Information card for entry 4324451

Structure parameters

• Formula: C41 H93 K N3 O7 Si6 Y
• Calculated formula: C41 H93 K N3 O7 Si6 Y
• Title of publication: (N2)3- Radical Chemistry via Trivalent Lanthanide Salt/Alkali Metal Reduction of Dinitrogen: New Syntheses and Examples of (N2)2- and (N2)3- Complexes and Density Functional Theory Comparisons of Closed Shell Sc3+, Y3+, and Lu3+ versus 4f9 Dy3+
• Authors of publication: Ming Fang; Jefferson E. Bates; Sara E. Lorenz; David S. Lee; Daniel B. Rego; Joseph W. Ziller; Filipp Furche; William J. Evans
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1459 - 1469
• a: 12.0874 ± 0.0005 Å
• b: 30.8857 ± 0.0012 Å
• c: 15.7704 ± 0.0006 Å
• α: 90°
• β: 98.4181 ± 0.0005°
• γ: 90°
• Cell volume: 5824.1 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No