Information card for entry 7016712

Structure parameters

• Formula: C40 H68 N6 Nd2 Si4
• Calculated formula: C40 H68 N6 Nd2 Si4
• SMILES: c12C(c3[n]45[Nd]67([n]82c(C(c2[n]96c(C(C)(c6ccc(C(c4cc3)(C)C)[n]76[Nd]589N([Si](C)(C)C)[Si](C)(C)C)C)cc2)(C)C)cc1)N([Si](C)(C)C)[Si](C)(C)C)(C)C
• 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: 16.2452 ± 0.0011 Å
• b: 13.0806 ± 0.0009 Å
• c: 23.1275 ± 0.0016 Å
• α: 90°
• β: 106.2 ± 0.001°
• γ: 90°
• Cell volume: 4719.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No