Information card for entry 4113972

Structure parameters

• Formula: C94 H92 Mo4 N14 O14
• Calculated formula: C94 H92 Mo4 N14 O14
• Title of publication: Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures
• Authors of publication: F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8900 - 8910
• a: 10.613 ± 0.002 Å
• b: 24.806 ± 0.004 Å
• c: 33.84 ± 0.002 Å
• α: 90°
• β: 90.717 ± 0.01°
• γ: 90°
• Cell volume: 8908 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.143
• Weighted residual factors for significantly intense reflections: 0.1176
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No