Information card for entry 7713971

Structure parameters

• Formula: C24 H23 Cl Cu N S4
• Calculated formula: C24 H23 Cl Cu N S4
• Title of publication: Solvatochromic behaviour of cyclic dithioether-functionalized triphenylamine ligands and their mechano-responsive Cu(I) coordination polymers
• Authors of publication: Pandey, Dilip; Singh, Gopal; Mishra, Shivendu; Viau, Lydie; Knorr, Michael; Raghuvanshi, Abhinav
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.141 ± 0.0005 Å
• b: 10.4411 ± 0.0009 Å
• c: 13.0328 ± 0.0008 Å
• α: 100.066 ± 0.006°
• β: 103.938 ± 0.005°
• γ: 95.714 ± 0.006°
• Cell volume: 1175.54 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1045
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No