Information card for entry 7713912

Structure parameters

• Formula: C21 H25 Br Cu N3 O
• Calculated formula: C21 H25 Br 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: 14.5159 ± 0.0016 Å
• b: 9.889 ± 0.0011 Å
• c: 14.8049 ± 0.0016 Å
• α: 90°
• β: 91.637 ± 0.004°
• γ: 90°
• Cell volume: 2124.3 ± 0.4 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: 0.0473
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No