Information card for entry 4315378

Structure parameters

• Formula: C12 H14 Mn N3 O6
• Calculated formula: C12 H12 Mn N3 O6
• Title of publication: Four Novel Frameworks Built by Imidazole-Based Dicarboxylate Ligands: Hydro(Solvo)thermal Synthesis, Crystal Structures, and Properties
• Authors of publication: Fuwei Zhang; Zifeng Li; Tiezhu Ge; Hongchang Yao; Gang Li; Huijie Lu; Yanyan Zhu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3776 - 3788
• a: 13.067 ± 0.003 Å
• b: 8.5169 ± 0.0017 Å
• c: 13.984 ± 0.003 Å
• α: 90°
• β: 116.762 ± 0.002°
• γ: 90°
• Cell volume: 1389.6 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No