Information card for entry 7713913

Structure parameters

• Formula: C22 H25 Cu N4 O S
• Calculated formula: C22 H25 Cu N4 O S
• Title of publication: Polymeric copper(I)–NHC complexes with bulky bidentate (N^C) ligands: synthesis and solid-state luminescence
• Authors of publication: Arruri, Sathyanarayana; Réveret, François; Jouffret, Laurent; Boyer, Damien; Chadeyron, Genevieve; Cisnetti, Federico
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.7265 ± 0.0016 Å
• b: 10.387 ± 0.0014 Å
• c: 18.401 ± 0.002 Å
• α: 90°
• β: 105.032 ± 0.004°
• γ: 90°
• Cell volume: 2164.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No