Information card for entry 7128734

Structure parameters

• Formula: C30 H28 B N7
• Calculated formula: C30 H28 B N7
• SMILES: n1(nccc1)[B](n1nccc1)(c1ccc(cc1)C)c1[nH+]c(ccc1)C(c1ncccc1)(c1ncccc1)C
• Title of publication: A monoanionic pentadentate ligand platform for scandium-pnictogen multiple bonds.
• Authors of publication: Patrick, Evan A.; Yang, Yan; Piers, Warren E.; Maron, Laurent; Gelfand, Benjamin S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 69
• Pages of publication: 8640 - 8643
• a: 9.2828 ± 0.001 Å
• b: 12.509 ± 0.0014 Å
• c: 12.9773 ± 0.0014 Å
• α: 118.226 ± 0.001°
• β: 96.392 ± 0.001°
• γ: 94.616 ± 0.001°
• Cell volume: 1304.1 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No