Information card for entry 7112147

Structure parameters

• Formula: C65.63 H63.13 Ag2 Cd3 N3.88 O1.88 S8
• Calculated formula: C60 H50 Ag2 Cd3 N2 S8
• Title of publication: A semiconducting microporous framework of Cd6Ag4(SPh)16 clusters interlinked using rigid and conjugated bipyridines
• Authors of publication: Chao Xu; Niklas Hedin; Hua-Tian Shi; Qian-Feng Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3710
• a: 18.3203 ± 0.0002 Å
• b: 18.3203 ± 0.0002 Å
• c: 45.4431 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15252.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No