Information card for entry 4319769

Structure parameters

• Formula: C74 H70 Cr2 N12
• Calculated formula: C74.03 H56 Cr2 N12
• Title of publication: Di- and Trinuclear Complexes with the Mono- and Dianion of 2,6-Bis(phenylamino)pyridine: High-Field Displacement of Chemical Shifts Due to the Magnetic Anisotropy of Quadruple Bonds
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Peng Lei; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2778 - 2784
• a: 14.521 ± 0.005 Å
• b: 25.003 ± 0.005 Å
• c: 17.664 ± 0.004 Å
• α: 90°
• β: 108.03 ± 0.03°
• γ: 90°
• Cell volume: 6098 ± 3 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: 0.1099
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections: 0.2425
• Weighted residual factors for significantly intense reflections: 0.2033
• Goodness-of-fit parameter for all reflections: 1.122
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No