Information card for entry 7024526

Structure parameters

• Common name: nsy
• Formula: C33 H33 Er N4 O3
• Calculated formula: C33 H33 Er N4 O3
• SMILES: [Er]123456789%10([n]%11c(N1C(=O)N(c1ccccc1)C(Nc1ccccc1)=[O]2)cccc%11)([cH]1[cH]3[cH]4[cH]5[cH]61)[cH]1[cH]7[cH]8[cH]9[cH]%101.O1CCCC1
• Title of publication: Isocyanate diinsertion into the N-H bond of the 2-pyridylamino ligand of organolanthanides.
• Authors of publication: Sun, Yan; Zhang, Zhengxing; Wang, Xu; Li, Xiaoqing; Weng, Linhong; Zhou, Xigeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 221 - 226
• a: 9.799 ± 0.003 Å
• b: 11.819 ± 0.003 Å
• c: 26.044 ± 0.008 Å
• α: 90°
• β: 94.795 ± 0.004°
• γ: 90°
• Cell volume: 3005.7 ± 1.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No