Information card for entry 7043826

Structure parameters

• Formula: C14 H10 Cd N6 S2
• Calculated formula: C14 H10 Cd N6 S2
• Title of publication: Cd(II)-based MOF as a photosensitive Schottky diode: experimental and theoretical studies
• Authors of publication: Halder, Shibashis; Dey, Arka; Bhattacharjee, Aradhita; Ortega-Castro, Joaquin; Frontera, Antonio; Ray, Partha Pratim; Roy, Partha
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 5.8851 ± 0.0004 Å
• b: 8.215 ± 0.0006 Å
• c: 10.0094 ± 0.0008 Å
• α: 69.796 ± 0.003°
• β: 73.995 ± 0.003°
• γ: 79.063 ± 0.003°
• Cell volume: 434.13 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No