Information card for entry 7006920

Structure parameters

• Common name: Compound 1
• Formula: C56.5 H16 B Cl F27 N
• Calculated formula: C56.5 H16 B Cl F27 N
• 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: 9.753 ± 0.002 Å
• b: 14.636 ± 0.003 Å
• c: 18.783 ± 0.004 Å
• α: 86.81 ± 0.03°
• β: 76 ± 0.03°
• γ: 74.48 ± 0.03°
• Cell volume: 2506.6 ± 1 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.226
• Weighted residual factors for all reflections included in the refinement: 0.2565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No