Information card for entry 7016716

Structure parameters

• Formula: C55 H84 N6 Si4 Sm2
• Calculated formula: C54.5 H84 N6 Si4 Sm2
• Title of publication: Synthesis, structure and catalytic activity of alkali metal-free bent-sandwiched lanthanide amido complexes with calix[4]-pyrrolyl ligands.
• Authors of publication: Zhou, Shuangliu; Wu, Shihong; Zhu, Hong; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Yang, Gaosheng; Cui, Daohui; Wang, Hengyu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9447 - 9453
• a: 12.6353 ± 0.001 Å
• b: 29.185 ± 0.002 Å
• c: 19.4542 ± 0.0011 Å
• α: 90°
• β: 122.871 ± 0.004°
• γ: 90°
• Cell volume: 6025.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1467
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No