Information card for entry 4113970

Structure parameters

• Common name: [Mo2(DAniF)3]2(mu-2,3-dioxyquinoxalinate),3(CH2Cl2)
• Formula: C101 H100 Cl6 Mo4 N14 O14
• Calculated formula: C101 H100 Cl6 Mo4 N14 O14
• 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: 12.5325 ± 0.0008 Å
• b: 14.328 ± 0.0009 Å
• c: 15.3801 ± 0.001 Å
• α: 72.668 ± 0.001°
• β: 84.678 ± 0.001°
• γ: 72.656 ± 0.001°
• Cell volume: 2516.4 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No