Information card for entry 7022809

Structure parameters

• Formula: C42 H67 N4 Nd O3 Si2
• Calculated formula: C42 H67 N4 Nd O3 Si2
• SMILES: [Nd]1234(Oc5c(cc(cc5C(C)(C)C)C)C(C)(C)C)([O](CC[O]1C)C)N([Si](C)(C)C)C(=[N]2CCC[N]4=C(N3[Si](C)(C)C)c1ccccc1)c1ccccc1
• Title of publication: Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides.
• Authors of publication: Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5890 - 5901
• a: 9.0793 ± 0.0002 Å
• b: 14.3645 ± 0.0003 Å
• c: 33.6538 ± 0.0008 Å
• α: 90°
• β: 95.124 ± 0.002°
• γ: 90°
• Cell volume: 4371.58 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No