Information card for entry 7216794

Structure parameters

• Formula: C33 H24 Cl Mn0.5 N4
• Calculated formula: C33 H24 Cl Mn0.5 N4
• Title of publication: A Mn(ii) coordination framework incorporating the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand (NPy3): electrochemical and spectral properties
• Authors of publication: Hua, Carol; D'Alessandro, Deanna M.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 28
• Pages of publication: 6331
• a: 28.732 ± 0.0001 Å
• b: 13.5996 ± 0.0001 Å
• c: 17.575 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6867.32 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No