Information card for entry 7002592

Structure parameters

• Formula: C43 H63 Lu N2 Si2
• Calculated formula: C43 H63 Lu N2 Si2
• SMILES: [c]123cc(cc[c]41[c]15ccc(c[c]61[c]12CCN2C(=[Lu]34561(C[Si](C)(C)C)C[Si](C)(C)C)N(C=C2)c1c(cc(cc1C)C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Copolymerization of ethylene with norbornene catalyzed by cationic rare earth metal fluorenyl functionalized N-heterocyclic carbene complexes
• Authors of publication: Wang, Baoli; Tang, Tao; Li, Yuesheng; Cui, Dongmei
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 8963 - 8969
• a: 11.2455 ± 0.0006 Å
• b: 23.7372 ± 0.0012 Å
• c: 33.4091 ± 0.0017 Å
• α: 90°
• β: 92.517 ± 0.001°
• γ: 90°
• Cell volume: 8909.5 ± 0.8 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 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
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No