Information card for entry 7236758

Structure parameters

• Formula: C45 H42 Cu2 I2 N4 P2
• Calculated formula: C45 H42 Cu2 I2 N4 P2
• Title of publication: A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors
• Authors of publication: Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 24
• Pages of publication: 5962
• a: 8.9262 ± 0.0004 Å
• b: 18.4737 ± 0.0007 Å
• c: 13.1212 ± 0.0005 Å
• α: 90°
• β: 94.02 ± 0.002°
• γ: 90°
• Cell volume: 2158.36 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0529
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No