Information card for entry 7713504

Structure parameters

• Formula: C22.5 H21 As Br Cu N2
• Calculated formula: C22.5 H21 As Br Cu N2
• Title of publication: Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands
• Authors of publication: Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.061 ± 0.0003 Å
• b: 17.999 ± 0.0008 Å
• c: 13.5485 ± 0.0007 Å
• α: 90°
• β: 92.962 ± 0.004°
• γ: 90°
• Cell volume: 2206.66 ± 0.17 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.1233
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No