Information card for entry 4319770

Structure parameters

• Formula: C108 H140 Cr3 N14 O2
• Calculated formula: C108 H140 Cr3 N14 O2
• 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: 31.483 ± 0.006 Å
• b: 14.08 ± 0.002 Å
• c: 26.842 ± 0.004 Å
• α: 90°
• β: 123.385 ± 0.003°
• γ: 90°
• Cell volume: 9935 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.109
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections: 0.2162
• Weighted residual factors for significantly intense reflections: 0.1873
• Goodness-of-fit parameter for all reflections: 1.169
• Goodness-of-fit parameter for significantly intense reflections: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No