Information card for entry 7239994

Structure parameters

• Formula: C16 H20 N5 O3
• Calculated formula: C16 H20 N5 O3
• SMILES: O=[N]1C(=N(=O)C(C1(C)C)(C)C)c1ccc(OCn2cncn2)cc1
• Title of publication: A nitronyl nitroxide and its two 1D chain Cu‒Tb complexes: synthesis, structures, and magnetic properties
• Authors of publication: Yang, Meng; Liang, Xiaohong; Zhang, Yandie; Ouyang, Zhijian; Dong, Wen
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 8490 - 8496
• a: 9.2257 ± 0.0018 Å
• b: 16.713 ± 0.003 Å
• c: 21.02 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3241.1 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No