Information card for entry 5000333

Structure parameters

• Formula: C30 H44 B N4 Tl
• Calculated formula: C30 H44 B N4 Tl
• Title of publication: Chiral C2 and C1 symmetric (cyclooctane-1,5-diyl)bis(2-pyrazolyl)borate complexes of potassium and thallium. Preparation, structures and solution behavior
• Authors of publication: Chisholm, Malcolm H.; Iyer, Suri S.; Streib, William E.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 393 - 398
• a: 13.662 ± 0.002 Å
• b: 33.992 ± 0.005 Å
• c: 13.985 ± 0.002 Å
• α: 90°
• β: 119.107 ± 0.007°
• γ: 90°
• Cell volume: 5674.1 ± 1.6 ų
• Cell temperature: 109 K
• Ambient diffraction temperature: 109 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7485
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7051234
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No