Information card for entry 7007917

Structure parameters

• Formula: C50 H43 Mn4 N13 O17
• Calculated formula: C50 H38 Mn4 N13 O17
• Title of publication: Di-2-pyridyl ketone oxime [(py)2CNOH] in manganese carboxylate chemistry: mononuclear, dinuclear and tetranuclear complexes, and partial transformation of (py)2CNOH to the gem-diolate(2-) derivative of di-2-pyridyl ketone leading to the formation of NO3-.
• Authors of publication: Milios, Constantinos J.; Kyritsis, Panayotis; Raptopoulou, Catherine P.; Terzis, Aris; Vicente, Ramon; Escuer, Albert; Perlepes, Spyros P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 3
• Pages of publication: 501 - 511
• a: 14.25 ± 0.01 Å
• b: 19.79 ± 0.02 Å
• c: 10.365 ± 0.009 Å
• α: 90°
• β: 93.18 ± 0.03°
• γ: 90°
• Cell volume: 2919 ± 4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No