Information card for entry 4510720

Structure parameters

• Formula: C8 H11 Cl2 N5 Zn
• Calculated formula: C8 H11 Cl2 N5 Zn
• Title of publication: Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions
• Authors of publication: Mohapatra, Balaram; Verma, Sandeep
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2716
• a: 13.142 ± 0.005 Å
• b: 6.888 ± 0.005 Å
• c: 13.799 ± 0.005 Å
• α: 90 ± 0.005°
• β: 109.193 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1179.7 ± 1.1 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: 0.0407
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No