Information card for entry 7234419

Structure parameters

• Formula: C14 H10 B Cl F2 N4 O5
• Calculated formula: C14 H10 B Cl F2 N4 O5
• SMILES: c12ccccn1cc1c3c([nH+]c4ccccn34)O[B](F)(F)[n]21.Cl(=O)(=O)(=O)[O-]
• Title of publication: Morphology-controllable fabrication of organic microcrystals by solid-phase reactions: revealing morphology-sensitive highly efficient phosphorescence and enhanced near-infrared absorption
• Authors of publication: Guo-Ping Yong; Chen Shen; Cong Zhang; Yu-Mei Zhao
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 9048 - 9052
• a: 20.522 ± 0.004 Å
• b: 5.1557 ± 0.0009 Å
• c: 15.049 ± 0.003 Å
• α: 90°
• β: 97.992 ± 0.002°
• γ: 90°
• Cell volume: 1576.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No