Information card for entry 4316864

Structure parameters

• Common name: compound 2 in text
• Formula: C46 H104 Cr2 N2 P8 Si2
• Calculated formula: C46 H104 Cr2 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: 18.0902 ± 0.0005 Å
• b: 19.6306 ± 0.0005 Å
• c: 34.351 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12198.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No