Information card for entry 4069756

Structure parameters

• Formula: C23 H23 B F6 N2
• Calculated formula: C23 H23 B F6 N2
• SMILES: F[B]1(n2c(c(c(c2C=c2[n]1c(c(c2C)CC)C)C)CC)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Perfluoroaryl-Substituted Boron Dipyrrinato Complexes
• Authors of publication: Bonnier, Catherine; Piers, Warren E.; Al-Sheikh Ali, Adeeb; Thompson, Alison; Parvez, Masood
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4845
• a: 9.399 ± 0.004 Å
• b: 15.11 ± 0.009 Å
• c: 15.337 ± 0.008 Å
• α: 90°
• β: 96.84 ± 0.03°
• γ: 90°
• Cell volume: 2162.6 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No