Information card for entry 4100746

Structure parameters

• Formula: C48 H102 Al K N2 O6 Si3
• Calculated formula: C48 H102 Al K N2 O6 Si3
• SMILES: [K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.[Si]([Al]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)(C)(C(C)(C)C)C(C)(C)C.c1ccccc1
• Authors of publication: Zhang, Liming; Kozmin, Sergey A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 12.212 ± 0.0005 Å
• b: 14.966 ± 0.0007 Å
• c: 16.599 ± 0.0009 Å
• α: 85.441 ± 0.003°
• β: 84.227 ± 0.003°
• γ: 83.41 ± 0.003°
• Cell volume: 2991.3 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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