Information card for entry 4511973

Structure parameters

• Formula: C8 H8 Cd N5 O4
• Calculated formula: C8 H8 Cd N5 O4
• 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: 12.8331 ± 0.0019 Å
• b: 15.626 ± 0.002 Å
• c: 7.545 ± 0.0011 Å
• α: 90°
• β: 93.225 ± 0.003°
• γ: 90°
• Cell volume: 1510.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2496
• Weighted residual factors for all reflections included in the refinement: 0.2597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No