Information card for entry 7134347

Structure parameters

• Formula: C42 H46 Br3 Cu O P2
• Calculated formula: C42 H46 Br3 Cu O P2
• Title of publication: Halogen and solvent effects induced structural transformation and isostructural luminescence regulation in copper-based hybrid halides
• Authors of publication: Yang, Lin; Li, Yani; Liu, Xia; Li, Bohan; Xu, Yan
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 36
• Pages of publication: 6619 - 6622
• a: 10.1684 ± 0.0003 Å
• b: 23.201 ± 0.0006 Å
• c: 17.4735 ± 0.0005 Å
• α: 90°
• β: 105.108 ± 0.003°
• γ: 90°
• Cell volume: 3979.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No