Information card for entry 4313049

Structure parameters

• Common name: Ni(PAMABPOH~3~)Cl~2~
• Chemical name: Nickel(II) (N,N-bis(1-acetophenone oxime)-L-phenylalanine N'-methylamide) chloride ethanol solvate
• Formula: C28 H34 Cl2 N4 Ni O4
• Calculated formula: C28 H34 Cl2 N4 Ni O4
• SMILES: [Ni]123(Cl)(Cl)[O]=C(NC)[C@@H]([N]3(CC(=[N]1O)c1ccccc1)CC(=[N]2O)c1ccccc1)Cc1ccccc1.OCC
• 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: 7.9618 ± 0.0003 Å
• b: 16.6749 ± 0.0006 Å
• c: 11.0062 ± 0.0004 Å
• α: 90°
• β: 100.249 ± 0.001°
• γ: 90°
• Cell volume: 1437.89 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No