Information card for entry 4321135

Structure parameters

• Chemical name: Tetrakis(2,6-di(phenylimino)piperidinato)dimolybdenum(III,III) bis(tetrafluoroborate)
• Formula: C82 H89 B2 F8 Mo2 N17 O
• Calculated formula: C82 H64 B2 F8 Mo2 N17 O
• Title of publication: Oxidative Scission of a Mo-Mo Quadruple Bond
• Authors of publication: F. Albert Cotton; Carlos A. Murillo; Hong-Cai Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3261 - 3264
• a: 16.523 ± 0.005 Å
• b: 27.418 ± 0.005 Å
• c: 18.163 ± 0.003 Å
• α: 90°
• β: 93.48 ± 0.02°
• γ: 90°
• Cell volume: 8213 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections: 0.1472
• Weighted residual factors for significantly intense reflections: 0.131
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No