Information card for entry 7239579

Structure parameters

• Formula: C14 H18 N8 O6 Zn
• Calculated formula: C14 H18 N8 O6 Zn
• Title of publication: In vitro controlled release of theophylline from metal‒drug complexes
• Authors of publication: Wang, Hao; Hu, Tong-Liang; Wen, Rong-Mei; Wang, Qian; Bu, Xian-He
• Journal of publication: Journal of Materials Chemistry B
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 32
• Pages of publication: 3879
• a: 9.1313 ± 0.0018 Å
• b: 8.1896 ± 0.0016 Å
• c: 24.073 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1800.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No