Information card for entry 7037675

Structure parameters

• Formula: C32 H39 Cd2 I N3 O14
• Calculated formula: C32 H22 Cd2 I N3 O14
• Title of publication: Halogen-bridged metal-organic frameworks constructed from bipyridinium-based ligand: structures, photochromism and non-destructive readout luminescence switching.
• Authors of publication: Yang, Xiao-Dong; Chen, Cheng; Zhang, Ya-Jun; Cai, Li-Xuan; Tan, Bin; Zhang, Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4522 - 4527
• a: 18.8813 ± 0.0005 Å
• b: 19.5703 ± 0.0006 Å
• c: 10.288 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3801.55 ± 0.19 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No