Information card for entry 7242556

Structure parameters

• Formula: C22 H18 Cd N2 O5.5
• Calculated formula: C22 H16 Cd N2 O5.5
• Title of publication: Donor‒acceptor structure of a coordination polymer with long-lived room temperature phosphorescence and angle-dependent polarized emission
• Authors of publication: Qin, Wen-Jing; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Xiao-Gang; Guo, Yu-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 3094 - 3098
• a: 10.1841 ± 0.0003 Å
• b: 9.5035 ± 0.0004 Å
• c: 21.6676 ± 0.0011 Å
• α: 90°
• β: 91.787 ± 0.004°
• γ: 90°
• Cell volume: 2096.07 ± 0.15 ų
• Cell temperature: 288.63 ± 0.1 K
• Ambient diffraction temperature: 288.63 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No