Information card for entry 4072854

Structure parameters

• Formula: C28 H43 B2 K N2 O2
• Calculated formula: C28 H43 B2 K N2 O2
• SMILES: [K]([O]1CCCC1)[O]1CCCC1.N1(N(C(C)C)B(C(=[B]1c1ccccc1)C)c1ccccc1)C(C)C
• 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: 11.852 ± 0.007 Å
• b: 6.165 ± 0.002 Å
• c: 20.203 ± 0.013 Å
• α: 90°
• β: 96.06 ± 0.02°
• γ: 90°
• Cell volume: 1467.9 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No