Information card for entry 4319768

Structure parameters

• Formula: C75 H64 Mo2 N12
• Calculated formula: C75.001 H56 Mo2 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: 10.601 ± 0.002 Å
• b: 32.432 ± 0.002 Å
• c: 18.809 ± 0.004 Å
• α: 90°
• β: 106.149 ± 0.009°
• γ: 90°
• Cell volume: 6211.6 ± 1.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1384
• Weighted residual factors for significantly intense reflections: 0.1202
• Goodness-of-fit parameter for all reflections: 1.135
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No