Information card for entry 4079018

Structure parameters

• Formula: C44 H78 N3 O3 Si2 Sm
• Calculated formula: C44 H78 N3 O3 Si2 Sm
• SMILES: [Sm]123(N([Si](C)(C)C)[Si](C)(C)C)(Oc4c(cc(cc4C[N]42CC[N]3(CC4)Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[O]1CCCC1
• Title of publication: Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides
• Authors of publication: Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3499
• a: 15.1517 ± 0.0018 Å
• b: 28.82 ± 0.004 Å
• c: 11.9193 ± 0.0015 Å
• α: 90°
• β: 110.833 ± 0.004°
• γ: 90°
• Cell volume: 4864.5 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0837
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No