Information card for entry 1559857

Structure parameters

• Formula: C20 H24 B2 N2 O4
• Calculated formula: C20 H24 B2 N2 O4
• SMILES: O1c2ccccc2O[B]21[N]1([B]3(Oc4ccccc4O3)[N]32CCCC3)CCCC1
• Title of publication: Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H₂.
• Authors of publication: Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2540 - 2548
• a: 9.273 ± 0.002 Å
• b: 18.201 ± 0.004 Å
• c: 11.69 ± 0.003 Å
• α: 90°
• β: 106.121 ± 0.008°
• γ: 90°
• Cell volume: 1895.4 ± 0.8 ų
• Cell temperature: 208 K
• Ambient diffraction temperature: 208 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: 0.0702
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No