Information card for entry 4313044

Structure parameters

• Common name: [Ni(OBOH~2~)Cl]~2~(μ-Cl)~2~
• Chemical name: Nickel(II) (N-n-octyl-N,N-bis(1-propan-2-onyl oxime)amine) chloride
• Formula: C28 H58 Cl4 N6 Ni2 O4
• Calculated formula: C28 H58 Cl4 N6 Ni2 O4
• SMILES: C1C(C)=[N](O)[Ni]23([N](=C(C[N]12CCCCCCCC)C)O)(Cl)[Cl][Ni]12([N](=C(C[N]2(CC(C)=[N]1O)CCCCCCCC)C)O)(Cl)[Cl]3
• 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: 23.8527 ± 0.001 Å
• b: 14.0684 ± 0.0006 Å
• c: 11.7874 ± 0.0005 Å
• α: 90°
• β: 90.715 ± 0.001°
• γ: 90°
• Cell volume: 3955.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No