Information card for entry 7214802

Structure parameters

• Formula: C11 H12 Mn N2 O8
• Calculated formula: C11 H12 Mn N2 O8
• Title of publication: Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position
• Authors of publication: Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7382
• a: 8.9885 ± 0.0003 Å
• b: 18.7361 ± 0.0006 Å
• c: 7.8637 ± 0.0003 Å
• α: 90°
• β: 98.878 ± 0.003°
• γ: 90°
• Cell volume: 1308.45 ± 0.08 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No