Information card for entry 7040501

Structure parameters

• Formula: C27 H21 B N2
• Calculated formula: C27 H21 B N2
• SMILES: n12c(cc3c1cccc3)C=[N](c1ccccc1)[B]2(c1ccccc1)c1ccccc1
• Title of publication: Boron complexes of aromatic ring fused iminopyrrolyl ligands: synthesis, structure, and luminescence properties.
• Authors of publication: Suresh, D.; Ferreira, Bruno; Lopes, Patrícia S; Gomes, Clara S. B.; Krishnamoorthy, Paramasivam; Charas, Ana; Vila-Viçosa, Diogo; Morgado, Jorge; Calhorda, Maria José; Maçanita, António L; Gomes, Pedro T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15603 - 15620
• a: 8.9836 ± 0.0003 Å
• b: 13.3666 ± 0.0004 Å
• c: 17.2368 ± 0.0006 Å
• α: 90°
• β: 94.218 ± 0.002°
• γ: 90°
• Cell volume: 2064.19 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No