Information card for entry 4312871

Structure parameters

• Chemical name: Bis[{N,N'-bis(salicylidene)-1,3-diaminopropane}manganese(III) thiocyanate]
• Formula: C18 H16 Mn N3 O2 S
• Calculated formula: C18 H16 Mn N3 O2 S
• Title of publication: Synthesis, Structure, and Magnetic Properties of [MnIII(salpn)NCS]n, a Helical Polymer, and the Dimer [MnIII(salpn)NCS]2. Weak Ferromagnetism in [MnIII(salpn)NCS]n Related to the Strong Magnetic Anisotropy in Jahn-Teller Mn(III) (salpnH2=N,N'-Bis(salicylidene)-1,3-diaminopropane)
• Authors of publication: S. Sailaja; K. Rajender Reddy; M. V. Rajasekharan; C. Hureau; E. Rivière; J. Cano; J.-J. Girerd
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 180 - 186
• a: 12.573 ± 0.003 Å
• b: 13.97 ± 0.007 Å
• c: 18.891 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3318 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No