Information card for entry 1574685

Structure parameters

• Chemical name: 10-I-H2O
• Formula: C16 H38 I2 N2
• Calculated formula: C16 H38 I2 N2
• SMILES: C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[I-].[I-]
• Title of publication: Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores
• Authors of publication: Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 11530 - 11538
• a: 18.6422 ± 0.0008 Å
• b: 13.4664 ± 0.0005 Å
• c: 13.1607 ± 0.001 Å
• α: 90°
• β: 128.465 ± 0.001°
• γ: 90°
• Cell volume: 2586.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No