Information card for entry 4082484

Structure parameters

• Formula: C48 H69 Lu N4 O0 Si2
• Calculated formula: C48 H69 Lu N4 Si2
• SMILES: [Lu]12([N](c3c(cccc3C(C)C)C(C)C)=C(N1CCN1C=2N(C=C1)c1c(cc(cc1C)C)C)c1ccccc1)(C[Si](C)(C)C)C[Si](C)(C)C.c1(ccccc1)C
• Title of publication: Highly 3,4-Selective Living Polymerization of Isoprene and Copolymerization with ε-Caprolactone by an Amidino N-Heterocyclic Carbene Ligated Lutetium Bis(alkyl) Complex
• Authors of publication: Yao, Changguang; Liu, Dongtao; Li, Ping; Wu, Chunji; Li, Shihui; Liu, Bo; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 684
• a: 9.8891 ± 0.0004 Å
• b: 13.8203 ± 0.0006 Å
• c: 19.0595 ± 0.0008 Å
• α: 100.073 ± 0.001°
• β: 103.148 ± 0.001°
• γ: 95.077 ± 0.001°
• Cell volume: 2475.03 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No