Information card for entry 7134348

Structure parameters

• Formula: C21 H22 Cu I2 P
• Calculated formula: C21 H22 Cu I2 P
• 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: 11.6293 ± 0.0003 Å
• b: 12.4221 ± 0.0003 Å
• c: 15.4045 ± 0.0004 Å
• α: 90°
• β: 94.582 ± 0.002°
• γ: 90°
• Cell volume: 2218.23 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No