Information card for entry 4307723

Structure parameters

• Common name: a-[Mo2(DAniF)3]2(p-anisyloxamidate)PF6
• Formula: C110 H112 Cl8 F6 Mo4 N14 O16 P
• Calculated formula: C110 H112 Cl8 F6 Mo4 N14 O16 P
• 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: 14.2863 ± 0.0007 Å
• b: 15.7924 ± 0.0008 Å
• c: 52.946 ± 0.003 Å
• α: 90°
• β: 93.432 ± 0.002°
• γ: 90°
• Cell volume: 11924 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• 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: 0.077
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No