Information card for entry 2312354

Structure parameters

• Formula: C40 H52 Cd3 Cl2 N4 O10
• Calculated formula: C40 H52 Cd3 Cl2 N4 O10
• Title of publication: Design and synthesis of diverse Cd²⁺/Zn²⁺/Cu²⁺ coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.
• Authors of publication: Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 6
• a: 9.7566 ± 0.0007 Å
• b: 10.8671 ± 0.0008 Å
• c: 11.8861 ± 0.0009 Å
• α: 67.067 ± 0.001°
• β: 78.948 ± 0.001°
• γ: 66.83 ± 0.001°
• Cell volume: 1065.92 ± 0.14 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.025
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes