Information card for entry 7226544

Structure parameters

• Chemical name: [Mn(4-Apha)2]
• Formula: C14 H14 Mn N4 O4
• Calculated formula: C14 H14 Mn N4 O4
• Title of publication: Temperature-induced single-crystal-to-single-crystal transformation of a binuclear Mn(II) complex into a 1D chain polymer
• Authors of publication: Jiang, Peng; Peng, Fen; Chen, Yanmei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.6392 ± 0.0014 Å
• b: 17.209 ± 0.003 Å
• c: 6.7442 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1466.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No