Information card for entry 7134351

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: 11.6416 ± 0.0004 Å
• b: 12.4211 ± 0.0004 Å
• c: 15.4172 ± 0.0005 Å
• α: 90°
• β: 94.557 ± 0.003°
• γ: 90°
• Cell volume: 2222.3 ± 0.13 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: 0.0328
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No