Information card for entry 4307726

Structure parameters

• Common name: Beta-[Mo(DAniF)3]2(p-anisyloxamidate)(PF6)2
• Formula: C108 H108 Cl4 F12 Mo4 N14 O16 P2
• Calculated formula: C108 H108 Cl4 F12 Mo4 N14 O16 P2
• Title of publication: Electronic Localization versus Delocalization Determined by the Binding of the Linker in an Isomer Pair
• Authors of publication: F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Qinliang Zhao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2604 - 2611
• a: 16.489 ± 0.005 Å
• b: 17.873 ± 0.005 Å
• c: 20.498 ± 0.006 Å
• α: 74.728 ± 0.005°
• β: 75.07 ± 0.005°
• γ: 80.877 ± 0.006°
• Cell volume: 5604 ± 3 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: 0.0897
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No