Information card for entry 7050170

Structure parameters

• Formula: C17 H12 Mn N2 O5
• Calculated formula: C17 H12 Mn N2 O5
• Title of publication: Synthesis and structure of a novel two-dimensional bilayer framework of a [M(C5O5)(dpe)] coordination polymer
• Authors of publication: Wang, Chih-Chieh; Lin, Hui-Wen; Yang, Cheng-Han; Liao, Chen-Hui; Lan, Ia-Ting; Lee, Gene-Hsiang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 180
• a: 15.7601 ± 0.0002 Å
• b: 8.9331 ± 0.0001 Å
• c: 22.1109 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3112.92 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No