Information card for entry 7251436

Structure parameters

• Formula: C39 H39 Cl Cu N3 O5 P2
• Calculated formula: C39 H39 Cl Cu N3 O5 P2
• Title of publication: Tricolor Reversible Luminescence Switching of a Mechano-/Vapochromic Mononuclear Cu(I) Complex
• Authors of publication: Mao, Zhen; Li, Hai-Jian; He, Xue; Liu, Sui-Jun; Wen, He-Rui; He, Li-Hua; Chen, Jing-Lin
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 20.8314 ± 0.0018 Å
• b: 17.0911 ± 0.0016 Å
• c: 22.858 ± 0.003 Å
• α: 90°
• β: 105.845 ± 0.01°
• γ: 90°
• Cell volume: 7828.9 ± 1.5 ų
• Cell temperature: 270.5 ± 0.3 K
• Ambient diffraction temperature: 270.5 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.198
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No