H170 Mo12 N6 O36
• Calculated formula: C76 H170 Mo12 N6 O36
• 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: 17.486 ± 0.004 Å
• b: 17.636 ± 0.004 Å
• c: 20.083 ± 0.004 Å
• α: 87.21 ± 0.03°
• β: 66.99 ± 0.03°
• γ: 88.72 ± 0.03°
• Cell volume: 5694 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000465
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No