Information card for entry 7206329

Structure parameters

• Formula: C22 H26 N4 O14 Sr
• Calculated formula: C22 H26 N4 O14 Sr
• SMILES: C(=O)([O-])c1c(C(=O)O)nc(c2ccccc2)[nH]1.[Sr]([OH2])([OH2])([OH2])[OH2].C(=O)(c1c(C(=O)O)nc(c2ccccc2)[nH]1)[O-].O.O
• Title of publication: 2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions
• Authors of publication: Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 4895
• a: 27.28 ± 0.003 Å
• b: 31.413 ± 0.004 Å
• c: 6.6156 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5669.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No