Information card for entry 4305185

Structure parameters

• Formula: C14 H17 N3 O
• Calculated formula: C14 H17 N3 O
• SMILES: c1cccc(CCN(CCc2ccccn2)O)n1
• Title of publication: Transition Metal Coordination Chemistry of N,N-Bis(2-{pyrid-2-ylethyl})hydroxylamine
• Authors of publication: Christopher W. Belock; Anil Çetin; Natalie V. Barone; Christopher J. Ziegler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7114 - 7120
• a: 5.8483 ± 0.0014 Å
• b: 14.582 ± 0.004 Å
• c: 15.155 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1292.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No