Information card for entry 4341563

Structure parameters

• Formula: C21 H19 B F2 N4
• Calculated formula: C21 H19 B F2 N4
• SMILES: F[B]1(F)N(N=C(N=[N]1c1ccc(C)cc1)c1ccccc1)c1ccc(C)cc1
• Title of publication: Substituent-dependent optical and electrochemical properties of triarylformazanate boron difluoride complexes.
• Authors of publication: Barbon, Stephanie M.; Price, Jacquelyn T.; Reinkeluers, Pauline A.; Gilroy, Joe B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10585 - 10593
• a: 9.7298 ± 0.001 Å
• b: 18.713 ± 0.002 Å
• c: 10.3804 ± 0.0012 Å
• α: 90°
• β: 97.825 ± 0.006°
• γ: 90°
• Cell volume: 1872.4 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.211
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No