Information card for entry 4113165

Structure parameters

• Common name: [Mo2(DAniF)3]2(C4H6N2O2),4(ClCH2CH2Cl)
• Formula: C102 H112 Cl8 Mo4 N14 O14
• Calculated formula: C102 H112 Cl8 Mo4 N14 O14
• 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: 30.8915 ± 0.0015 Å
• b: 13.9299 ± 0.0007 Å
• c: 26.4715 ± 0.0013 Å
• α: 90°
• β: 107.957 ± 0.001°
• γ: 90°
• Cell volume: 10836.2 ± 0.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No