Information card for entry 4316866

Structure parameters

• Common name: compound 3(RT) in text
• Formula: C78 H118 B Cr2 F24 N2 P8 Si2
• Calculated formula: C78 H118 B Cr2 F24 N2 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: 14.6116 ± 0.0006 Å
• b: 30.4203 ± 0.0013 Å
• c: 24.9312 ± 0.001 Å
• α: 90°
• β: 96.848 ± 0.002°
• γ: 90°
• Cell volume: 11002.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.161
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2197
• 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