Information card for entry 4511971

Structure parameters

• Formula: C8 H12 Cd Cl2 N6 O6
• Calculated formula: C8 H12 Cd Cl2 N6 O6
• Title of publication: Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant
• Authors of publication: Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 5042
• a: 7.2795 ± 0.0018 Å
• b: 9.856 ± 0.003 Å
• c: 10.962 ± 0.003 Å
• α: 82.736 ± 0.004°
• β: 81.059 ± 0.004°
• γ: 78.575 ± 0.004°
• Cell volume: 757.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No