Information card for entry 4116455

Structure parameters

• Formula: C80 H64 Cr4 N24
• Calculated formula: C80 H64 Cr4 N24
• Title of publication: Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 6856 - 6861
• a: 18.1 ± 0.004 Å
• b: 11.706 ± 0.002 Å
• c: 16.595 ± 0.003 Å
• α: 90°
• β: 102.48 ± 0.03°
• γ: 90°
• Cell volume: 3433 ± 1.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections: 0.156
• Weighted residual factors for significantly intense reflections: 0.133
• Goodness-of-fit parameter for all reflections: 1.209
• Goodness-of-fit parameter for significantly intense reflections: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No