Information card for entry 7713916

Structure parameters

• Formula: C21 H25 Cl Cu N3 O
• Calculated formula: C21 H25 Cl Cu N3 O
• 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: 14.3299 ± 0.0015 Å
• b: 9.6126 ± 0.001 Å
• c: 14.9035 ± 0.0016 Å
• α: 90°
• β: 90.387 ± 0.004°
• γ: 90°
• Cell volume: 2052.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No