Information card for entry 4084879

Structure parameters

• Formula: C99 H147 Cl3 N6 O6 Sm2
• Calculated formula: C99 H147 Cl3 N6 O6 Sm2
• SMILES: [Sm]12345[Cl][Sm]([Cl]1)([Cl]2)(Oc1c(CN2CC[N+](Cc6c(O3)c(cc(c6)C(C)(C)C)C(C)(C)C)=C2)cc(cc1C(C)(C)C)C(C)(C)C)(Oc1c(C[N+]2=CN(Cc3c(O4)c(cc(c3)C(C)(C)C)C(C)(C)C)CC2)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(CN2CC[N+](Cc3c(O5)c(cc(c3)C(C)(C)C)C(C)(C)C)=C2)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of Bimetallic Bis(phenolate) N-Heterocyclic Carbene Lanthanide Complexes and Their Applications in the Ring-Opening Polymerization ofl-Lactide
• Authors of publication: Zhang, Min; Ni, Xufeng; Shen, Zhiquan
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6861
• a: 21.2101 ± 0.0005 Å
• b: 16.0103 ± 0.0004 Å
• c: 32.8449 ± 0.0008 Å
• α: 90°
• β: 103.058 ± 0.003°
• γ: 90°
• Cell volume: 10865.1 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No