Information card for entry 4063168

Structure parameters

• Formula: C59 H80 B4 Li4 N18 O3
• Calculated formula: C59 H80 B4 Li4 N18 O3
• SMILES: [Li]1([O]2CCCC2)([n]2[nH]ccc2)[n]2[n](ccc2)[B]([n]2[n]1ccc2)(C(C)(C)C)c1cc(ccc1)[B]12[OH]([Li])[Li]4([n]5[n]2ccc5)[n]5ccc[n]5[B](c5cc([B]6([n]7[n](ccc7)[Li]([n]7[n]1ccc7)([O]1CCCC1)[n]1[n]6ccc1)C(C)(C)C)ccc5)([n]1[n]4ccc1)C(C)(C)C
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 13.7072 ± 0.0018 Å
• b: 14.255 ± 0.002 Å
• c: 19.55 ± 0.003 Å
• α: 96.557 ± 0.011°
• β: 107.462 ± 0.01°
• γ: 113.098 ± 0.01°
• Cell volume: 3232.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: No
• Has Fobs: No