Information card for entry 4313043

Structure parameters

• Common name: [Ni(PEABOH~2~)Cl]~2~(μ-Cl)~2~
• Chemical name: Nickel(II) (N-phenethyl-N,N-bis(1-propan-2-onyl oxime)amine) chloride
• Formula: C28 H42 Cl4 N6 Ni2 O4
• Calculated formula: C28 H42 Cl4 N6 Ni2 O4
• SMILES: C1C(C)=[N]([Ni]23([N]1(CC(C)=[N]2O)CCc1ccccc1)([Cl][Ni]12([N](=C(C[N]2(CC(C)=[N]1O)CCc1ccccc1)C)O)(Cl)[Cl]3)Cl)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: 8.4695 ± 0.0002 Å
• b: 10.2688 ± 0.0003 Å
• c: 10.5412 ± 0.0002 Å
• α: 111.407 ± 0.001°
• β: 100.985 ± 0.001°
• γ: 94.575 ± 0.001°
• Cell volume: 826.64 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No