Information card for entry 7114645

Structure parameters

• Formula: C20 H17 B F2 N4
• Calculated formula: C20 H17 B F2 N4
• SMILES: F[B]1(F)[N](=NC(=NN1c1ccccc1)c1ccc(cc1)C)c1ccccc1
• Title of publication: Synthesis and ligand-based reduction chemistry of boron difluoride complexes with redox-active formazanate ligands
• Authors of publication: M.C. Chang; E. Otten
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7431
• a: 10.416 ± 0.0006 Å
• b: 18.8213 ± 0.0011 Å
• c: 9.2633 ± 0.0005 Å
• α: 90°
• β: 101.539 ± 0.002°
• γ: 90°
• Cell volume: 1779.3 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No