Information card for entry 7024409

Structure parameters

• Formula: C17 H26 N4 Ni O0.5
• Calculated formula: C17 H26 N4 Ni O0.5
• Title of publication: Electronic structure of the members of the electron transfer series [NiL](z) (z = 3+, 2+, 1+, 0) and [NiL(X)](n) (X = Cl, CO, P(OCH(3))(3)) species containing a tetradentate, redox-noninnocent, Schiff base macrocyclic ligand L: an experimental and density functional theoretical study.
• Authors of publication: Ghosh, Meenakshi; Weyhermüller, Thomas; Wieghardt, Karl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 1996 - 2007
• a: 8.5799 ± 0.0015 Å
• b: 9.3919 ± 0.0016 Å
• c: 10.7666 ± 0.0018 Å
• α: 83.57 ± 0.003°
• β: 70.279 ± 0.003°
• γ: 86.023 ± 0.004°
• Cell volume: 811.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.2731
• Weighted residual factors for all reflections included in the refinement: 0.2944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No