Information card for entry 4305851

Structure parameters

• Formula: C24 H21 Er N4
• Calculated formula: C24 H21 Er N4
• SMILES: [Er]123456789%10([NH2]c%11ccccc%11c%11[n]1c(N2)c1c(n%11)cccc1)([cH]1[cH]6[cH]5[cH]4[cH]31)[cH]1[cH]%10[cH]9[cH]8[cH]71
• Title of publication: Facile Construction of a Novel Aminoquinazolinate Anionic Ligand through Organolanthanide-Mediated Intermolecular Nucleophilic Addition/Cyclization of Anthranilonitrile
• Authors of publication: Jie Zhang; Yanan Han; Fuyan Han; Zhenxia Chen; Linhong Weng; Xigeng Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5552 - 5554
• a: 31.88 ± 0.008 Å
• b: 31.88 ± 0.008 Å
• c: 10.801 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9507 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No