Information card for entry 4113971

Structure parameters

• Common name: [Mo2(DAniF)3]2(mu-2,3-dicyano-5,6-dioxypyrazinate),2(CH2Cl2),Et2O
• Formula: C102 H104 Cl4 Mo4 N16 O15
• Calculated formula: C102.262 H93.582 Cl4 Mo4 N16 O14.998
• 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: 16.581 ± 0.003 Å
• b: 17.679 ± 0.003 Å
• c: 18.365 ± 0.003 Å
• α: 90°
• β: 110.131 ± 0.003°
• γ: 90°
• Cell volume: 5054.5 ± 1.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No