Information card for entry 7051233

Structure parameters

• Formula: C42 H68 B K N4 O3
• Calculated formula: C42 H68 B K N4 O3
• SMILES: [K+].[B-]1(C2CCCC1CCC2)(n1nc2c(c1)[C@H]1CC[C@@]2(C1(C)C)C)n1nc2c(c1)[C@@H]1CC[C@]2(C1(C)C)C.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 12.445 ± 0.005 Å
• b: 17.492 ± 0.007 Å
• c: 11.194 ± 0.004 Å
• α: 93.05 ± 0.02°
• β: 115.304 ± 0.019°
• γ: 69.3 ± 0.02°
• Cell volume: 2046.9 ± 1.5 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No