Information card for entry 1571018

Structure parameters

• Formula: C40 H40 Cl4 P2 Zn
• Calculated formula: C40 H40 Cl4 P2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[P+](c1ccccc1)(CC)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC
• Title of publication: Realizing efficient broadband near-infrared emission and multimode photoluminescence switching <i>via</i> coordination structure modulation in Sb³⁺-doped 0D organic metal chlorides.
• Authors of publication: Yu, Shuiyue; Peng, Hui; Wei, Qilin; Li, Tongzhou; Huang, Weiguo; He, Xuefei; Du, Zhentao; Zhao, Jialong; Zou, Bingsuo
• Journal of publication: Materials horizons
• Year of publication: 2024
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2230 - 2241
• a: 12.18 ± 0.002 Å
• b: 20.741 ± 0.003 Å
• c: 16.353 ± 0.003 Å
• α: 90°
• β: 110.644 ± 0.003°
• γ: 90°
• Cell volume: 3865.9 ± 1.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No