Information card for entry 2243984

Structure parameters

• Chemical name: Poly[[μ~12~-4,4',4'',4'''-(benzene-1,2,4,5-tetrayl)tetrabenzoato](dimethylformamide)distrontium(II)]
• Formula: C40 H32 N2 O10 Sr2
• Calculated formula: C40 H32 N2 O10 Sr2
• SMILES: C(=O)(c1ccc(cc1)c1cc(c(c2ccc(C(=O)[O-])cc2)cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])[O-].[Sr+2].[Sr+2].N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Two metal–organic frameworks based on Sr^2+^ and 1,2,4,5-tetrakis(4-carboxyphenyl)benzene linkers
• Authors of publication: Usman, Muhammad; Ogebule, Lydia; Castañeda, Raúl; Oskolkov, Evgenii; Timofeeva, Tatiana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 12
• Pages of publication: 1243 - 1248
• a: 5.935 ± 0.0002 Å
• b: 18.613 ± 0.0008 Å
• c: 16.1256 ± 0.0007 Å
• α: 90°
• β: 91.853 ± 0.002°
• γ: 90°
• Cell volume: 1780.43 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes