Information card for entry 7051231

Structure parameters

• Formula: C42 H70 B K N4 O3
• Calculated formula: C42 H50 B K N4 O3
• 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: 11.064 ± 0.003 Å
• b: 18.385 ± 0.006 Å
• c: 11.155 ± 0.003 Å
• α: 90°
• β: 110.465 ± 0.015°
• γ: 90°
• Cell volume: 2125.8 ± 1.1 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 6
• 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: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6176
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No