Information card for entry 7242294

Structure parameters

• Formula: C16 H18 Cd Cl4 N4
• Calculated formula: C16 H18 Cd Cl4 N4
• SMILES: c1n(C)c[n+]2ccccc12.c1n(C)c[n+]2ccccc12.[Cd](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Organic‒inorganic hybrid tetrachlorocadmates as promising fluorescent agents for cross-linked polyurethanes: synthesis, crystal structures and extended performance analysis
• Authors of publication: Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Lobko, Yevheniia V.; Linnik, Rostyslav P.; Kokozay, Vladimir N.; Skelton, Brian W.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 7713 - 7722
• a: 9.4184 ± 0.0003 Å
• b: 10.7646 ± 0.0004 Å
• c: 10.7332 ± 0.0004 Å
• α: 99.055 ± 0.003°
• β: 110.834 ± 0.004°
• γ: 90.861 ± 0.003°
• Cell volume: 1001.39 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No