Information card for entry 4511968

Structure parameters

• Formula: C18 H26 Cl2 Cu N10 O14
• Calculated formula: C18 H26 Cl2 Cu N10 O14
• 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: 12.8 ± 0.005 Å
• b: 8.333 ± 0.005 Å
• c: 14.046 ± 0.005 Å
• α: 90 ± 0.005°
• β: 113.164 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1377.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No