Information card for entry 7052216

Structure parameters

• Formula: C11 H15.5 Cd1.5 N5 O5.75
• Calculated formula: C11 H14 Cd1.5 N5 O5.75
• Title of publication: The first 2D trinuclear Cd(ii)-complex with adenine nucleobase: hydrothermal synthesis, crystal structure and fluorescent properties
• Authors of publication: Yang, En-Cui; Zhao, Hong-Kun; Ding, Bin; Wang, Xiu-Guang; Zhao, Xiao-Jun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 1887
• a: 9.25 ± 0.002 Å
• b: 12.011 ± 0.003 Å
• c: 14.326 ± 0.004 Å
• α: 90°
• β: 92.618 ± 0.003°
• γ: 90°
• Cell volume: 1590 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No