Information card for entry 4108073

Structure parameters

• Common name: compound 2 in main text
• Formula: C77 H120 Mo2 N8
• Calculated formula: C77 H120 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: 21.706 ± 0.008 Å
• b: 11.313 ± 0.004 Å
• c: 31.325 ± 0.011 Å
• α: 90°
• β: 99.944 ± 0.006°
• γ: 90°
• Cell volume: 7577 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No