Information card for entry 7247147

Structure parameters

• Formula: C24 H20 B2 N6 O4
• Calculated formula: C24 H20 B2 N6 O4
• Title of publication: Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands
• Authors of publication: Easmin, Samina; Pedireddi, Venkateswara Rao
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 33
• Pages of publication: 23267 - 23284
• a: 8.2777 ± 0.0005 Å
• b: 7.1087 ± 0.0004 Å
• c: 19.6723 ± 0.0009 Å
• α: 90°
• β: 95.218 ± 0.002°
• γ: 90°
• Cell volume: 1152.79 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0582
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No