Information card for entry 4305853

Structure parameters

• Formula: C48 H58 Er2 N8
• Calculated formula: C48 H58 Er2 N8
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Er]16789%102345([cH]2[cH]1[cH]6[cH]7[cH]92)[N](=C(N8C(C)C)NC(C)C)c1ccccc1C#[N][Er]123456789([cH]%11[cH]4[cH]3[cH]2[cH]1%11)([cH]1[cH]5[cH]6[cH]7[cH]91)[N](=C(N8C(C)C)NC(C)C)c1ccccc1C#[N]%10
• 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: 15.743 ± 0.005 Å
• b: 18.357 ± 0.005 Å
• c: 16.754 ± 0.005 Å
• α: 90°
• β: 108.508 ± 0.006°
• γ: 90°
• Cell volume: 4591 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0653
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No