Information card for entry 4072851

Structure parameters

• Formula: C20 H27 B2 N2 Na
• Calculated formula: C20 H27 B2 N2 Na
• Title of publication: Alkali-Metal Sandwich Complexes of a 1,2-Diaza-3,5-diborolyl Ligand Featuring η1, η2, η3, and η4Coordination Modes
• Authors of publication: Ly, Hanh V.; Forster, Taryn D.; Corrente, Andrea M.; Eisler, Dana J.; Konu, Jari; Parvez, Masood; Roesler, Roland
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1750
• a: 11.711 ± 0.002 Å
• b: 10.17 ± 0.002 Å
• c: 17.149 ± 0.003 Å
• α: 90°
• β: 106.34 ± 0.03°
• γ: 90°
• Cell volume: 1960 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No