Information card for entry 7100565

Structure parameters

• Formula: C58 H116 Ce2 I2 N8 Si6
• Calculated formula: C58 H116 Ce2 I2 N8 Si6
• SMILES: C12N(C=C(N1CCN([Ce]1=2([I][Ce]2(=C3N(C=C(N3CCN2C(C)(C)C)[Si](C)(C)C)C(C)(C)C)([I]1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C)C(C)(C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Regioselective C-H activation of lanthanide-bound N-heterocyclic carbenes
• Authors of publication: Polly Arnold; Stephen T. Liddle
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 11.7912 ± 0.0012 Å
• b: 14.8947 ± 0.0015 Å
• c: 22.118 ± 0.002 Å
• α: 90°
• β: 95.838 ± 0.002°
• γ: 90°
• Cell volume: 3864.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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