Information card for entry 7228178

Structure parameters

• Formula: C28 H32 N8 O11 Sr
• Calculated formula: C28 H32 N8 O11 Sr
• SMILES: C(=O)(c1c(C(=O)O)[nH]c(Cc2cnccc2)n1)[O-].[Sr+2].O=CN(C)C.O.C(=O)(c1c(C(=O)O)[nH]c(Cc2cccnc2)n1)[O-].N(C=O)(C)C
• Title of publication: A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group
• Authors of publication: Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 14.2 ± 0.002 Å
• b: 14.2 ± 0.002 Å
• c: 17.207 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3469.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No