Information card for entry 4113967

Structure parameters

• Common name: [Mo2(DAniF)3]2(mu-cyanurateH),C6H5Cl,Et2O
• Formula: C103 H106 Cl Mo4 N15 O16
• Calculated formula: C103 H106 Cl Mo4 N15 O16
• Title of publication: Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures
• Authors of publication: F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8900 - 8910
• a: 30.021 ± 0.002 Å
• b: 11.8606 ± 0.0009 Å
• c: 56.867 ± 0.004 Å
• α: 90°
• β: 94.857 ± 0.001°
• γ: 90°
• Cell volume: 20176 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No