Information card for entry 7024525

Structure parameters

• Formula: C33 H33 Gd N4 O3
• Calculated formula: C33 H33 Gd N4 O3
• SMILES: [Gd]123456789%10([O]=C(N(C(=O)N2c2[n]1cccc2)c1ccccc1)Nc1ccccc1)([cH]1[cH]3[cH]4[cH]5[cH]%101)[cH]1[cH]6[cH]7[cH]8[cH]91.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: 9.811 ± 0.006 Å
• b: 11.851 ± 0.007 Å
• c: 26.149 ± 0.016 Å
• α: 90°
• β: 94.67 ± 0.007°
• γ: 90°
• Cell volume: 3030 ± 3 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: 0.0551
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No