Information card for entry 4079020

Structure parameters

• Formula: C44 H78 N3 Nd O3 Si2
• Calculated formula: C44 H77.8 N3 Nd O3 Si2
• 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: 15.2427 ± 0.0012 Å
• b: 28.788 ± 0.0019 Å
• c: 11.9569 ± 0.001 Å
• α: 90°
• β: 111.109 ± 0.002°
• γ: 90°
• Cell volume: 4894.7 ± 0.7 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: 0.0842
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No