Information card for entry 1512703

Structure parameters

• Formula: C9 H7 Mn N O4
• Calculated formula: C9 H7 Mn N O4
• Title of publication: Synthesis, crystal structures and properties of two complexes constructed from in situ-generated new ligands
• Authors of publication: Hai-Jun Xu; Li Xu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 140 - 145
• a: 14.637 ± 0.003 Å
• b: 7.5356 ± 0.0015 Å
• c: 8.7567 ± 0.0018 Å
• α: 90°
• β: 101.04 ± 0.03°
• γ: 90°
• Cell volume: 948 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No