Information card for entry 7048394

Structure parameters

• Formula: C48 H36 Cu2 I2 N4 P2
• Calculated formula: C48 H36 Cu2 I2 N4 P2
• Title of publication: Highly luminescent copper(i) halide complexes chelated with a tetradentate ligand (PNNP): synthesis, structure, photophysical properties and theoretical studies.
• Authors of publication: Jia, Ji-Hui; Chen, Xu-Lin; Liao, Jian-Zhen; Liang, Dong; Yang, Ming-Xue; Yu, Rongmin; Lu, Can-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 1418 - 1426
• a: 12.2493 ± 0.0004 Å
• b: 13.0962 ± 0.0006 Å
• c: 17.011 ± 0.0007 Å
• α: 107.746 ± 0.004°
• β: 92.742 ± 0.003°
• γ: 114.186 ± 0.004°
• Cell volume: 2323.6 ± 0.2 ų
• Cell temperature: 100.01 ± 0.12 K
• Ambient diffraction temperature: 100.01 ± 0.12 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No