Information card for entry 4108070

Structure parameters

• Common name: compound 2[B(ArF)4] in main text
• Formula: C104 H120 B F24 Mo2 N8
• Calculated formula: C104 H120 B F24 Mo2 N8
• Title of publication: Shining Light on Dinitrogen Cleavage: Structural Features, Redox Chemistry, and Photochemistry of the Key Intermediate Bridging Dinitrogen Complex
• Authors of publication: John J. Curley; Timothy R. Cook; Steven Y. Reece; Peter Müller; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 9394 - 9405
• a: 10.743 ± 0.0012 Å
• b: 34.303 ± 0.004 Å
• c: 27.698 ± 0.003 Å
• α: 90°
• β: 98.018 ± 0.002°
• γ: 90°
• Cell volume: 10107 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0963
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No