Information card for entry 7059609

Structure parameters

• Common name: AB124
• Formula: C10 H14 Br3 Cu N4 S
• Calculated formula: C10 H14 Br3 Cu N4 S
• SMILES: Br[Cu]([Br-])[Br-].S1c2[n+](ccn2CCn2c1[n+](cc2)C)C
• Title of publication: Synthesis and dye adsorption studies of the {dibromo(1,1′-(1,2-ethanediyl)bis(3-methyl-imidazole-2-thione)dicopper(i)}n polymer and its conversion to CuO nanospheres for photocatalytic and antibacterial applications
• Authors of publication: Beheshti, Azizolla; Mousavifard, Elham Sadat; Zargar, Behrooz; Mayer, Peter; Rezatofighi, Seyedeh Elham
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 8520 - 8537
• a: 12.885 ± 0.0004 Å
• b: 7.0118 ± 0.0002 Å
• c: 18.0443 ± 0.0006 Å
• α: 90°
• β: 103.201 ± 0.001°
• γ: 90°
• Cell volume: 1587.17 ± 0.09 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• 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: 0.033
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No