Information card for entry 2023288

Structure parameters

• Chemical name: Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridin-2-ium] tetrachloridocadmium(II)
• Formula: C26 H24 Cd Cl4 N6
• Calculated formula: C26 H24 Cd Cl4 N6
• SMILES: [Cd](Cl)(Cl)([Cl-])[Cl-].n1(c([n+]2c(c1)cccc2)c1ncccc1)C.n1(c([n+]2c(c1)cccc2)c1ncccc1)C
• Title of publication: Triclinic polymorph of bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium] tetrachloridocadmium(II)
• Authors of publication: Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Goreshnik, Evgeny A.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 1125 - 1129
• a: 9.6288 ± 0.0003 Å
• b: 11.5103 ± 0.0004 Å
• c: 13.0302 ± 0.0005 Å
• α: 78.734 ± 0.003°
• β: 81.153 ± 0.003°
• γ: 77.708 ± 0.003°
• Cell volume: 1374.33 ± 0.09 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0438
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No