Information card for entry 4313050

Structure parameters

• Common name: Ni(EABOH~3~)Cl~2~
• Chemical name: Nickel(II) (N-2-hydroxyethyl-N,N-bis(1-propan-2-onyl oxime)amine) chloride
• Formula: C8 H17 Cl2 N3 Ni O3
• Calculated formula: C8 H17 Cl2 N3 Ni O3
• SMILES: [Ni]123(Cl)(Cl)[OH]CC[N]3(CC(=[N]1O)C)CC(=[N]2O)C
• Title of publication: Structural and Spectroscopic Studies of Nickel(II) Complexes with a Library of Bis(oxime)amine-Containing Ligands
• Authors of publication: Michael J. Goldcamp; Sara E. Edison; Leah N. Squires; Dell T. Rosa; Neil K. Vowels; Nathan L. Coker; Jeanette A. Krause Bauer; Michael J. Baldwin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 717 - 728
• a: 8.443 ± 0.0003 Å
• b: 12.1399 ± 0.0004 Å
• c: 12.8157 ± 0.0004 Å
• α: 90°
• β: 91.081 ± 0.001°
• γ: 90°
• Cell volume: 1313.34 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No