Information card for entry 7250111

Structure parameters

• Formula: C9 H11 Br Cu N S2
• Calculated formula: C9 H11 Br Cu N S2
• Title of publication: Sunlight-driven photocatalytic degradation of organic dyes using Cu(i) coordination polymers: an efficient and recyclable solution for wastewater remediation
• Authors of publication: Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 2462 - 2469
• a: 18.7689 ± 0.0004 Å
• b: 8.6676 ± 0.0003 Å
• c: 14.2353 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2315.82 ± 0.11 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No