Information card for entry 7214804

Structure parameters

• Formula: C47 H30 Cd2 N8 O11
• Calculated formula: C47 H26 Cd2 N8 O11
• 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: 21.363 ± 0.002 Å
• b: 10.5184 ± 0.0011 Å
• c: 20.465 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4598.6 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No