Information card for entry 7220552

Structure parameters

• Formula: C50 H56 Cd2 N8 O14
• Calculated formula: C50 H48 Cd2 N8 O14
• Title of publication: One-dimensional water cages with repeat units of (H2O)24resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes
• Authors of publication: Maity, Kartik; Kundu, Tanay; Banerjee, Rahul; Biradha, Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 4439
• a: 10.149 ± 0.0005 Å
• b: 10.2936 ± 0.0005 Å
• c: 13.6107 ± 0.0007 Å
• α: 104.922 ± 0.004°
• β: 109.154 ± 0.005°
• γ: 95.153 ± 0.004°
• Cell volume: 1274.01 ± 0.12 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: 0.0411
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No