Information card for entry 7214808

Structure parameters

• Formula: C12 H10 Co1.5 N2 O8
• Calculated formula: C12 H15 Co1.5 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: 24.3529 ± 0.0009 Å
• b: 24.3529 ± 0.0009 Å
• c: 14.2468 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7317.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No