Information card for entry 4349871

Structure parameters

• Formula: C34 H30 Cd N2 O6 S2
• Calculated formula: C34 H30 Cd N2 O6 S2
• Title of publication: Synthesis of a Cd(ii) based 1D coordination polymer by in situ ligand generation and fabrication of a photosensitive electronic device
• Authors of publication: Dutta, Basudeb; Jana, Rajkumar; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 1998
• a: 7.7317 ± 0.0003 Å
• b: 17.7115 ± 0.0008 Å
• c: 23.3846 ± 0.001 Å
• α: 90°
• β: 99.182 ± 0.002°
• γ: 90°
• Cell volume: 3161.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No