Information card for entry 4101139

Structure parameters

• Formula: C33.5 H49 Al Br Cl N2 O2
• Calculated formula: C33.5 H49 Al Br Cl N2 O2
• SMILES: [Al]123([N](=Cc4c(O2)c(C(C)(C)C)cc(C(C)(C)C)c4)CCC[N]1=Cc1c(O3)c(C(C)(C)C)cc(C(C)(C)C)c1)Br.C(Cl)Cl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 14.418 ± 0.0002 Å
• b: 14.8094 ± 0.0002 Å
• c: 17.2404 ± 0.0003 Å
• α: 76.0377 ± 0.0006°
• β: 69.8258 ± 0.0006°
• γ: 85.9439 ± 0.0006°
• Cell volume: 3352.95 ± 0.09 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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