Information card for entry 7134352

Structure parameters

• Formula: C42 H45.25 Cu I3 O0.62 P2
• Calculated formula: C42 H45.246 Cu I3 O0.623 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: 10.1359 ± 0.0002 Å
• b: 23.6427 ± 0.0004 Å
• c: 17.8625 ± 0.0004 Å
• α: 90°
• β: 102.533 ± 0.002°
• γ: 90°
• Cell volume: 4178.57 ± 0.15 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: 0.0307
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• 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