Information card for entry 2005646

Structure parameters

• Chemical name: 7-methyladeninium trichloro-7-methyladeninezinc(II) hydrate
• Formula: C12 H17 Cl3 N10 O Zn
• Calculated formula: C12 H17 Cl3 N10 O Zn
• Title of publication: 7-Methyl-3-adeninium Trichloro(7-methyladenine-<i>N</i>^9^)zinc(II) Hydrate
• Authors of publication: Price, C. L.; Taylor, M. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2736 - 2738
• a: 7.214 ± 0.001 Å
• b: 16.437 ± 0.001 Å
• c: 16.18 ± 0.002 Å
• α: 90°
• β: 97.378 ± 0.005°
• γ: 90°
• Cell volume: 1902.7 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.035
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for all reflections: 2.903
• Goodness-of-fit parameter for significantly intense reflections: 2.959
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes