Information card for entry 7049485

Structure parameters

• Formula: C16 H12 Cd N8 S4
• Calculated formula: C16 H12 Cd N8 S4
• Title of publication: Bisimidazole-based phosphorescent thiocyanatocadmates.
• Authors of publication: Wang, Rong-Yan; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 5674 - 5682
• a: 5.8956 ± 0.0012 Å
• b: 9.1733 ± 0.0018 Å
• c: 10.02 ± 0.002 Å
• α: 102.52 ± 0.03°
• β: 90.96 ± 0.03°
• γ: 99.79 ± 0.03°
• Cell volume: 520.5 ± 0.2 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: 0.024
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No