Information card for entry 7700824

Structure parameters

• Formula: C44 H48 B N2
• Calculated formula: C44 H48 B N2
• Title of publication: Boron complexes of aromatic 5-substituted iminopyrrolyl ligands: synthesis, structure, and luminescence properties.
• Authors of publication: Rodrigues, Ana I.; Figueira, Cláudia A; Gomes, Clara S. B.; Suresh, D.; Ferreira, Bruno; Di Paolo, Roberto E.; Pereira, Daniel de Sa; Dias, Fernando B.; Calhorda, Maria José; Morgado, Jorge; Maçanita, António L; Gomes, Pedro T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 35
• Pages of publication: 13337 - 13352
• a: 11.832 ± 0.002 Å
• b: 14.352 ± 0.003 Å
• c: 21.983 ± 0.004 Å
• α: 90°
• β: 103.421 ± 0.007°
• γ: 90°
• Cell volume: 3631.1 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.2451
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No