Information card for entry 2022789

Structure parameters

• Common name: Bis(caffeinium) hexachloridoplatinum(IV)
• Chemical name: Bis(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-9-ium) hexachloridoplatinum(IV)
• Formula: C16 H22 Cl6 N8 O4 Pt
• Calculated formula: C16 H22 Cl6 N8 O4 Pt
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of bis(caffeinium) hexachloridoplatinum(IV) in comparison with some related compounds
• Authors of publication: Zagidullin, Karim A.; Novikov, Anton P.; Zelenina, Daria A.; Grigoriev, Mikhail S.; German, Konstantin E.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• a: 7.88 ± 0.0002 Å
• b: 8.1542 ± 0.0002 Å
• c: 10.5374 ± 0.0003 Å
• α: 95.784 ± 0.002°
• β: 91.525 ± 0.002°
• γ: 112.472 ± 0.001°
• Cell volume: 620.92 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes