Information card for entry 7052465

Structure parameters

• Formula: C46 H80 B K N4 O4
• Calculated formula: C46 H80 B K N4 O4
• SMILES: [K]1([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)[n]2c3[C@@H](C(C)C)CC[C@@H](C)c3cn2[B]2(C3CCCC2CCC3)n2cc3[C@@H](CC[C@@H](c3[n]12)C(C)C)C
• 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: 19.4597 ± 0.0019 Å
• b: 21.273 ± 0.002 Å
• c: 10.8452 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4489.5 ± 0.8 ų
• Cell temperature: 107 K
• Ambient diffraction temperature: 107.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4135
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7051232
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No