Information card for entry 7016043

Structure parameters

• Formula: C91 H146 N6 O9.5 Sm2
• Calculated formula: C91 H102 N6 O9.5 Sm2
• Title of publication: Synthesis and molecular structure of piperazidine-bridged bis(phenolate) samarium(ii) complex and its reactivity to carbodiimides.
• Authors of publication: Du, Zhu; Zhang, Yong; Yao, Yingming; Shen, Qi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 29
• Pages of publication: 7639 - 7644
• a: 14.8914 ± 0.0016 Å
• b: 14.8306 ± 0.0015 Å
• c: 41.133 ± 0.005 Å
• α: 90°
• β: 96.82 ± 0.003°
• γ: 90°
• Cell volume: 9019.9 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.1394
• Residual factor for significantly intense reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.2115
• Weighted residual factors for all reflections included in the refinement: 0.232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No