Information card for entry 2208561

Structure parameters

• Chemical name: Azido{4-bromo-2-[(2-diethylaminoethylimino)methyl]phenolato}nickel(II)
• Formula: C13 H18 Br N5 Ni O
• Calculated formula: C13 H18 Br N5 Ni O
• SMILES: [Ni]12(Oc3c(cc(Br)cc3)C=[N]1CC[N]2(CC)CC)N=N#N
• Title of publication: Azido{4-bromo-2-[(2-diethylaminoethylimino)methyl]phenolato}nickel(II)
• Authors of publication: You, Zhong-Lu; Han, Xiao; Wang, Jia; Niu, Shu-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m851 - m853
• a: 9.261 ± 0.001 Å
• b: 10.178 ± 0.001 Å
• c: 17.274 ± 0.002 Å
• α: 100.9 ± 0.01°
• β: 100.88 ± 0.01°
• γ: 93.66 ± 0.01°
• Cell volume: 1561.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes