Information card for entry 7100566

Structure parameters

• Formula: C58 H116 N14 Nd2 Si6
• Calculated formula: C58 H116 N14 Nd2 Si6
• SMILES: C12N(C=C(N1CCN(C(C)(C)C)[Nd]1=2(N([Si](C)(C)C)[Si](C)(C)C)N=N#[N][Nd]2(=C3N(C=C(N3CCN2C(C)(C)C)[Si](C)(C)C)C(C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N=N#[N]1)[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: 11.2143 ± 0.0006 Å
• b: 15.5058 ± 0.0009 Å
• c: 22.3542 ± 0.0013 Å
• α: 90°
• β: 97.695 ± 0.002°
• γ: 90°
• Cell volume: 3852.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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