Information card for entry 7100563

Structure parameters

• Formula: C47.5 H104 I2 N8 Nd2 Si6
• Calculated formula: C44 H100 I2 N8 Nd2 Si6
• SMILES: C12N(C=C(N1CCN(C(C)(C)C)[Nd]1=2([I][Nd]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)[Si](C)(C)C)C(C)(C)C
• 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: 11.28 ± 0.002 Å
• b: 14.204 ± 0.003 Å
• c: 14.632 ± 0.003 Å
• α: 63.675 ± 0.003°
• β: 70.505 ± 0.003°
• γ: 74.06 ± 0.003°
• Cell volume: 1958.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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