Information card for entry 4114314

Structure parameters

• Common name: [Mo2(DAniF)3]2(C16H14N2O4),2(CH2Cl2)
• Formula: C108 H108 Cl4 Mo4 N14 O16
• Calculated formula: C108 H106 Cl4 Mo4 N14 O16
• Title of publication: Modifying Electronic Communication in Dimolybdenum Units by Linkage Isomers of Bridged Oxamidate Dianions
• 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: 2003
• Journal volume: 125
• Pages of publication: 13564 - 13575
• a: 20.5501 ± 0.0013 Å
• b: 18.9896 ± 0.0012 Å
• c: 28.821 ± 0.0018 Å
• α: 90°
• β: 105.4 ± 0.001°
• γ: 90°
• Cell volume: 10843.2 ± 1.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No