Information card for entry 7032885

Structure parameters

• Formula: C59 H76 B2 O4 Th
• Calculated formula: C59 H76.25 B2 O4 Th
• Title of publication: Arene-ligated heteroleptic terphenolate complexes of thorium.
• Authors of publication: McKinven, Jamie; Nichol, Gary S.; Arnold, Polly L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17416 - 17421
• a: 8.3108 ± 0.0002 Å
• b: 12.9109 ± 0.0003 Å
• c: 12.9173 ± 0.0002 Å
• α: 99.86 ± 0.002°
• β: 98.224 ± 0.002°
• γ: 98.203 ± 0.002°
• Cell volume: 1331.5 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No