Information card for entry 7242293

Structure parameters

• Formula: C26 H24 Cd Cl4 N6
• Calculated formula: C26 H24 Cd Cl4 N6
• SMILES: [Cd](Cl)(Cl)([Cl-])[Cl-].c1n(C)c([n+]2ccccc12)c1ccccn1.c1n(C)c([n+]2ccccc12)c1ccccn1
• 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: 7.5133 ± 0.0002 Å
• b: 15.9736 ± 0.0006 Å
• c: 22.5132 ± 0.0008 Å
• α: 90°
• β: 94.998 ± 0.003°
• γ: 90°
• Cell volume: 2691.64 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1411
• 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