Information card for entry 4316867

Structure parameters

• Common name: compound 4 in text
• Formula: C122.5 H158 B2 Cr2 F48 N2 O3.5 P8 Si2
• Calculated formula: C122.5 H146 B2 Cr2 F48 N2 O3.5 P8 Si2
• Title of publication: Unusual Electronic Effects Imparted by Bridging Dinitrogen: an Experimental and Theoretical Investigation
• Authors of publication: Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9497 - 9507
• a: 14.2386 ± 0.0005 Å
• b: 17.1753 ± 0.0006 Å
• c: 31.8445 ± 0.0011 Å
• α: 88.101 ± 0.002°
• β: 86.562 ± 0.002°
• γ: 69.587 ± 0.002°
• Cell volume: 7284.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.247
• Weighted residual factors for all reflections included in the refinement: 0.2768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No