Information card for entry 7113632

Structure parameters

• Formula: C21 H15 B F3 N3
• Calculated formula: C21 H15 B F3 N3
• SMILES: [B]1([n]2ccccc2c2n1nc(c2)C(F)(F)F)(c1ccccc1)c1ccccc1
• Title of publication: Syntheses and remarkable photophysical properties of 5-(2-pyridyl) pyrazolate boron complexes; photoinduced electron transfer
• Authors of publication: Cheng, Chung-Chih; Yu, Wei-Shan; Chou, Pi-Tai; Peng, Shie-Ming; Lee, Gene-Hsiang; Wu, Pei-Chi; Song, Yi-Hwa; Chi, Yun
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 2628 - 2629
• a: 9.2385 ± 0.0005 Å
• b: 11.4876 ± 0.0006 Å
• c: 17.0928 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1814.03 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104861
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No