Information card for entry 7006923

Structure parameters

• Common name: Compound 4b
• Formula: C57 H15 B2 F30 N3
• Calculated formula: C57 H15 B2 F30 N3
• SMILES: N(=C=N[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)C#[N][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[C+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The synthesis of new weakly coordinating diborate anions: anion stability as a function of linker structure and steric bulk.
• Authors of publication: Hannant, Mark H.; Wright, Joseph A.; Lancaster, Simon J.; Hughes, David L.; Horton, Peter N.; Bochmann, Manfred
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 20
• Pages of publication: 2415 - 2426
• a: 20.132 ± 0.004 Å
• b: 9.13 ± 0.0018 Å
• c: 28.525 ± 0.006 Å
• α: 90°
• β: 107.92 ± 0.03°
• γ: 90°
• Cell volume: 4988.7 ± 1.9 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 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: 0.1587
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No