Information card for entry 4113167

Structure parameters

• Common name: [Mo2(DAniF)3]2(dimethyloxamidate)(PF6)2,3(CH2Cl2)
• Formula: C97 H102 Cl6 F12 Mo4 N14 O14 P2
• Calculated formula: C97 H96 Cl6 F12 Mo4 N14 O14 P2
• 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: 12.4174 ± 0.0012 Å
• b: 15.1905 ± 0.0015 Å
• c: 15.8439 ± 0.0016 Å
• α: 103.991 ± 0.002°
• β: 90.298 ± 0.002°
• γ: 109.837 ± 0.002°
• Cell volume: 2715.4 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No