Information card for entry 7029243

Structure parameters

• Formula: C34 H32 B2 N4 O5
• Calculated formula: C34 H32 B2 N4 O5
• SMILES: [B@]12(N(C(=CC(=[N]1c1c(O2)cccc1)C)C)c1c(O)cccc1)O[B@@]12N(C(=CC(=[N]1c1c(O2)cccc1)C)C)c1c(O)cccc1.[B@@]12(N(C(=CC(=[N]1c1c(O2)cccc1)C)C)c1c(O)cccc1)O[B@]12N(C(=CC(=[N]1c1c(O2)cccc1)C)C)c1c(O)cccc1
• Title of publication: Hydrogen-bond-supported dimeric boron complexes of potentially tetradentate β-diketiminate ligands.
• Authors of publication: Barbon, Stephanie M.; Staroverov, Viktor N.; Boyle, Paul D.; Gilroy, Joe B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 240 - 250
• a: 11.679 ± 0.004 Å
• b: 18.005 ± 0.006 Å
• c: 15.166 ± 0.004 Å
• α: 90°
• β: 111.449 ± 0.012°
• γ: 90°
• Cell volume: 2968.2 ± 1.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.1263
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No