Information card for entry 4307761

Structure parameters

• Formula: C51.2 H51.2 N13 Ni4 O12.9 S
• Calculated formula: C51.2 H38 N13 Ni4 O12.9 S
• Title of publication: Acetate/Di-2-pyridyl Ketone Oximate "Blend" as a Source of High-Nuclearity Nickel(II) Clusters: Dependence of the Nuclearity on the Nature of the Inorganic Anion Present
• Authors of publication: Theocharis C. Stamatatos; Eleanna Diamantopoulou; Catherine P. Raptopoulou; Vassilis Psycharis; Albert Escuer; Spyros P. Perlepes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2350 - 2352
• a: 16.39 ± 0.013 Å
• b: 15.295 ± 0.011 Å
• c: 14.013 ± 0.01 Å
• α: 73.92 ± 0.02°
• β: 69.26 ± 0.03°
• γ: 66.57 ± 0.03°
• Cell volume: 2976 ± 4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0828
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No