Information card for entry 7249007

Structure parameters

• Formula: C24 H18 Cl8 Hg3 N8
• Calculated formula: C24 H18 Cl8 Hg3 N8
• Title of publication: Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
• Authors of publication: Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 33
• Pages of publication: 4418 - 4430
• a: 14.6958 ± 0.0004 Å
• b: 8.2297 ± 0.0002 Å
• c: 13.5675 ± 0.0003 Å
• α: 90°
• β: 101.382 ± 0.003°
• γ: 90°
• Cell volume: 1608.61 ± 0.07 ų
• Cell temperature: 294.97 ± 0.1 K
• Ambient diffraction temperature: 294.97 ± 0.1 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: 0.0553
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No