Information card for entry 4062574

Structure parameters

• Formula: C37 H37 B N2
• Calculated formula: C37 H37 B N2
• SMILES: n1(cc[n+](c1)CCCC#C)CCCC#C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 10.7263 ± 0.0016 Å
• b: 17.092 ± 0.002 Å
• c: 16.239 ± 0.002 Å
• α: 90°
• β: 92.631 ± 0.012°
• γ: 90°
• Cell volume: 2974.1 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No