Information card for entry 7006247

Structure parameters

• Formula: C90 H73.5 B Cl10.5 N8 O4 P4 Tl
• Calculated formula: C90 H73.5 B Cl10.5 N8 O4 P4 Tl
• Title of publication: A novel tetrakis(pyrazolyl)borate ligand bearing triphenylphosphine oxide substituents.
• Authors of publication: Kealey, Steven; Long, Nicholas J.; White, Andrew J. P.; Gee, Antony D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 42
• Pages of publication: 4763 - 4765
• a: 14.611 ± 0.0003 Å
• b: 19.0394 ± 0.0003 Å
• c: 19.8132 ± 0.0004 Å
• α: 62.012 ± 0.002°
• β: 73.056 ± 0.002°
• γ: 85.878 ± 0.002°
• Cell volume: 4642.07 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No