Information card for entry 4113166

Structure parameters

• Common name: [Mo2(DAniF)3]2(C4H6N2O2)(PF6),6(THF)
• Formula: C118 H144 F6 Mo4 N14 O20 P
• Calculated formula: C118 H144 F6 Mo4 N14 O20 P
• Title of publication: Strong Electronic Coupling between Dimolybdenum Units Linked by the N,N'-Dimethyloxamidate Anion in a Molecule Having a Heteronaphthalene-like Structure
• Authors of publication: F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 14822 - 14831
• a: 14.3138 ± 0.0012 Å
• b: 15.6456 ± 0.0014 Å
• c: 29.435 ± 0.003 Å
• α: 74.917 ± 0.0017°
• β: 77.5606 ± 0.0019°
• γ: 80.3525 ± 0.0018°
• Cell volume: 6171.8 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1505
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No