Information card for entry 7714218

Structure parameters

• Formula: C20 H15 Cd N3 O7
• Calculated formula: C20 H15 Cd N3 O7
• Title of publication: Electron density effect of aromatic carboxylic acids in naphthalenediimide-based coordination polymers: from thermal electron transfer and charge transfer to photoinduced electron transfer
• Authors of publication: Li, Gao-Peng; Zhang, Jing; Ren, Wan-Wan; Wang, Si-Nan; Wang, Ying-Xia; Fu, Yunlong; Wang, Yao-Yu
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.6549 ± 0.0007 Å
• b: 10.477 ± 0.0008 Å
• c: 10.7029 ± 0.0008 Å
• α: 98.353 ± 0.002°
• β: 113.11 ± 0.001°
• γ: 96.38 ± 0.002°
• Cell volume: 968.24 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No