Information card for entry 4313048

Structure parameters

• Common name: Ni(PYRABOH~2~)Cl~2~
• Chemical name: Nickel(II) (N-methyl-2-pyridyl-N,N-bis(1-propan-2-onyl oxime)amine) chloride dihydrate
• Formula: C12 H22 Cl2 N4 Ni O4
• Calculated formula: C12 H22 Cl2 N4 Ni O4
• SMILES: [Ni]123([n]4ccccc4C[N]3(CC(=[N]1O)C)CC(=[N]2O)C)(Cl)Cl.O.O
• 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: 8.0043 ± 0.0002 Å
• b: 14.7734 ± 0.0003 Å
• c: 14.9036 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1762.36 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No