Information card for entry 4072852

Structure parameters

• Formula: C32 H51 B2 N2 Na O3
• Calculated formula: C32 H51 B2 N2 Na O3
• SMILES: [Na]1([C]2(=[B](N(N([B]12c1ccccc1)C(C)C)C(C)C)c1ccccc1)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 17.466 ± 0.004 Å
• b: 9.3578 ± 0.0019 Å
• c: 20.269 ± 0.004 Å
• α: 90°
• β: 90.48 ± 0.03°
• γ: 90°
• Cell volume: 3312.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1356
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No