Information card for entry 2243026

Structure parameters

• Chemical name: Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridin-2-ium] tetraiodocadmate
• Formula: C26 H24 Cd I4 N6
• Calculated formula: C26 H24 Cd I4 N6
• SMILES: [Cd](I)(I)([I-])[I-].c1n(C)c([n+]2ccccc12)c1ncccc1.c1n(C)c([n+]2ccccc12)c1ncccc1
• Title of publication: Crystal structures of an imidazo[1,5-<i>a</i>]pyridinium-based ligand and its (C~13~H~12~N~3~)~2~[CdI~4~] hybrid salt
• Authors of publication: Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1209 - 1214
• a: 17.2718 ± 0.0002 Å
• b: 16.653 ± 0.0001 Å
• c: 22.4402 ± 0.0002 Å
• α: 90°
• β: 108.922 ± 0.001°
• γ: 90°
• Cell volume: 6105.62 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes