Information card for entry 7223487

Structure parameters

• Formula: C72 H48 Ag3 Fe2 I7 N12
• Calculated formula: C72 H48 Ag3 Fe2 I7 N12
• SMILES: c1ccc2c3[n]1[Fe]14([n]5cccc6ccc7ccc[n]1c7c56)([n]1cccc5ccc6ccc[n]4c6c15)[n]1cccc(cc2)c31.[I]([Ag](I)I)([Ag](I)I)[Ag](I)I.c1ccc2c3[n]1[Fe]14([n]5cccc6ccc7ccc[n]4c7c56)([n]4cccc(cc2)c34)[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures
• Authors of publication: Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 427
• a: 15.1612 ± 0.0016 Å
• b: 15.1612 ± 0.0016 Å
• c: 58.187 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11583 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No