Information card for entry 2021940

Structure parameters

• Chemical name: <i>catena</i>-Poly[μ-aqua-bis[μ-5,5'-bis(1<i>H</i>-imidazol-1-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>']bis(μ~3~-4,4'-oxydibenzoato)-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'';κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>'-dicopper(II)]
• Formula: C42 H28 Cu2 N4 O11 S2
• Calculated formula: C42 H28 Cu2 N4 O11 S2
• Title of publication: One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bithiophene ligands
• Authors of publication: Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 1
• Pages of publication: 37 - 43
• a: 11.14 ± 0.003 Å
• b: 12.522 ± 0.004 Å
• c: 14.911 ± 0.005 Å
• α: 74.487 ± 0.005°
• β: 87.709 ± 0.005°
• γ: 79.511 ± 0.006°
• Cell volume: 1970.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes