Information card for entry 4100740

Structure parameters

• Formula: C41 H94 Ca K N3 O7 Si6
• Calculated formula: C41 H94 Ca K N3 O7 Si6
• SMILES: [K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1.c1(ccccc1)C.[Ca](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[N]([Si](C)(C)C)[Si](C)(C)C
• Authors of publication: He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 12.221 ± 0.0003 Å
• b: 30.8573 ± 0.0007 Å
• c: 15.7275 ± 0.0004 Å
• α: 90°
• β: 93.785 ± 0.001°
• γ: 90°
• Cell volume: 5918 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No