Information card for entry 7239580

Structure parameters

• Formula: C11 H12 N4 O8 Zn2
• Calculated formula: C11 H12 N4 O8 Zn2
• 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: 7.8873 ± 0.0016 Å
• b: 8.7132 ± 0.0017 Å
• c: 11.451 ± 0.002 Å
• α: 83.47 ± 0.03°
• β: 80.19 ± 0.03°
• γ: 73.05 ± 0.03°
• Cell volume: 740 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1345
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No